#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfq n GLN 3 N 0.00 2.39 -2.63 2.61 1.13 -1.26 -4.95 117.38 114.67 1kfq n GLN 3 Ca 0.00 0.87 -0.42 0.00 -1.94 0.00 0.00 57.00 55.50 1kfq n GLN 3 Cb 0.00 -2.68 -0.03 0.00 0.11 0.00 0.00 30.24 27.64 1kfq n GLN 3 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1kfq s VAL 4 N 1.46 4.65 0.10 5.09 1.01 -1.26 -4.67 120.40 126.78 1kfq s VAL 4 Ca 0.79 1.91 -0.31 0.00 0.00 0.00 0.00 61.98 64.37 1kfq s VAL 4 Cb -0.61 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 31.46 1kfq s VAL 4 CO 0.37 0.11 1.61 -0.63 0.00 0.00 0.00 175.10 176.56 1kfq s ILE 5 N 1.31 2.92 1.20 2.22 1.01 0.20 -4.98 121.20 125.08 1kfq s ILE 5 Ca 0.53 0.50 -0.13 0.00 0.00 0.00 0.00 60.65 61.55 1kfq s ILE 5 Cb -0.22 -3.32 0.30 0.00 0.01 0.00 0.00 42.46 39.23 1kfq s ILE 5 CO 0.26 0.01 0.99 -2.65 0.00 0.00 0.00 174.94 173.55 1kfq n PRO 6 N 4.94 -2.68 -2.52 2.79 -0.02 -1.26 -2.57 135.00 133.69 1kfq n PRO 6 Ca 0.15 -0.75 -0.36 0.00 -2.02 0.00 0.00 63.50 60.52 1kfq n PRO 6 Cb 0.40 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 1kfq n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kfq s ALA 7 N -2.38 3.02 0.80 3.55 0.00 -1.25 -4.29 121.76 121.20 1kfq s ALA 7 Ca 0.69 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.18 1kfq s ALA 7 Cb -0.26 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 1kfq s ALA 7 CO 0.66 -0.28 -0.01 -2.30 0.00 0.00 0.00 175.76 173.83 1kfq n PRO 8 N -0.34 0.06 -3.81 0.00 -0.02 -1.26 -4.82 135.00 124.81 1kfq n PRO 8 Ca 0.06 0.04 -0.13 0.00 -2.02 0.00 0.00 63.50 61.45 1kfq n PRO 8 Cb 0.50 -1.42 -0.14 0.00 -0.02 0.00 0.00 33.50 32.41 1kfq n PRO 8 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1kfq s ARG 9 N -2.32 0.04 0.40 -0.52 3.00 0.25 -4.97 118.95 114.83 1kfq s ARG 9 Ca 0.55 0.17 -0.24 0.00 -1.00 0.00 0.00 55.73 55.21 1kfq s ARG 9 Cb -0.31 -0.09 -0.09 0.00 0.00 0.00 0.00 34.95 34.46 1kfq s ARG 9 CO 0.68 -0.09 1.09 0.08 0.00 0.00 0.00 175.30 177.06 1kfq s VAL 10 N 0.57 3.53 -0.08 7.11 1.01 -1.26 -1.37 120.40 129.91 1kfq s VAL 10 Ca -0.05 1.20 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 1kfq s VAL 10 Cb -0.06 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1kfq s VAL 10 CO -0.02 0.04 0.00 -1.58 0.00 0.00 0.00 175.10 173.54 1kfq s GLN 11 N -2.44 0.65 0.48 2.72 2.00 -0.56 -4.93 119.66 117.58 1kfq s GLN 11 Ca 0.58 0.05 -0.21 0.00 -2.00 0.00 0.00 55.36 53.77 1kfq s GLN 11 Cb -0.25 -1.10 -0.08 0.00 0.80 0.00 0.00 33.01 32.39 1kfq s GLN 11 CO 0.31 -0.33 1.09 0.08 -0.50 0.00 0.00 175.29 175.94 1kfq s VAL 12 N 1.95 3.48 0.09 1.34 1.01 -1.26 -1.86 120.40 125.15 1kfq s VAL 12 Ca 0.05 0.99 -0.13 0.00 0.00 0.00 0.00 61.98 62.89 1kfq s VAL 12 Cb -0.13 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1kfq s VAL 12 CO -0.06 -0.13 0.30 0.28 0.00 0.00 0.00 175.10 175.49 1kfq s THR 13 N -1.78 0.10 -0.13 3.92 -1.32 -0.10 -4.91 115.64 111.41 1kfq s THR 13 Ca 0.66 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 60.32 1kfq s THR 13 Cb -0.22 -1.19 -0.01 0.00 -1.51 0.00 0.00 72.50 69.58 1kfq s THR 13 CO 0.26 -0.46 -0.14 -1.58 -2.21 0.00 0.00 174.62 170.49 1kfq s GLN 14 N -3.57 3.33 1.07 7.08 0.74 -1.26 -4.24 119.66 122.81 1kfq s GLN 14 Ca 0.02 -0.71 -0.21 0.00 0.05 0.00 0.00 55.36 54.51 1kfq s GLN 14 Cb 0.02 -2.61 0.02 0.00 1.10 0.00 0.00 33.01 31.55 1kfq s GLN 14 CO -0.10 0.18 -0.45 -2.30 -0.55 0.00 0.00 175.29 172.07 1kfq n PRO 15 N 3.61 -1.18 -4.10 1.67 -0.02 -1.24 -5.02 135.00 128.73 1kfq n PRO 15 Ca -0.18 -0.34 -0.15 0.00 -2.02 0.00 0.00 63.50 60.81 1kfq n PRO 15 Cb 0.53 -1.46 -0.15 0.00 -0.02 0.00 0.00 33.50 32.40 1kfq n PRO 15 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1kfq s TYR 16 N -2.15 0.39 0.59 6.00 2.02 -1.25 -5.10 117.35 117.86 1kfq s TYR 16 Ca 0.48 -0.07 -0.04 0.00 -0.37 0.00 0.00 57.07 57.07 1kfq s TYR 16 Cb -0.04 -0.27 0.03 0.00 -0.40 0.00 0.00 41.96 41.27 1kfq s TYR 16 CO 0.63 -0.02 0.87 0.00 -1.57 0.00 0.00 175.55 175.46 1kfq s ALA 17 N 0.01 3.45 0.00 3.71 0.00 -1.26 -4.33 121.76 123.33 1kfq s ALA 17 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1kfq s ALA 17 Cb -0.03 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1kfq s ALA 17 CO -0.00 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1kfq n GLY 18 N -2.55 2.94 3.03 0.00 0.00 -1.26 -4.92 105.19 102.42 1kfq n GLY 18 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1kfq n GLY 18 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kfq n GLN 19 N -2.00 1.73 -4.01 1.61 6.02 -1.26 -4.83 117.38 114.63 1kfq n GLN 19 Ca 0.00 -1.96 -0.33 0.00 -0.01 0.00 0.00 57.00 54.69 1kfq n GLN 19 Cb 0.00 -2.97 -0.15 0.00 1.02 0.00 0.00 30.24 28.14 1kfq n GLN 19 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1kfq s LYS 20 N 4.70 2.47 0.35 -1.09 2.20 -1.26 -4.59 119.74 122.51 1kfq s LYS 20 Ca 0.56 -1.21 -0.28 0.00 -0.36 0.00 0.00 55.97 54.68 1kfq s LYS 20 Cb 0.14 -2.95 -0.10 0.00 -1.51 0.00 0.00 37.83 33.42 1kfq s LYS 20 CO 0.08 -0.52 1.24 -2.14 -0.36 0.00 0.00 175.35 173.66 1kfq s PRO 21 N 1.20 4.30 0.00 4.03 0.02 -1.26 -4.70 135.00 138.59 1kfq s PRO 21 Ca -0.05 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.02 1kfq s PRO 21 Cb -0.19 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1kfq s PRO 21 CO -0.05 -0.18 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 1kfq n GLY 22 N 0.82 0.60 0.13 0.52 0.00 -1.13 -4.87 105.19 101.27 1kfq n GLY 22 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1kfq n GLY 22 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1kfq h THR 23 N 0.00 0.96 -0.17 2.61 1.35 -1.98 -3.34 112.91 112.35 1kfq h THR 23 Ca 0.00 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 1kfq h THR 23 Cb 0.00 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1kfq h THR 23 CO 0.00 0.79 0.00 -1.20 -0.25 0.00 0.00 175.52 174.86 1kfq n SER 24 N -3.75 2.11 0.00 5.36 7.64 -1.26 -4.95 113.62 118.77 1kfq n SER 24 Ca -0.25 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 57.87 1kfq n SER 24 Cb 0.99 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 1kfq n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kfq n GLY 25 N 1.23 -1.45 3.73 0.23 0.00 -1.26 -4.69 105.19 102.99 1kfq n GLY 25 Ca 0.17 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 1kfq n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kfq s LEU 26 N 0.00 4.45 -0.18 0.99 2.96 -0.95 -2.83 118.68 123.12 1kfq s LEU 26 Ca 0.00 1.64 -0.05 0.00 -0.22 0.00 0.00 54.13 55.50 1kfq s LEU 26 Cb 0.00 -3.45 0.07 0.00 0.50 0.00 0.00 46.19 43.30 1kfq s LEU 26 CO 0.00 -0.08 0.11 -0.13 -1.32 0.00 0.00 176.35 174.93 1kfq s ARG 27 N 0.22 0.09 0.20 1.98 0.52 -1.26 -2.25 118.95 118.44 1kfq s ARG 27 Ca 0.45 -0.06 0.04 0.00 -0.52 0.00 0.00 55.73 55.64 1kfq s ARG 27 Cb -0.22 -1.69 -0.05 0.00 0.52 0.00 0.00 34.95 33.51 1kfq s ARG 27 CO 0.27 -0.69 -0.05 0.15 0.02 0.00 0.00 175.30 175.00 1kfq s LYS 28 N 2.17 1.23 0.30 3.54 -0.14 -1.02 -4.98 119.74 120.85 1kfq s LYS 28 Ca 0.03 -1.58 -0.29 0.00 -1.36 0.00 0.00 55.97 52.77 1kfq s LYS 28 Cb -0.16 -0.66 -0.10 0.00 -1.68 0.00 0.00 37.83 35.24 1kfq s LYS 28 CO -0.11 -0.01 1.26 0.15 -0.76 0.00 0.00 175.35 175.88 1kfq s LYS 29 N -3.80 4.43 0.35 1.68 -0.14 -1.26 -0.16 119.74 120.83 1kfq s LYS 29 Ca 0.23 2.10 0.16 0.00 -1.36 0.00 0.00 55.97 57.10 1kfq s LYS 29 Cb 0.04 -3.12 1.15 0.00 -1.68 0.00 0.00 37.83 34.22 1kfq s LYS 29 CO 0.05 -0.10 1.64 0.28 -0.76 0.00 0.00 175.35 176.46 1kfq h VAL 30 N 3.15 0.21 -0.21 3.17 2.07 -0.84 -0.57 116.25 123.24 1kfq h VAL 30 Ca -0.48 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1kfq h VAL 30 Cb 1.22 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1kfq h VAL 30 CO 0.68 0.04 0.10 0.77 0.02 0.00 0.00 177.57 179.18 1kfq h SER 31 N 0.23 0.15 0.19 0.57 4.64 -1.82 -2.05 113.55 115.46 1kfq h SER 31 Ca 0.76 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.96 1kfq h SER 31 Cb 1.82 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.88 1kfq h SER 31 CO -0.66 0.11 -0.50 -0.08 -0.87 0.00 0.00 176.83 174.84 1kfq h GLU 32 N 0.21 0.36 0.00 4.77 4.81 -1.50 -3.20 114.58 120.03 1kfq h GLU 32 Ca 0.08 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1kfq h GLU 32 Cb 0.02 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1kfq h GLU 32 CO -0.06 0.78 0.00 0.00 -0.73 0.00 0.00 179.01 179.00 1kfq h ALA 33 N 1.19 1.00 -0.11 2.92 0.00 -1.15 -3.12 119.26 119.99 1kfq h ALA 33 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kfq h ALA 33 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1kfq h ALA 33 CO 0.08 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.58 1kfq n THR 34 N -2.82 0.13 -1.56 0.00 -2.24 -0.79 -4.10 114.28 102.90 1kfq n THR 34 Ca 0.03 -0.42 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 1kfq n THR 34 Cb 0.42 0.84 0.07 0.00 -2.10 0.00 0.00 70.33 69.56 1kfq n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfq n GLN 35 N 0.76 0.79 -1.68 -0.78 6.02 -1.18 -4.83 117.38 116.47 1kfq n GLN 35 Ca 0.17 0.32 -0.46 0.00 -0.01 0.00 0.00 57.00 57.02 1kfq n GLN 35 Cb 0.46 -2.23 -0.04 0.00 1.02 0.00 0.00 30.24 29.45 1kfq n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1kfq n PRO 36 N -1.41 2.25 0.00 -1.09 -0.04 -1.26 -2.29 135.00 131.16 1kfq n PRO 36 Ca 0.14 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 1kfq n PRO 36 Cb 0.48 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1kfq n PRO 36 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1kfq n ASN 37 N 3.81 0.00 -0.02 3.54 5.03 -1.26 -4.89 115.26 121.47 1kfq n ASN 37 Ca 0.17 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.53 1kfq n ASN 37 Cb 0.30 -0.16 -0.03 0.00 -1.02 0.00 0.00 39.78 38.87 1kfq n ASN 37 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1kfq h TYR 38 N 0.00 -0.84 0.76 3.10 3.20 -1.75 0.28 116.97 121.72 1kfq h TYR 38 Ca 0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1kfq h TYR 38 Cb 0.00 0.40 0.01 0.00 1.54 0.00 0.00 36.73 38.67 1kfq h TYR 38 CO 0.00 -0.38 -0.37 1.25 -1.64 0.00 0.00 178.16 177.03 1kfq h LEU 39 N -0.35 -0.87 -0.80 2.82 5.85 -1.78 -2.29 115.31 117.89 1kfq h LEU 39 Ca 0.11 0.02 0.19 0.00 0.84 0.00 0.00 57.88 59.04 1kfq h LEU 39 Cb 0.53 0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.66 1kfq h LEU 39 CO -0.38 -0.58 0.24 -0.33 -0.34 0.00 0.00 178.44 177.05 1kfq h GLU 40 N -1.09 0.29 -0.35 1.25 3.07 -1.89 -0.33 114.58 115.52 1kfq h GLU 40 Ca -0.10 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 1kfq h GLU 40 Cb 0.80 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 1kfq h GLU 40 CO 0.17 0.19 0.18 -0.91 -1.40 0.00 0.00 179.01 177.25 1kfq h ASN 41 N 0.30 0.45 0.14 1.42 4.21 -0.41 -1.38 115.58 120.31 1kfq h ASN 41 Ca 0.47 -0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.87 1kfq h ASN 41 Cb 0.85 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.94 1kfq h ASN 41 CO -0.54 0.43 -0.07 0.15 -1.29 0.00 0.00 177.43 176.11 1kfq h PHE 42 N 0.44 -0.17 -0.59 1.19 3.57 -0.58 -2.27 116.94 118.53 1kfq h PHE 42 Ca 0.12 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.69 1kfq h PHE 42 Cb 0.08 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 1kfq h PHE 42 CO -0.02 0.07 0.27 0.28 -2.23 0.00 0.00 178.31 176.68 1kfq h VAL 43 N -0.41 0.88 -0.53 1.41 2.07 -1.11 -1.17 116.25 117.39 1kfq h VAL 43 Ca -0.02 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1kfq h VAL 43 Cb 0.32 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1kfq h VAL 43 CO 0.03 0.09 0.23 -0.61 0.02 0.00 0.00 177.57 177.33 1kfq h GLN 44 N 0.50 0.75 0.00 1.57 5.75 -1.23 -1.82 115.11 120.63 1kfq h GLN 44 Ca 0.28 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.63 1kfq h GLN 44 Cb 0.25 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1kfq h GLN 44 CO -0.23 0.60 -0.24 0.77 -2.65 0.00 0.00 178.83 177.08 1kfq h SER 45 N 0.74 0.00 -0.05 -0.69 0.02 -0.62 0.40 113.55 113.35 1kfq h SER 45 Ca 0.18 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1kfq h SER 45 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1kfq h SER 45 CO -0.02 0.24 -0.11 0.40 -1.14 0.00 0.00 176.83 176.20 1kfq h ILE 46 N 0.00 1.43 -0.35 3.27 2.04 -0.69 -1.92 117.51 121.29 1kfq h ILE 46 Ca -0.00 -1.44 0.01 0.00 1.00 0.00 0.00 64.86 64.42 1kfq h ILE 46 Cb 0.44 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1kfq h ILE 46 CO 0.03 0.40 0.23 -0.26 0.00 0.00 0.00 178.15 178.55 1kfq h PHE 47 N -0.35 0.43 0.00 1.37 0.05 -1.05 -1.81 116.94 115.58 1kfq h PHE 47 Ca 0.00 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.80 1kfq h PHE 47 Cb 0.70 -0.14 0.00 0.00 2.00 0.00 0.00 35.95 38.50 1kfq h PHE 47 CO 0.12 0.27 0.00 -0.91 -0.18 0.00 0.00 178.31 177.61 1kfq h ASN 48 N 0.46 0.00 0.86 2.17 4.21 -0.80 -3.05 115.58 119.42 1kfq h ASN 48 Ca 0.13 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.47 1kfq h ASN 48 Cb -0.04 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.14 1kfq h ASN 48 CO -0.03 0.00 -0.79 0.74 -1.29 0.00 0.00 177.43 176.06 1kfq h THR 49 N 0.00 1.52 -3.66 2.81 2.02 -0.50 -3.44 112.91 111.66 1kfq h THR 49 Ca 0.00 -2.74 -0.45 0.00 0.77 0.00 0.00 66.41 64.00 1kfq h THR 49 Cb 0.89 2.49 0.18 0.00 -1.74 0.00 0.00 68.15 69.96 1kfq h THR 49 CO 0.00 0.77 0.13 -0.76 0.37 0.00 0.00 175.52 176.03 1kfq s LEU 50 N -7.09 1.32 0.09 2.58 1.43 -1.13 -4.98 118.68 110.89 1kfq s LEU 50 Ca 0.00 1.30 -0.21 0.00 -1.03 0.00 0.00 54.13 54.19 1kfq s LEU 50 Cb 0.11 -3.38 -0.07 0.00 0.03 0.00 0.00 46.19 42.88 1kfq s LEU 50 CO 0.79 -3.53 0.64 -0.60 0.23 0.00 0.00 176.35 173.88 1kfq s ARG 51 N -4.79 4.33 0.23 1.70 3.52 -1.26 -4.96 118.95 117.71 1kfq s ARG 51 Ca 0.66 0.87 -0.08 0.00 -0.13 0.00 0.00 55.73 57.05 1kfq s ARG 51 Cb -0.21 -3.26 0.38 0.00 -1.56 0.00 0.00 34.95 30.30 1kfq s ARG 51 CO 0.60 0.57 1.67 0.87 -0.81 0.00 0.00 175.30 178.20 1kfq h LYS 52 N 4.66 0.17 0.00 5.12 6.56 -1.90 0.38 116.57 131.56 1kfq h LYS 52 Ca -0.48 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1kfq h LYS 52 Cb 1.21 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1kfq h LYS 52 CO 0.65 0.11 0.00 -0.40 -2.06 0.00 0.00 179.45 177.76 1kfq n ASP 53 N -5.24 0.35 0.15 0.86 5.68 -1.26 -1.30 116.55 115.80 1kfq n ASP 53 Ca 0.12 0.66 0.13 0.00 -0.50 0.00 0.00 54.79 55.20 1kfq n ASP 53 Cb 0.42 -0.71 0.42 0.00 -1.14 0.00 0.00 41.12 40.11 1kfq n ASP 53 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1kfq h GLU 54 N 0.00 0.00 0.00 0.11 4.57 -0.61 -3.22 114.58 115.43 1kfq h GLU 54 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1kfq h GLU 54 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1kfq h GLU 54 CO 0.00 0.00 -1.09 1.28 -1.18 0.00 0.00 179.01 178.02 1kfq n LEU 55 N -2.50 0.59 0.06 1.64 4.77 -0.42 -4.48 117.00 116.66 1kfq n LEU 55 Ca 0.04 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1kfq n LEU 55 Cb 0.38 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1kfq n LEU 55 CO 0.28 0.03 0.23 0.11 -1.33 0.00 0.00 177.39 176.71 1kfq h LYS 56 N 0.00 0.44 -7.31 3.23 6.56 -1.68 -3.40 116.57 114.41 1kfq h LYS 56 Ca 0.00 -0.44 -0.50 0.00 -1.06 0.00 0.00 60.65 58.65 1kfq h LYS 56 Cb 0.76 0.11 0.15 0.00 -0.57 0.00 0.00 32.23 32.68 1kfq h LYS 56 CO 0.00 1.09 0.27 -1.25 -2.06 0.00 0.00 179.45 177.50 1kfq s PRO 57 N -3.39 1.67 -0.53 3.15 0.04 -1.26 -4.83 135.00 129.85 1kfq s PRO 57 Ca -0.06 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.82 1kfq s PRO 57 Cb 0.09 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.72 1kfq s PRO 57 CO 0.86 -2.03 2.42 0.21 0.04 0.00 0.00 177.00 178.50 1kfq s LYS 58 N -4.87 2.02 0.34 4.56 2.20 -1.26 -4.72 119.74 118.01 1kfq s LYS 58 Ca 0.63 1.29 0.08 0.00 -0.36 0.00 0.00 55.97 57.61 1kfq s LYS 58 Cb -0.18 -4.61 -0.07 0.00 -1.51 0.00 0.00 37.83 31.46 1kfq s LYS 58 CO 0.57 -3.45 -0.06 0.54 -0.36 0.00 0.00 175.35 172.59 1kfq s ASN 59 N 12.09 3.43 -0.09 1.43 2.20 -1.26 -4.85 114.94 127.89 1kfq s ASN 59 Ca 0.97 -1.23 0.01 0.00 -0.94 0.00 0.00 52.86 51.67 1kfq s ASN 59 Cb -0.16 -0.30 0.02 0.00 -2.00 0.00 0.00 41.25 38.81 1kfq s ASN 59 CO 0.24 -0.29 -0.10 -0.69 -2.94 0.00 0.00 177.10 173.31 1kfq s VAL 60 N -2.76 1.10 -0.16 3.54 1.01 -0.94 -1.21 120.40 120.97 1kfq s VAL 60 Ca 0.32 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1kfq s VAL 60 Cb 0.04 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1kfq s VAL 60 CO 0.15 0.36 -0.02 -0.22 0.00 0.00 0.00 175.10 175.38 1kfq s LEU 61 N 1.17 3.37 0.05 3.92 2.96 0.15 -1.70 118.68 128.60 1kfq s LEU 61 Ca -0.05 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1kfq s LEU 61 Cb -0.14 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1kfq s LEU 61 CO -0.02 0.17 0.20 0.12 -1.32 0.00 0.00 176.35 175.50 1kfq s PHE 62 N 0.36 3.52 -0.17 5.38 5.36 -0.63 -1.20 117.98 130.60 1kfq s PHE 62 Ca -0.03 0.27 -0.02 0.00 -0.96 0.00 0.00 56.93 56.19 1kfq s PHE 62 Cb -0.14 -1.77 0.05 0.00 -0.34 0.00 0.00 43.02 40.82 1kfq s PHE 62 CO 0.02 0.60 0.01 0.08 -1.46 0.00 0.00 175.22 174.47 1kfq s VAL 63 N -1.48 0.64 0.34 3.12 1.01 0.64 0.15 120.40 124.83 1kfq s VAL 63 Ca 0.34 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.92 1kfq s VAL 63 Cb -0.13 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1kfq s VAL 63 CO 0.26 -0.07 0.04 -0.83 0.00 0.00 0.00 175.10 174.50 1kfq s GLY 64 N 1.82 2.06 -0.05 4.51 0.00 0.57 -3.58 107.32 112.65 1kfq s GLY 64 Ca 0.00 -1.95 -0.31 0.00 0.00 0.00 0.00 44.72 42.46 1kfq s GLY 64 CO -0.07 -1.88 1.08 -0.32 0.00 0.00 0.00 173.10 171.90 1kfq s GLY 65 N -3.74 -0.36 -0.08 0.20 0.00 -0.97 0.25 107.32 102.61 1kfq s GLY 65 Ca 0.35 1.06 0.19 0.00 0.00 0.00 0.00 44.72 46.32 1kfq s GLY 65 CO 0.20 0.33 1.58 2.09 0.00 0.00 0.00 173.10 177.29 1kfq n ASP 66 N -0.26 4.37 -0.02 1.64 3.85 -0.02 -2.07 116.55 124.04 1kfq n ASP 66 Ca -0.05 -2.31 -0.00 0.00 -0.71 0.00 0.00 54.79 51.72 1kfq n ASP 66 Cb 0.60 -0.54 -0.00 0.00 -1.35 0.00 0.00 41.12 39.83 1kfq n ASP 66 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kfq n GLY 67 N 1.26 0.43 3.78 6.12 0.00 -1.26 -3.75 105.19 111.77 1kfq n GLY 67 Ca 0.25 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1kfq n GLY 67 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kfq s ARG 68 N -0.47 1.73 0.25 1.61 1.70 -1.26 -3.84 118.95 118.67 1kfq s ARG 68 Ca 0.00 0.66 -0.31 0.00 -0.47 0.00 0.00 55.73 55.61 1kfq s ARG 68 Cb 0.00 -1.88 -0.13 0.00 -0.57 0.00 0.00 34.95 32.38 1kfq s ARG 68 CO 0.00 -1.87 1.50 0.98 -1.08 0.00 0.00 175.30 174.84 1kfq n TYR 69 N -3.60 2.44 0.00 5.89 9.36 -0.36 -2.61 117.16 128.28 1kfq n TYR 69 Ca 0.07 0.33 0.00 0.00 3.32 0.00 0.00 57.90 61.62 1kfq n TYR 69 Cb 0.56 -2.53 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 1kfq n TYR 69 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1kfq n PHE 70 N 2.24 0.00 -0.31 2.98 7.35 -1.26 -4.76 117.46 123.70 1kfq n PHE 70 Ca 0.11 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.94 1kfq n PHE 70 Cb 0.33 0.00 0.38 0.00 0.35 0.00 0.00 39.48 40.54 1kfq n PHE 70 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1kfq h ASN 71 N 0.00 0.66 0.05 -2.13 2.35 -1.86 -1.06 115.58 113.59 1kfq h ASN 71 Ca 0.00 0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1kfq h ASN 71 Cb 0.00 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1kfq h ASN 71 CO 0.00 0.28 -0.16 -0.09 -1.65 0.00 0.00 177.43 175.81 1kfq h ARG 72 N 0.67 -0.28 -0.52 0.81 9.65 -1.91 0.01 114.38 122.80 1kfq h ARG 72 Ca 0.51 0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 59.35 1kfq h ARG 72 Cb 0.91 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.53 1kfq h ARG 72 CO -0.27 -0.19 0.10 1.96 2.80 0.00 0.00 179.97 184.37 1kfq h GLN 73 N -0.29 0.86 -0.64 0.20 7.50 -1.75 -2.87 115.11 118.13 1kfq h GLN 73 Ca 0.04 -0.23 0.06 0.00 0.50 0.00 0.00 58.65 59.02 1kfq h GLN 73 Cb 0.33 -0.10 -0.06 0.00 0.05 0.00 0.00 27.48 27.70 1kfq h GLN 73 CO -0.12 0.84 0.34 0.00 -1.50 0.00 0.00 178.83 178.39 1kfq h ALA 74 N 0.99 0.85 -0.07 3.87 0.00 -0.92 0.74 119.26 124.72 1kfq h ALA 74 Ca 0.16 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1kfq h ALA 74 Cb 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1kfq h ALA 74 CO 0.01 -0.00 -0.11 0.82 0.00 0.00 0.00 179.25 179.96 1kfq h ILE 75 N 0.63 0.69 -0.02 0.00 2.04 -0.80 0.53 117.51 120.57 1kfq h ILE 75 Ca 0.29 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.11 1kfq h ILE 75 Cb 0.20 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1kfq h ILE 75 CO -0.19 0.00 -0.18 -0.26 0.00 0.00 0.00 178.15 177.52 1kfq h PHE 76 N -0.16 0.03 -0.35 1.37 -1.00 -1.22 0.11 116.94 115.72 1kfq h PHE 76 Ca 0.06 -0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.68 1kfq h PHE 76 Cb 0.25 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 1kfq h PHE 76 CO -0.21 0.21 -0.43 1.03 -1.61 0.00 0.00 178.31 177.30 1kfq h SER 77 N 0.03 0.97 0.24 2.17 0.87 0.35 -2.39 113.55 115.79 1kfq h SER 77 Ca 0.00 -0.47 -0.09 0.00 -1.23 0.00 0.00 61.79 60.00 1kfq h SER 77 Cb 0.34 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1kfq h SER 77 CO 0.02 1.26 -0.37 0.40 -0.53 0.00 0.00 176.83 177.62 1kfq h ILE 78 N 0.72 1.29 -0.22 2.23 2.04 0.10 -1.87 117.51 121.80 1kfq h ILE 78 Ca 0.05 -1.38 -0.05 0.00 1.00 0.00 0.00 64.86 64.47 1kfq h ILE 78 Cb 1.03 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1kfq h ILE 78 CO 0.10 0.41 -0.07 0.40 0.00 0.00 0.00 178.15 178.99 1kfq h ILE 79 N 0.15 1.29 -0.23 -0.67 2.04 -0.67 0.13 117.51 119.56 1kfq h ILE 79 Ca 0.02 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.80 1kfq h ILE 79 Cb 0.73 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1kfq h ILE 79 CO 0.05 0.33 0.12 0.03 0.00 0.00 0.00 178.15 178.69 1kfq h ARG 80 N 0.15 0.25 -0.15 2.37 3.08 -1.17 -1.27 114.38 117.64 1kfq h ARG 80 Ca 0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1kfq h ARG 80 Cb 0.54 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1kfq h ARG 80 CO 0.03 0.17 0.03 -0.07 -1.07 0.00 0.00 179.97 179.05 1kfq h LEU 81 N 0.26 0.24 -1.35 3.04 4.07 -1.29 -0.89 115.31 119.39 1kfq h LEU 81 Ca 0.09 -0.25 0.13 0.00 0.08 0.00 0.00 57.88 57.93 1kfq h LEU 81 Cb 0.01 -0.06 -0.06 0.00 1.08 0.00 0.00 40.66 41.63 1kfq h LEU 81 CO -0.05 0.43 0.54 0.00 -1.08 0.00 0.00 178.44 178.28 1kfq h ALA 82 N 0.82 1.84 -0.19 1.53 0.00 -0.62 0.42 119.26 123.07 1kfq h ALA 82 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1kfq h ALA 82 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1kfq h ALA 82 CO 0.00 -0.05 -0.06 -0.92 0.00 0.00 0.00 179.25 178.22 1kfq h TYR 83 N 0.67 0.42 -0.01 0.00 3.20 -0.92 -1.26 116.97 119.06 1kfq h TYR 83 Ca 0.41 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 1kfq h TYR 83 Cb 0.63 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1kfq h TYR 83 CO -0.00 0.64 -0.18 0.00 -1.64 0.00 0.00 178.16 176.98 1kfq h ALA 84 N 0.72 1.68 -0.36 1.82 0.00 0.41 -2.62 119.26 120.91 1kfq h ALA 84 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1kfq h ALA 84 Cb 0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1kfq h ALA 84 CO 0.02 0.24 0.06 0.09 0.00 0.00 0.00 179.25 179.66 1kfq n ASN 85 N -4.32 3.61 -1.18 0.00 3.02 0.13 -4.83 115.26 111.68 1kfq n ASN 85 Ca -0.02 -2.58 -0.11 0.00 -0.03 0.00 0.00 54.58 51.84 1kfq n ASN 85 Cb 0.25 -0.62 -0.01 0.00 -0.61 0.00 0.00 39.78 38.79 1kfq n ASN 85 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1kfq n ASP 86 N 0.23 -3.75 -4.81 6.41 2.03 -0.99 -4.90 116.55 110.77 1kfq n ASP 86 Ca 0.18 0.04 -0.38 0.00 0.52 0.00 0.00 54.79 55.16 1kfq n ASP 86 Cb 0.84 -2.84 -0.06 0.00 -0.72 0.00 0.00 41.12 38.34 1kfq n ASP 86 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1kfq s ILE 87 N -2.53 5.01 -0.03 5.18 1.01 -0.49 -4.63 121.20 124.72 1kfq s ILE 87 Ca 0.00 0.93 -0.22 0.00 0.00 0.00 0.00 60.65 61.36 1kfq s ILE 87 Cb 0.00 -3.77 -0.25 0.00 0.01 0.00 0.00 42.46 38.45 1kfq s ILE 87 CO 0.00 0.53 1.02 0.28 0.00 0.00 0.00 174.94 176.77 1kfq h SER 88 N 5.07 0.39 -3.89 3.58 0.02 -1.84 -3.42 113.55 113.47 1kfq h SER 88 Ca -0.49 -0.81 -0.30 0.00 -0.84 0.00 0.00 61.79 59.35 1kfq h SER 88 Cb 1.21 -0.12 -0.28 0.00 0.14 0.00 0.00 62.40 63.35 1kfq h SER 88 CO 0.65 1.16 -0.74 -1.61 -1.14 0.00 0.00 176.83 175.14 1kfq s GLU 89 N -2.99 0.32 -0.16 3.45 2.02 -0.35 -2.06 118.70 118.93 1kfq s GLU 89 Ca -0.14 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 54.71 1kfq s GLU 89 Cb 0.02 -0.30 0.02 0.00 0.10 0.00 0.00 34.13 33.96 1kfq s GLU 89 CO 0.79 0.08 -0.20 0.08 0.02 0.00 0.00 175.26 176.03 1kfq s VAL 90 N -0.13 2.02 -0.14 2.63 1.01 -1.05 -0.67 120.40 124.08 1kfq s VAL 90 Ca 0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1kfq s VAL 90 Cb -0.02 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1kfq s VAL 90 CO -0.00 0.54 -0.01 -1.00 0.00 0.00 0.00 175.10 174.63 1kfq s HIS 91 N 1.11 3.11 0.05 5.22 3.76 -0.34 -1.72 115.29 126.47 1kfq s HIS 91 Ca 0.00 -0.09 -0.03 0.00 -0.15 0.00 0.00 55.06 54.80 1kfq s HIS 91 Cb -0.14 -1.94 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 1kfq s HIS 91 CO -0.08 0.14 0.03 0.54 -0.85 0.00 0.00 174.74 174.51 1kfq s VAL 92 N 0.05 0.17 0.67 -0.90 0.11 -0.81 -0.26 120.40 119.43 1kfq s VAL 92 Ca 0.02 -1.40 -0.12 0.00 -2.93 0.00 0.00 61.98 57.55 1kfq s VAL 92 Cb -0.13 -1.12 -0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1kfq s VAL 92 CO 0.02 -0.77 1.06 -0.83 -3.33 0.00 0.00 175.10 171.25 1kfq s GLY 93 N -2.46 1.78 0.20 6.54 0.00 -1.23 -0.63 107.32 111.52 1kfq s GLY 93 Ca -0.00 0.17 -0.32 0.00 0.00 0.00 0.00 44.72 44.57 1kfq s GLY 93 CO -0.07 0.48 1.70 1.62 0.00 0.00 0.00 173.10 176.83 1kfq s GLN 94 N -4.79 4.14 -1.41 2.90 0.74 -0.50 -0.27 119.66 120.46 1kfq s GLN 94 Ca 0.60 2.57 0.00 0.00 0.05 0.00 0.00 55.36 58.58 1kfq s GLN 94 Cb -0.15 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.88 1kfq s GLN 94 CO 0.50 -0.73 0.00 0.00 -0.55 0.00 0.00 175.29 174.51 1kfq n ALA 95 N 3.97 -0.20 -1.07 1.58 0.00 0.15 -1.00 120.51 123.94 1kfq n ALA 95 Ca 0.16 0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.79 1kfq n ALA 95 Cb 0.36 -1.62 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 1kfq n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfq n GLY 96 N -0.74 0.57 3.66 0.00 0.00 0.63 -4.91 105.19 104.38 1kfq n GLY 96 Ca -0.13 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 1kfq n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kfq s LEU 97 N -0.53 4.12 -0.30 0.99 1.02 -0.17 -3.56 118.68 120.25 1kfq s LEU 97 Ca 0.00 0.28 -0.06 0.00 0.02 0.00 0.00 54.13 54.36 1kfq s LEU 97 Cb 0.00 -2.29 0.18 0.00 0.02 0.00 0.00 46.19 44.10 1kfq s LEU 97 CO 0.00 -0.01 0.80 -0.32 0.02 0.00 0.00 176.35 176.83 1kfq s MET 98 N 1.27 0.40 0.80 1.70 1.75 -0.88 -3.87 119.30 120.47 1kfq s MET 98 Ca 0.13 0.72 -0.13 0.00 -1.25 0.00 0.00 55.69 55.16 1kfq s MET 98 Cb -0.14 0.40 0.08 0.00 2.84 0.00 0.00 34.83 38.01 1kfq s MET 98 CO 0.06 -0.43 1.18 -1.54 -0.65 0.00 0.00 175.02 173.64 1kfq s SER 99 N 2.90 3.73 0.17 1.11 1.04 -1.26 -2.29 113.70 119.10 1kfq s SER 99 Ca 0.11 2.27 -0.15 0.00 0.48 0.00 0.00 55.95 58.66 1kfq s SER 99 Cb -0.13 -2.58 0.14 0.00 0.10 0.00 0.00 66.02 63.55 1kfq s SER 99 CO -0.17 -2.57 1.72 0.74 0.98 0.00 0.00 173.24 173.94 1kfq h THR 100 N -0.94 0.75 -0.88 2.02 2.02 -1.84 0.23 112.91 114.28 1kfq h THR 100 Ca -0.46 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 66.66 1kfq h THR 100 Cb 1.28 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1kfq h THR 100 CO 0.47 0.04 0.57 -0.65 0.37 0.00 0.00 175.52 176.32 1kfq h PRO 101 N 0.20 1.16 0.00 6.66 0.11 -1.81 -1.04 132.00 137.28 1kfq h PRO 101 Ca 0.21 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.14 1kfq h PRO 101 Cb 0.27 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1kfq h PRO 101 CO -0.29 0.77 -0.49 0.00 -0.21 0.00 0.00 178.00 177.78 1kfq h ALA 102 N 1.32 0.97 -0.26 -0.75 0.00 -1.71 -2.60 119.26 116.22 1kfq h ALA 102 Ca 0.32 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1kfq h ALA 102 Cb -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1kfq h ALA 102 CO -0.07 0.62 -0.61 0.77 0.00 0.00 0.00 179.25 179.96 1kfq h SER 103 N 0.00 0.98 0.20 0.00 0.02 -0.07 -1.44 113.55 113.23 1kfq h SER 103 Ca -0.00 -0.56 -0.01 0.00 -0.84 0.00 0.00 61.79 60.38 1kfq h SER 103 Cb 1.01 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1kfq h SER 103 CO 0.06 1.36 -0.10 -1.28 -1.14 0.00 0.00 176.83 175.74 1kfq h SER 104 N 0.64 -0.23 -0.04 3.07 0.87 -1.09 -1.86 113.55 114.91 1kfq h SER 104 Ca -0.00 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1kfq h SER 104 Cb 1.23 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 1kfq h SER 104 CO 0.13 -0.08 -0.02 -0.74 -0.53 0.00 0.00 176.83 175.60 1kfq h HIS 105 N -0.36 0.17 -0.23 2.24 6.17 -1.48 -1.32 115.15 120.34 1kfq h HIS 105 Ca -0.03 -0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.02 1kfq h HIS 105 Cb 0.28 -0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.14 1kfq h HIS 105 CO -0.04 0.20 0.03 -0.92 0.71 0.00 0.00 177.93 177.92 1kfq h TYR 106 N 0.18 0.40 -0.63 5.26 3.20 -0.91 0.26 116.97 124.73 1kfq h TYR 106 Ca 0.04 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1kfq h TYR 106 Cb 0.15 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1kfq h TYR 106 CO 0.00 0.52 0.38 0.82 -1.64 0.00 0.00 178.16 178.24 1kfq h ILE 107 N 0.17 1.18 -0.40 1.81 2.04 -0.97 -2.03 117.51 119.32 1kfq h ILE 107 Ca 0.07 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1kfq h ILE 107 Cb 0.34 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1kfq h ILE 107 CO 0.01 0.19 0.12 0.03 0.00 0.00 0.00 178.15 178.50 1kfq h ARG 108 N 0.85 0.62 -0.72 2.37 3.08 -0.97 -1.93 114.38 117.68 1kfq h ARG 108 Ca 0.23 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.15 1kfq h ARG 108 Cb -0.02 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1kfq h ARG 108 CO -0.04 0.62 0.47 -0.22 -1.07 0.00 0.00 179.97 179.74 1kfq h LYS 109 N 0.50 0.95 -0.10 0.04 3.64 -0.24 -0.69 116.57 120.68 1kfq h LYS 109 Ca 0.13 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 1kfq h LYS 109 Cb 0.26 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1kfq h LYS 109 CO -0.00 0.63 -0.46 0.28 -2.27 0.00 0.00 179.45 177.63 1kfq h VAL 110 N 0.98 1.38 0.00 2.00 2.07 -1.21 -2.43 116.25 119.04 1kfq h VAL 110 Ca 0.26 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1kfq h VAL 110 Cb -0.11 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1kfq h VAL 110 CO -0.06 0.54 0.00 0.59 0.02 0.00 0.00 177.57 178.66 1kfq n ASN 111 N -4.27 0.00 -0.00 0.57 5.03 -0.74 -0.53 115.26 115.31 1kfq n ASN 111 Ca -0.08 0.38 -0.22 0.00 0.87 0.00 0.00 54.58 55.54 1kfq n ASN 111 Cb 0.58 -0.45 -0.14 0.00 -1.02 0.00 0.00 39.78 38.75 1kfq n ASN 111 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1kfq h GLU 112 N 0.00 0.24 0.04 3.52 5.08 -1.05 -3.30 114.58 119.12 1kfq h GLU 112 Ca 0.00 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1kfq h GLU 112 Cb 0.28 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1kfq h GLU 112 CO 0.00 1.20 -0.02 0.93 -1.00 0.00 0.00 179.01 180.12 1kfq h GLU 113 N -0.08 -0.06 0.01 2.33 5.08 -1.08 -3.43 114.58 117.35 1kfq h GLU 113 Ca -0.40 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.55 1kfq h GLU 113 Cb 1.93 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 31.13 1kfq h GLU 113 CO 0.06 -0.04 -2.41 0.28 -1.00 0.00 0.00 179.01 175.90 1kfq n VAL 114 N -4.33 1.53 -0.90 3.13 0.31 0.31 -5.04 118.33 113.33 1kfq n VAL 114 Ca -0.01 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 1kfq n VAL 114 Cb 0.02 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 1kfq n VAL 114 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1kfq n GLY 115 N 1.77 0.69 0.10 2.92 0.00 -0.44 -4.98 105.19 105.24 1kfq n GLY 115 Ca -0.48 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 44.90 1kfq n GLY 115 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kfq n ASN 116 N 1.35 2.29 -4.68 1.61 6.94 -1.26 -4.93 115.26 116.58 1kfq n ASN 116 Ca 0.00 -2.55 -0.40 0.00 -0.02 0.00 0.00 54.58 51.61 1kfq n ASN 116 Cb 0.11 -0.23 -0.06 0.00 -2.36 0.00 0.00 39.78 37.24 1kfq n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kfq n ILE 118 N 4.45 0.02 0.00 0.00 -5.35 -0.69 -4.69 119.36 113.10 1kfq n ILE 118 Ca -0.02 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1kfq n ILE 118 Cb 0.50 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 1kfq n ILE 118 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kfq n GLY 119 N 0.94 0.54 3.32 3.28 0.00 -1.26 -4.28 105.19 107.73 1kfq n GLY 119 Ca 0.19 -2.18 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 1kfq n GLY 119 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kfq s GLY 120 N 0.00 -0.29 -0.23 -0.02 0.00 -0.03 -1.61 107.32 105.14 1kfq s GLY 120 Ca 0.00 0.92 -0.14 0.00 0.00 0.00 0.00 44.72 45.49 1kfq s GLY 120 CO 0.00 0.71 0.34 -0.42 0.00 0.00 0.00 173.10 173.74 1kfq s ILE 121 N -0.47 5.23 -0.29 0.90 1.01 0.12 -0.69 121.20 127.01 1kfq s ILE 121 Ca -0.06 0.56 -0.05 0.00 0.00 0.00 0.00 60.65 61.10 1kfq s ILE 121 Cb -0.03 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.78 1kfq s ILE 121 CO 0.03 0.25 0.05 -0.63 0.00 0.00 0.00 174.94 174.63 1kfq s ILE 122 N 1.44 3.61 -0.79 2.92 1.01 -0.91 -0.32 121.20 128.16 1kfq s ILE 122 Ca 0.16 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 59.67 1kfq s ILE 122 Cb -0.15 -2.90 0.06 0.00 0.01 0.00 0.00 42.46 39.48 1kfq s ILE 122 CO 0.08 0.05 1.21 -0.76 0.00 0.00 0.00 174.94 175.52 1kfq s LEU 123 N 1.42 3.75 -0.08 2.97 1.43 0.69 -2.25 118.68 126.62 1kfq s LEU 123 Ca 0.01 -0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 51.86 1kfq s LEU 123 Cb -0.18 -2.51 0.10 0.00 0.03 0.00 0.00 46.19 43.64 1kfq s LEU 123 CO 0.01 -1.59 0.88 0.28 0.23 0.00 0.00 176.35 176.15 1kfq s THR 124 N 4.83 0.00 -0.13 5.49 -1.32 -0.84 -0.84 115.64 122.83 1kfq s THR 124 Ca 0.33 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.97 1kfq s THR 124 Cb -0.09 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.20 1kfq s THR 124 CO 0.06 0.00 1.15 0.00 -2.21 0.00 0.00 174.62 173.62 1kfq n ALA 125 N 0.45 2.53 -0.91 11.08 0.00 -1.26 -3.49 120.51 128.92 1kfq n ALA 125 Ca -0.12 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.70 1kfq n ALA 125 Cb 0.59 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1kfq n ALA 125 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1kfq n SER 126 N -1.19 0.00 -0.93 0.00 2.88 -1.26 -1.82 113.62 111.29 1kfq n SER 126 Ca 0.15 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.77 1kfq n SER 126 Cb 0.67 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.35 1kfq n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kfq n HIS 127 N 5.59 0.69 -3.02 0.66 1.44 -1.26 -3.14 115.22 116.17 1kfq n HIS 127 Ca 0.00 -0.34 -0.33 0.00 -2.01 0.00 0.00 57.72 55.05 1kfq n HIS 127 Cb 0.00 -0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.04 1kfq n HIS 127 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1kfq s ASN 128 N -0.99 6.81 0.81 4.39 -0.87 -0.76 -3.82 114.94 120.52 1kfq s ASN 128 Ca 0.33 1.40 -0.13 0.00 -1.57 0.00 0.00 52.86 52.89 1kfq s ASN 128 Cb 0.18 -2.42 0.09 0.00 -0.02 0.00 0.00 41.25 39.07 1kfq s ASN 128 CO 0.22 -0.26 1.20 -2.84 -2.57 0.00 0.00 177.10 172.85 1kfq s PRO 129 N -3.09 1.60 0.31 -0.60 0.02 -1.26 -4.63 135.00 127.35 1kfq s PRO 129 Ca 0.56 1.74 0.03 0.00 0.02 0.00 0.00 61.00 63.36 1kfq s PRO 129 Cb -0.10 -1.77 -0.06 0.00 0.02 0.00 0.00 34.50 32.59 1kfq s PRO 129 CO 0.17 -2.24 0.07 0.20 -0.33 0.00 0.00 177.00 174.87 1kfq s GLY 130 N -2.19 2.00 0.00 0.52 0.00 -1.26 -0.45 107.32 105.93 1kfq s GLY 130 Ca 0.73 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1kfq s GLY 130 CO 0.51 -1.77 0.00 0.61 0.00 0.00 0.00 173.10 172.45 1kfq n GLY 131 N -0.63 3.79 0.49 0.20 0.00 -1.14 -4.30 105.19 103.59 1kfq n GLY 131 Ca -0.02 -1.61 -0.19 0.00 0.00 0.00 0.00 46.02 44.20 1kfq n GLY 131 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kfq h LYS 132 N 0.00 -1.19 0.54 1.61 3.64 -1.90 -1.51 116.57 117.76 1kfq h LYS 132 Ca 0.00 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1kfq h LYS 132 Cb 0.00 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1kfq h LYS 132 CO 0.00 -0.80 -0.32 1.05 -2.27 0.00 0.00 179.45 177.12 1kfq h GLU 133 N -1.28 -0.78 -2.28 1.90 4.11 -2.00 -3.39 114.58 110.86 1kfq h GLU 133 Ca -0.13 0.05 -0.58 0.00 0.07 0.00 0.00 59.36 58.77 1kfq h GLU 133 Cb 0.95 0.18 -0.40 0.00 0.50 0.00 0.00 28.75 29.98 1kfq h GLU 133 CO 0.21 -0.52 -0.91 0.72 0.07 0.00 0.00 179.01 178.58 1kfq n HIS 134 N -5.45 0.69 -4.04 2.06 8.25 -1.25 -4.92 115.22 110.55 1kfq n HIS 134 Ca -0.12 -3.70 -0.10 0.00 -0.26 0.00 0.00 57.72 53.54 1kfq n HIS 134 Cb 0.35 -0.25 -0.07 0.00 1.12 0.00 0.00 29.99 31.14 1kfq n HIS 134 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1kfq s GLY 135 N -1.11 0.76 0.23 -1.41 0.00 -0.57 -4.52 107.32 100.71 1kfq s GLY 135 Ca 0.34 -1.10 0.08 0.00 0.00 0.00 0.00 44.72 44.05 1kfq s GLY 135 CO -0.12 -0.88 0.04 0.99 0.00 0.00 0.00 173.10 173.13 1kfq s ASP 136 N -3.04 4.83 -0.07 1.64 1.01 0.40 -0.17 116.67 121.26 1kfq s ASP 136 Ca 0.26 -0.48 0.04 0.00 0.71 0.00 0.00 52.55 53.08 1kfq s ASP 136 Cb 0.02 -1.02 -0.00 0.00 1.01 0.00 0.00 42.92 42.93 1kfq s ASP 136 CO 0.08 0.02 -0.21 0.12 0.21 0.00 0.00 175.17 175.39 1kfq s PHE 137 N -2.09 2.14 0.12 4.23 5.36 0.77 -4.59 117.98 123.92 1kfq s PHE 137 Ca 0.30 -0.74 0.10 0.00 -0.96 0.00 0.00 56.93 55.64 1kfq s PHE 137 Cb -0.08 -1.44 -0.04 0.00 -0.34 0.00 0.00 43.02 41.13 1kfq s PHE 137 CO 0.21 -0.28 -0.25 0.20 -1.46 0.00 0.00 175.22 173.64 1kfq s GLY 138 N 0.18 1.60 -0.27 13.12 0.00 -1.24 -2.43 107.32 118.28 1kfq s GLY 138 Ca -0.10 -1.44 -0.05 0.00 0.00 0.00 0.00 44.72 43.13 1kfq s GLY 138 CO 0.05 -1.41 0.54 -1.50 0.00 0.00 0.00 173.10 170.78 1kfq s ILE 139 N -1.07 -0.87 0.44 0.90 2.07 -0.95 -1.98 121.20 119.73 1kfq s ILE 139 Ca 0.15 0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.44 1kfq s ILE 139 Cb -0.10 -0.91 -0.03 0.00 0.13 0.00 0.00 42.46 41.55 1kfq s ILE 139 CO 0.07 -0.01 0.07 -1.59 -1.91 0.00 0.00 174.94 171.57 1kfq s LYS 140 N 2.77 2.00 -0.01 3.50 -2.85 -0.95 -2.23 119.74 121.98 1kfq s LYS 140 Ca 0.08 -2.23 0.02 0.00 -1.00 0.00 0.00 55.97 52.84 1kfq s LYS 140 Cb -0.14 -1.05 -0.00 0.00 -2.06 0.00 0.00 37.83 34.58 1kfq s LYS 140 CO -0.18 -0.38 -0.07 0.12 0.10 0.00 0.00 175.35 174.94 1kfq s PHE 141 N -3.06 0.67 -0.12 1.78 5.36 -1.26 -2.14 117.98 119.21 1kfq s PHE 141 Ca 0.19 -0.13 0.03 0.00 -0.96 0.00 0.00 56.93 56.06 1kfq s PHE 141 Cb 0.03 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.26 1kfq s PHE 141 CO 0.11 -0.03 -0.23 -0.80 -1.46 0.00 0.00 175.22 172.81 1kfq s ASN 142 N -0.06 3.13 1.25 6.13 0.02 0.13 -1.08 114.94 124.46 1kfq s ASN 142 Ca 0.01 -0.57 -0.19 0.00 -1.02 0.00 0.00 52.86 51.10 1kfq s ASN 142 Cb -0.04 -1.43 0.28 0.00 0.02 0.00 0.00 41.25 40.08 1kfq s ASN 142 CO -0.00 0.13 0.94 1.33 0.02 0.00 0.00 177.10 179.52 1kfq n VAL 143 N 3.73 0.00 0.30 1.60 0.24 -0.92 -0.85 118.33 122.42 1kfq n VAL 143 Ca -0.19 -0.36 0.15 0.00 -2.04 0.00 0.00 64.34 61.89 1kfq n VAL 143 Cb 0.52 -1.16 0.79 0.00 -1.47 0.00 0.00 33.84 32.52 1kfq n VAL 143 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1kfq h ARG 144 N 0.00 0.00 -0.01 7.34 3.08 -1.84 0.15 114.38 123.10 1kfq h ARG 144 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1kfq h ARG 144 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1kfq h ARG 144 CO 0.23 0.00 -0.25 0.25 -1.07 0.00 0.00 179.97 179.14 1kfq n THR 145 N -2.74 0.00 -0.87 2.04 -2.24 -1.26 -4.70 114.28 104.51 1kfq n THR 145 Ca -0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1kfq n THR 145 Cb 0.30 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1kfq n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfq n GLY 146 N 1.35 0.68 3.93 3.38 0.00 0.51 -4.72 105.19 110.32 1kfq n GLY 146 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1kfq n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfq s ALA 147 N -2.53 3.88 0.29 4.61 0.00 -1.26 -4.55 121.76 122.20 1kfq s ALA 147 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 1kfq s ALA 147 Cb 0.00 -1.92 -0.14 0.00 0.00 0.00 0.00 23.12 21.07 1kfq s ALA 147 CO 0.00 0.45 1.12 -2.30 0.00 0.00 0.00 175.76 175.04 1kfq n PRO 148 N -0.67 1.58 -1.68 0.00 -0.02 -1.26 -2.17 135.00 130.78 1kfq n PRO 148 Ca -0.06 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 1kfq n PRO 148 Cb 0.54 -2.01 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1kfq n PRO 148 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kfq n ALA 149 N 0.52 1.07 -1.73 3.55 0.00 -0.24 -4.70 120.51 118.99 1kfq n ALA 149 Ca 0.09 0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.54 1kfq n ALA 149 Cb 0.32 -2.22 0.06 0.00 0.00 0.00 0.00 19.45 17.61 1kfq n ALA 149 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1kfq s PRO 150 N -1.69 2.67 0.27 0.00 0.02 -1.26 -4.74 135.00 130.26 1kfq s PRO 150 Ca 0.57 2.00 -0.00 0.00 0.02 0.00 0.00 61.00 63.59 1kfq s PRO 150 Cb -0.59 -1.87 0.54 0.00 0.02 0.00 0.00 34.50 32.60 1kfq s PRO 150 CO 0.61 -1.49 1.79 1.49 -0.33 0.00 0.00 177.00 179.07 1kfq h GLU 151 N 0.63 0.74 0.00 5.54 4.81 -1.93 0.28 114.58 124.65 1kfq h GLU 151 Ca -0.51 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.62 1kfq h GLU 151 Cb 1.33 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1kfq h GLU 151 CO 0.54 0.49 -0.27 0.38 -0.73 0.00 0.00 179.01 179.41 1kfq h ASP 152 N 0.76 0.00 -0.00 1.04 2.03 -1.99 -0.34 116.42 117.92 1kfq h ASP 152 Ca 0.48 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.62 1kfq h ASP 152 Cb 0.60 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.11 1kfq h ASP 152 CO -0.32 0.27 -0.62 0.15 -1.03 0.00 0.00 179.24 177.69 1kfq h PHE 153 N 0.00 0.63 0.00 4.15 3.57 -1.40 -2.72 116.94 121.18 1kfq h PHE 153 Ca -0.00 -0.34 -0.00 0.00 3.53 0.00 0.00 57.97 61.15 1kfq h PHE 153 Cb 0.56 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1kfq h PHE 153 CO 0.00 1.16 -0.01 1.79 -2.23 0.00 0.00 178.31 179.02 1kfq h THR 154 N -0.08 0.03 0.01 4.41 1.35 -0.74 -0.56 112.91 117.32 1kfq h THR 154 Ca -0.08 -0.45 -0.20 0.00 -0.55 0.00 0.00 66.41 65.13 1kfq h THR 154 Cb 1.33 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 69.17 1kfq h THR 154 CO 0.12 0.01 -0.91 0.44 -0.25 0.00 0.00 175.52 174.93 1kfq h ASP 155 N 0.00 0.09 -0.21 5.36 3.45 -0.99 -2.60 116.42 121.52 1kfq h ASP 155 Ca -0.00 -0.08 -0.15 0.00 0.43 0.00 0.00 57.03 57.23 1kfq h ASP 155 Cb 0.44 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 1kfq h ASP 155 CO 0.00 0.95 -0.41 1.56 -1.57 0.00 0.00 179.24 179.77 1kfq h GLN 156 N 0.03 0.76 -0.69 3.56 1.08 -0.82 -1.87 115.11 117.17 1kfq h GLN 156 Ca -0.03 -0.41 -0.06 0.00 -1.45 0.00 0.00 58.65 56.71 1kfq h GLN 156 Cb 1.59 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 29.01 1kfq h GLN 156 CO 0.13 1.03 0.21 0.82 -0.95 0.00 0.00 178.83 180.07 1kfq h ILE 157 N 0.62 1.25 0.15 2.54 2.04 -1.25 -2.42 117.51 120.44 1kfq h ILE 157 Ca 0.05 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1kfq h ILE 157 Cb 0.97 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1kfq h ILE 157 CO 0.09 0.34 -0.07 0.22 0.00 0.00 0.00 178.15 178.73 1kfq h TYR 158 N 1.02 -0.19 -0.45 1.37 3.20 -1.23 -2.40 116.97 118.30 1kfq h TYR 158 Ca 0.22 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.17 1kfq h TYR 158 Cb 0.30 0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.53 1kfq h TYR 158 CO 0.02 0.03 -0.34 1.15 -1.64 0.00 0.00 178.16 177.38 1kfq h THR 159 N -0.38 0.20 -0.99 1.81 2.02 -1.20 -1.77 112.91 112.61 1kfq h THR 159 Ca -0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.23 1kfq h THR 159 Cb 0.30 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 66.84 1kfq h THR 159 CO 0.03 0.00 0.64 0.45 0.37 0.00 0.00 175.52 177.01 1kfq h HIS 160 N -0.24 1.16 -0.11 3.16 3.86 -1.39 -2.45 115.15 119.15 1kfq h HIS 160 Ca 0.18 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1kfq h HIS 160 Cb 0.55 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1kfq h HIS 160 CO -0.57 0.58 0.07 1.79 0.86 0.00 0.00 177.93 180.66 1kfq h THR 161 N 1.12 1.01 -0.00 2.45 1.35 -0.79 -0.66 112.91 117.39 1kfq h THR 161 Ca 0.43 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.25 1kfq h THR 161 Cb 0.23 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1kfq h THR 161 CO -0.18 0.02 -0.19 0.35 -0.25 0.00 0.00 175.52 175.27 1kfq n THR 162 N -4.52 0.00 0.00 6.82 -2.24 -0.93 -3.96 114.28 109.45 1kfq n THR 162 Ca -0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1kfq n THR 162 Cb 0.10 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1kfq n THR 162 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kfq n LYS 163 N -1.07 1.03 -1.58 -0.78 5.02 -0.86 -4.89 118.16 115.02 1kfq n LYS 163 Ca 0.11 0.00 -0.47 0.00 -2.02 0.00 0.00 58.31 55.93 1kfq n LYS 163 Cb 0.31 -0.93 -0.03 0.00 -0.02 0.00 0.00 35.03 34.36 1kfq n LYS 163 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1kfq n ILE 164 N -1.42 1.22 -0.10 -0.18 3.06 -0.31 -4.88 119.36 116.75 1kfq n ILE 164 Ca 0.00 -0.30 0.00 0.00 -2.50 0.00 0.00 62.75 59.95 1kfq n ILE 164 Cb 0.00 -0.90 0.00 0.00 0.54 0.00 0.00 39.64 39.28 1kfq n ILE 164 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1kfq n LYS 165 N 1.48 3.04 -3.51 9.51 5.02 -1.26 -3.62 118.16 128.81 1kfq n LYS 165 Ca 0.13 -0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 1kfq n LYS 165 Cb 0.27 -0.52 -0.02 0.00 -0.02 0.00 0.00 35.03 34.74 1kfq n LYS 165 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1kfq s GLU 166 N -0.47 1.31 0.08 1.97 -1.05 -1.26 -0.93 118.70 118.35 1kfq s GLU 166 Ca 0.00 -0.54 -0.15 0.00 -0.15 0.00 0.00 54.97 54.13 1kfq s GLU 166 Cb 0.00 0.56 0.03 0.00 -0.44 0.00 0.00 34.13 34.28 1kfq s GLU 166 CO 0.00 -0.58 0.34 1.52 0.95 0.00 0.00 175.26 177.49 1kfq s TYR 167 N -3.69 -0.14 -0.11 4.83 -0.85 -0.78 -4.91 117.35 111.70 1kfq s TYR 167 Ca 0.03 -0.08 -0.10 0.00 -0.52 0.00 0.00 57.07 56.41 1kfq s TYR 167 Cb -0.02 0.15 -0.05 0.00 0.38 0.00 0.00 41.96 42.43 1kfq s TYR 167 CO -0.09 -0.59 0.21 -0.51 -1.52 0.00 0.00 175.55 173.06 1kfq s LEU 168 N -2.40 4.37 0.00 -3.49 1.43 -1.26 -1.50 118.68 115.83 1kfq s LEU 168 Ca -0.01 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1kfq s LEU 168 Cb 0.01 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 1kfq s LEU 168 CO -0.07 0.34 0.21 0.41 0.23 0.00 0.00 176.35 177.47 1kfq n THR 169 N 2.27 0.00 -4.14 5.49 -1.04 -0.47 -4.50 114.28 111.89 1kfq n THR 169 Ca -0.17 -0.99 -0.10 0.00 -2.04 0.00 0.00 64.05 60.75 1kfq n THR 169 Cb 0.54 0.57 -0.10 0.00 -1.82 0.00 0.00 70.33 69.52 1kfq n THR 169 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1kfq s VAL 170 N -2.64 0.07 -0.56 12.58 0.11 -1.26 0.84 120.40 129.54 1kfq s VAL 170 Ca 0.16 -1.87 0.02 0.00 -2.93 0.00 0.00 61.98 57.36 1kfq s VAL 170 Cb -0.00 -2.16 0.14 0.00 -1.53 0.00 0.00 36.38 32.83 1kfq s VAL 170 CO 0.11 -0.30 0.32 -1.81 -3.33 0.00 0.00 175.10 170.09 1kfq s ASP 171 N -3.07 4.57 -0.12 3.54 1.11 -1.26 -4.99 116.67 116.45 1kfq s ASP 171 Ca 0.28 -3.00 -0.13 0.00 0.18 0.00 0.00 52.55 49.88 1kfq s ASP 171 Cb 0.07 -1.70 0.03 0.00 1.07 0.00 0.00 42.92 42.39 1kfq s ASP 171 CO 0.05 -0.26 0.36 -0.47 1.18 0.00 0.00 175.17 176.02 1kfq s TYR 172 N -0.27 -0.37 -1.37 4.23 5.04 -1.26 -4.64 117.35 118.70 1kfq s TYR 172 Ca 0.17 0.89 -0.12 0.00 -2.44 0.00 0.00 57.07 55.57 1kfq s TYR 172 Cb -0.24 0.13 0.10 0.00 0.35 0.00 0.00 41.96 42.30 1kfq s TYR 172 CO -0.01 -0.22 2.05 0.39 -1.34 0.00 0.00 175.55 176.42 1kfq n GLU 173 N 2.68 3.19 -0.37 4.97 1.02 -1.26 -4.76 120.64 126.11 1kfq n GLU 173 Ca -0.14 -3.03 0.01 0.00 -0.02 0.00 0.00 57.16 53.98 1kfq n GLU 173 Cb 0.57 -3.14 0.16 0.00 -0.02 0.00 0.00 31.44 29.01 1kfq n GLU 173 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1kfq h PHE 174 N 5.98 1.22 -0.37 -0.32 0.04 -1.98 -1.84 116.94 119.67 1kfq h PHE 174 Ca 0.49 0.03 0.11 0.00 2.80 0.00 0.00 57.97 61.40 1kfq h PHE 174 Cb 0.65 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1kfq h PHE 174 CO 1.37 0.68 0.36 1.05 -0.60 0.00 0.00 178.31 181.16 1kfq h GLU 175 N 1.24 0.00 -0.00 1.51 9.09 -1.86 0.12 114.58 124.68 1kfq h GLU 175 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 1kfq h GLU 175 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1kfq h GLU 175 CO -0.14 0.00 -0.15 1.63 0.05 0.00 0.00 179.01 180.40 1kfq n LYS 176 N -3.92 0.60 0.00 1.06 5.02 -0.69 -4.01 118.16 116.21 1kfq n LYS 176 Ca 0.06 -0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1kfq n LYS 176 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1kfq n LYS 176 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kfq n HIS 177 N -1.00 0.00 -4.66 2.13 8.25 0.28 -5.02 115.22 115.20 1kfq n HIS 177 Ca 0.13 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.26 1kfq n HIS 177 Cb 0.29 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.26 1kfq n HIS 177 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1kfq s ILE 178 N -1.19 2.85 -0.62 1.59 1.01 -0.34 -5.01 121.20 119.49 1kfq s ILE 178 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 1kfq s ILE 178 Cb 0.00 -2.20 0.16 0.00 0.01 0.00 0.00 42.46 40.43 1kfq s ILE 178 CO 0.00 0.52 0.46 0.21 0.00 0.00 0.00 174.94 176.12 1kfq s ASN 179 N 0.59 5.46 0.61 3.58 2.47 -1.26 -4.76 114.94 121.62 1kfq s ASN 179 Ca -0.08 -2.71 0.28 0.00 0.42 0.00 0.00 52.86 50.77 1kfq s ASN 179 Cb -0.16 -1.91 1.34 0.00 -1.45 0.00 0.00 41.25 39.08 1kfq s ASN 179 CO 0.03 -0.43 1.76 -0.07 -3.72 0.00 0.00 177.10 174.67 1kfq h LEU 180 N 7.30 0.00 -0.67 3.21 3.38 -1.96 0.14 115.31 126.71 1kfq h LEU 180 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1kfq h LEU 180 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1kfq h LEU 180 CO 0.73 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.73 1kfq n ASP 181 N -3.46 1.00 -3.82 -0.43 8.00 -1.26 0.31 116.55 116.89 1kfq n ASP 181 Ca 0.09 -1.76 -0.27 0.00 0.71 0.00 0.00 54.79 53.56 1kfq n ASP 181 Cb 0.80 -0.09 -0.17 0.00 -0.02 0.00 0.00 41.12 41.65 1kfq n ASP 181 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1kfq s GLN 182 N -1.82 1.05 0.18 -1.24 0.74 0.50 -4.85 119.66 114.21 1kfq s GLN 182 Ca 0.23 -0.40 -0.33 0.00 0.05 0.00 0.00 55.36 54.91 1kfq s GLN 182 Cb 0.12 -1.89 -0.13 0.00 1.10 0.00 0.00 33.01 32.20 1kfq s GLN 182 CO 0.18 -0.49 1.58 -0.89 -0.55 0.00 0.00 175.29 175.12 1kfq n ILE 183 N 4.97 0.13 0.00 -2.34 5.41 -1.26 -4.78 119.36 121.49 1kfq n ILE 183 Ca -0.10 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1kfq n ILE 183 Cb 0.48 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 1kfq n ILE 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1kfq n GLY 184 N 3.32 0.24 3.50 7.39 0.00 -0.95 -4.99 105.19 113.69 1kfq n GLY 184 Ca 0.16 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1kfq n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfq s VAL 185 N -1.91 4.25 -0.37 1.61 1.01 -1.26 -1.09 120.40 122.65 1kfq s VAL 185 Ca 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 1kfq s VAL 185 Cb 0.00 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.48 1kfq s VAL 185 CO 0.00 0.42 0.19 -0.31 0.00 0.00 0.00 175.10 175.39 1kfq s TYR 186 N 0.94 3.24 0.14 5.22 1.51 0.39 -4.97 117.35 123.82 1kfq s TYR 186 Ca 0.02 -1.03 -0.17 0.00 -1.01 0.00 0.00 57.07 54.88 1kfq s TYR 186 Cb -0.14 -2.41 -0.07 0.00 -0.11 0.00 0.00 41.96 39.23 1kfq s TYR 186 CO 0.02 -0.65 0.60 0.15 -1.11 0.00 0.00 175.55 174.56 1kfq s LYS 187 N 1.53 4.12 0.07 -0.62 1.02 -1.26 -1.75 119.74 122.84 1kfq s LYS 187 Ca 0.01 0.66 0.01 0.00 0.02 0.00 0.00 55.97 56.68 1kfq s LYS 187 Cb -0.19 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 1kfq s LYS 187 CO 0.06 0.51 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.88 1kfq s PHE 188 N -1.37 0.71 -0.19 3.18 0.40 0.41 -4.85 117.98 116.27 1kfq s PHE 188 Ca 0.36 -0.78 -0.05 0.00 -0.60 0.00 0.00 56.93 55.86 1kfq s PHE 188 Cb -0.17 -0.43 -0.03 0.00 0.51 0.00 0.00 43.02 42.90 1kfq s PHE 188 CO 0.20 -0.17 0.00 -1.21 0.70 0.00 0.00 175.22 174.74 1kfq s GLU 189 N -2.95 3.69 0.00 0.44 8.01 -1.26 -2.11 118.70 124.52 1kfq s GLU 189 Ca 0.02 -0.49 0.00 0.00 0.01 0.00 0.00 54.97 54.51 1kfq s GLU 189 Cb -0.00 -3.06 0.00 0.00 -4.31 0.00 0.00 34.13 26.76 1kfq s GLU 189 CO -0.04 0.12 0.00 0.41 0.01 0.00 0.00 175.26 175.76 1kfq n GLY 190 N 3.94 3.12 2.24 -1.39 0.00 0.29 -0.63 105.19 112.76 1kfq n GLY 190 Ca -0.17 -2.15 -0.25 0.00 0.00 0.00 0.00 46.02 43.46 1kfq n GLY 190 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1kfq n THR 191 N -0.49 -0.73 -4.21 2.61 -1.04 -1.06 -4.74 114.28 104.62 1kfq n THR 191 Ca 0.00 -3.92 -0.18 0.00 -2.04 0.00 0.00 64.05 57.91 1kfq n THR 191 Cb 0.00 -1.90 -0.11 0.00 -1.82 0.00 0.00 70.33 66.49 1kfq n THR 191 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1kfq s ARG 192 N -0.96 0.94 0.00 -2.82 0.52 -1.15 -3.89 118.95 111.59 1kfq s ARG 192 Ca 0.35 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 1kfq s ARG 192 Cb 0.14 -0.86 0.00 0.00 0.52 0.00 0.00 34.95 34.75 1kfq s ARG 192 CO -0.13 0.17 0.67 1.28 0.02 0.00 0.00 175.30 177.31 1kfq n LEU 193 N 0.80 0.00 -0.01 2.53 4.77 -1.26 -3.85 117.00 119.99 1kfq n LEU 193 Ca -0.18 0.67 -0.22 0.00 -0.03 0.00 0.00 56.01 56.25 1kfq n LEU 193 Cb 0.56 -0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1kfq n LEU 193 CO 0.25 -0.21 -0.72 -0.33 -1.33 0.00 0.00 177.39 175.06 1kfq h GLU 194 N 0.00 0.23 -5.81 3.23 3.07 -2.01 -3.46 114.58 109.82 1kfq h GLU 194 Ca 0.00 -0.39 -0.58 0.00 -0.50 0.00 0.00 59.36 57.88 1kfq h GLU 194 Cb 0.00 0.15 -0.07 0.00 -0.84 0.00 0.00 28.75 27.98 1kfq h GLU 194 CO 0.00 1.19 -0.16 0.15 -1.40 0.00 0.00 179.01 178.78 1kfq s LYS 195 N -2.52 4.22 0.00 2.33 1.02 -1.25 -4.93 119.74 118.61 1kfq s LYS 195 Ca -0.23 0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.20 1kfq s LYS 195 Cb 0.06 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1kfq s LYS 195 CO 0.74 0.33 0.34 -1.13 -0.92 0.00 0.00 175.35 174.71 1kfq n SER 196 N 3.08 0.68 -4.47 2.83 3.41 -1.26 -2.92 113.62 114.96 1kfq n SER 196 Ca -0.09 -0.84 -0.30 0.00 -0.26 0.00 0.00 58.87 57.38 1kfq n SER 196 Cb 0.52 0.42 -0.12 0.00 -0.26 0.00 0.00 64.21 64.77 1kfq n SER 196 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1kfq s HIS 197 N -0.54 2.54 -0.16 7.33 3.76 -1.26 0.11 115.29 127.06 1kfq s HIS 197 Ca 0.01 -0.26 -0.12 0.00 -0.15 0.00 0.00 55.06 54.53 1kfq s HIS 197 Cb 0.01 -1.39 0.05 0.00 1.11 0.00 0.00 32.58 32.36 1kfq s HIS 197 CO 0.03 0.34 0.41 0.12 -0.85 0.00 0.00 174.74 174.78 1kfq s PHE 198 N -1.06 -0.49 0.16 1.40 5.36 -0.90 -4.84 117.98 117.61 1kfq s PHE 198 Ca 0.17 1.15 0.04 0.00 -0.96 0.00 0.00 56.93 57.33 1kfq s PHE 198 Cb -0.11 0.19 -0.05 0.00 -0.34 0.00 0.00 43.02 42.72 1kfq s PHE 198 CO 0.08 -0.25 -0.09 -1.21 -1.46 0.00 0.00 175.22 172.29 1kfq s GLU 199 N 0.60 1.10 -0.13 10.12 2.02 -0.87 -0.44 118.70 131.09 1kfq s GLU 199 Ca -0.03 -1.48 -0.03 0.00 0.02 0.00 0.00 54.97 53.44 1kfq s GLU 199 Cb -0.05 -0.61 0.05 0.00 0.10 0.00 0.00 34.13 33.62 1kfq s GLU 199 CO -0.04 0.05 0.06 0.08 0.02 0.00 0.00 175.26 175.43 1kfq s VAL 200 N -3.35 0.07 -0.32 2.63 1.01 -0.72 -2.52 120.40 117.21 1kfq s VAL 200 Ca 0.18 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 1kfq s VAL 200 Cb 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.88 1kfq s VAL 200 CO 0.02 -0.08 0.14 -0.75 0.00 0.00 0.00 175.10 174.43 1kfq s LYS 201 N 2.08 3.16 -0.15 2.72 2.20 -0.70 -0.47 119.74 128.57 1kfq s LYS 201 Ca 0.03 -0.84 -0.18 0.00 -0.36 0.00 0.00 55.97 54.62 1kfq s LYS 201 Cb -0.15 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1kfq s LYS 201 CO -0.07 -0.48 0.50 0.14 -0.36 0.00 0.00 175.35 175.08 1kfq s VAL 202 N 1.57 5.15 0.15 4.02 -7.23 -0.25 -1.92 120.40 121.89 1kfq s VAL 202 Ca 0.03 0.97 0.05 0.00 -1.81 0.00 0.00 61.98 61.22 1kfq s VAL 202 Cb -0.18 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 32.89 1kfq s VAL 202 CO 0.05 0.26 0.09 0.54 -0.31 0.00 0.00 175.10 175.73 1kfq s VAL 203 N 1.06 4.31 0.06 1.32 0.11 0.20 -2.23 120.40 125.21 1kfq s VAL 203 Ca 0.25 -1.10 -0.33 0.00 -2.93 0.00 0.00 61.98 57.87 1kfq s VAL 203 Cb -0.15 -3.17 -0.12 0.00 -1.53 0.00 0.00 36.38 31.41 1kfq s VAL 203 CO 0.10 -0.06 1.76 -0.67 -3.33 0.00 0.00 175.10 172.90 1kfq n ASP 204 N -0.13 3.48 0.26 3.54 -0.08 -1.26 -1.41 116.55 120.94 1kfq n ASP 204 Ca -0.09 1.01 0.17 0.00 -1.51 0.00 0.00 54.79 54.38 1kfq n ASP 204 Cb 0.54 -1.44 0.77 0.00 2.34 0.00 0.00 41.12 43.33 1kfq n ASP 204 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kfq h THR 205 N 4.60 0.00 0.00 5.18 1.03 -1.88 -3.31 112.91 118.54 1kfq h THR 205 Ca -0.47 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 65.60 1kfq h THR 205 Cb 1.25 1.26 0.00 0.00 -1.07 0.00 0.00 68.15 69.59 1kfq h THR 205 CO 0.93 0.00 0.00 1.33 -0.01 0.00 0.00 175.52 177.77 1kfq n VAL 206 N -2.91 0.00 0.51 0.00 0.24 -1.26 -4.78 118.33 110.14 1kfq n VAL 206 Ca -0.00 -0.39 -0.21 0.00 -2.04 0.00 0.00 64.34 61.70 1kfq n VAL 206 Cb 0.23 1.02 -0.10 0.00 -1.47 0.00 0.00 33.84 33.52 1kfq n VAL 206 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1kfq h GLN 207 N 0.00 -1.27 -0.84 7.34 4.15 -1.97 -2.16 115.11 120.37 1kfq h GLN 207 Ca 0.00 0.09 0.03 0.00 0.77 0.00 0.00 58.65 59.53 1kfq h GLN 207 Cb 0.01 0.29 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 1kfq h GLN 207 CO 0.00 -0.85 0.55 -0.44 -1.93 0.00 0.00 178.83 176.16 1kfq h ASP 208 N -1.32 0.91 -0.42 -0.69 3.32 -1.90 -2.38 116.42 113.94 1kfq h ASP 208 Ca -0.13 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 1kfq h ASP 208 Cb 1.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1kfq h ASP 208 CO 0.20 0.64 -0.15 0.22 -1.72 0.00 0.00 179.24 178.43 1kfq h TYR 209 N 1.06 1.00 -0.53 4.55 3.20 -1.87 -2.92 116.97 121.46 1kfq h TYR 209 Ca 0.33 -0.21 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 1kfq h TYR 209 Cb -0.01 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 1kfq h TYR 209 CO -0.00 0.98 0.02 1.15 -1.64 0.00 0.00 178.16 178.67 1kfq h THR 210 N 0.79 1.25 -0.33 1.81 2.02 -0.95 -1.28 112.91 116.22 1kfq h THR 210 Ca 0.12 -1.02 0.03 0.00 0.77 0.00 0.00 66.41 66.31 1kfq h THR 210 Cb 0.68 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1kfq h THR 210 CO 0.05 0.37 0.15 1.56 0.37 0.00 0.00 175.52 178.02 1kfq h GLN 211 N 0.82 0.31 -0.44 6.66 1.08 -1.27 0.84 115.11 123.11 1kfq h GLN 211 Ca 0.16 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1kfq h GLN 211 Cb 0.45 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1kfq h GLN 211 CO 0.02 0.21 0.22 1.25 -0.95 0.00 0.00 178.83 179.58 1kfq h LEU 212 N 0.32 0.57 -1.05 1.46 5.85 -1.31 -2.56 115.31 118.59 1kfq h LEU 212 Ca 0.14 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1kfq h LEU 212 Cb 0.06 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1kfq h LEU 212 CO -0.11 0.52 0.58 0.24 -0.34 0.00 0.00 178.44 179.34 1kfq h MET 213 N 0.58 1.23 0.00 1.25 2.86 -0.83 -1.59 114.93 118.42 1kfq h MET 213 Ca 0.15 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1kfq h MET 213 Cb 0.09 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.49 1kfq h MET 213 CO -0.02 0.83 0.00 1.04 1.06 0.00 0.00 176.91 179.82 1kfq n GLN 214 N -4.38 0.15 -0.02 1.72 6.02 0.25 -0.79 117.38 120.34 1kfq n GLN 214 Ca 0.10 0.37 -0.13 0.00 -0.01 0.00 0.00 57.00 57.34 1kfq n GLN 214 Cb 0.04 -1.78 -0.14 0.00 1.02 0.00 0.00 30.24 29.37 1kfq n GLN 214 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1kfq n LYS 215 N -2.07 0.68 0.11 -1.09 4.81 -0.68 -4.31 118.16 115.60 1kfq n LYS 215 Ca 0.03 0.26 -0.17 0.00 -0.87 0.00 0.00 58.31 57.56 1kfq n LYS 215 Cb 0.23 -1.74 -0.13 0.00 0.02 0.00 0.00 35.03 33.41 1kfq n LYS 215 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1kfq h LEU 216 N 0.02 0.54 -9.38 3.14 3.38 -0.86 -3.47 115.31 108.68 1kfq h LEU 216 Ca -0.36 -0.55 -0.60 0.00 0.09 0.00 0.00 57.88 56.47 1kfq h LEU 216 Cb 2.03 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 42.48 1kfq h LEU 216 CO 0.07 1.41 -0.70 -0.36 0.09 0.00 0.00 178.44 178.95 1kfq s PHE 217 N -2.77 2.41 -0.60 1.13 0.08 0.03 -4.92 117.98 113.35 1kfq s PHE 217 Ca -0.05 -0.39 -0.17 0.00 0.12 0.00 0.00 56.93 56.43 1kfq s PHE 217 Cb 0.07 -1.21 0.12 0.00 -0.57 0.00 0.00 43.02 41.43 1kfq s PHE 217 CO 0.89 0.63 0.64 0.34 -0.10 0.00 0.00 175.22 177.63 1kfq s ASP 218 N -3.59 6.23 0.46 1.36 -1.08 -1.26 -4.59 116.67 114.20 1kfq s ASP 218 Ca 0.32 -1.67 0.19 0.00 -0.52 0.00 0.00 52.55 50.87 1kfq s ASP 218 Cb -0.02 -2.26 1.09 0.00 -1.46 0.00 0.00 42.92 40.27 1kfq s ASP 218 CO 0.17 -0.98 1.98 -0.26 0.52 0.00 0.00 175.17 176.59 1kfq h PHE 219 N 8.98 0.00 -0.21 -5.34 -1.00 -1.92 -1.72 116.94 115.73 1kfq h PHE 219 Ca -0.26 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.40 1kfq h PHE 219 Cb 1.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.64 1kfq h PHE 219 CO 0.82 0.20 -0.40 -0.44 -1.61 0.00 0.00 178.31 176.88 1kfq h ASP 220 N 0.00 0.50 0.29 2.17 3.45 -1.98 0.12 116.42 120.98 1kfq h ASP 220 Ca -0.00 -0.22 -0.01 0.00 0.43 0.00 0.00 57.03 57.22 1kfq h ASP 220 Cb 0.40 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1kfq h ASP 220 CO 0.03 0.85 -0.14 0.25 -1.57 0.00 0.00 179.24 178.66 1kfq h LEU 221 N 0.40 -0.33 -1.20 1.55 5.85 -1.81 -3.05 115.31 116.70 1kfq h LEU 221 Ca 0.04 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.64 1kfq h LEU 221 Cb 0.88 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1kfq h LEU 221 CO 0.07 0.03 0.56 -0.07 -0.34 0.00 0.00 178.44 178.70 1kfq h LEU 222 N -0.75 0.84 -1.84 2.25 3.38 -1.25 -1.62 115.31 116.32 1kfq h LEU 222 Ca -0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1kfq h LEU 222 Cb 0.50 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1kfq h LEU 222 CO 0.07 0.54 0.00 0.11 0.09 0.00 0.00 178.44 179.24 1kfq h LYS 223 N 0.95 0.09 0.00 1.13 1.57 -0.72 -1.58 116.57 118.02 1kfq h LYS 223 Ca 0.38 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.09 1kfq h LYS 223 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1kfq h LYS 223 CO -0.14 0.11 -0.27 0.78 -0.57 0.00 0.00 179.45 179.35 1kfq h GLY 224 N 0.22 0.00 0.56 3.86 0.00 -1.19 -2.14 103.07 104.37 1kfq h GLY 224 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 1kfq h GLY 224 CO 0.00 0.00 -0.36 -2.00 0.00 0.00 0.00 176.54 174.18 1kfq h LEU 225 N 0.00 0.32 -1.72 3.11 6.46 -1.25 -2.70 115.31 119.53 1kfq h LEU 225 Ca -0.00 -0.77 0.00 0.00 -0.12 0.00 0.00 57.88 56.98 1kfq h LEU 225 Cb 0.91 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1kfq h LEU 225 CO 0.04 1.05 0.00 -0.26 -0.62 0.00 0.00 178.44 178.65 1kfq h PHE 226 N -0.38 0.00 0.00 1.25 -1.00 -1.23 -1.12 116.94 114.46 1kfq h PHE 226 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1kfq h PHE 226 Cb 1.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.67 1kfq h PHE 226 CO 0.17 0.00 -1.04 0.43 -1.61 0.00 0.00 178.31 176.26 1kfq n SER 227 N -2.64 0.66 -4.66 2.17 7.64 -0.82 -4.87 113.62 111.10 1kfq n SER 227 Ca -0.01 0.08 -0.44 0.00 1.01 0.00 0.00 58.87 59.51 1kfq n SER 227 Cb 0.14 0.67 -0.04 0.00 -1.01 0.00 0.00 64.21 63.97 1kfq n SER 227 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1kfq n ASN 228 N -2.29 3.81 -0.00 6.43 2.85 -0.43 -4.85 115.26 120.78 1kfq n ASN 228 Ca 0.01 0.85 0.21 0.00 -0.11 0.00 0.00 54.58 55.54 1kfq n ASN 228 Cb 0.49 -1.47 0.71 0.00 1.24 0.00 0.00 39.78 40.75 1kfq n ASN 228 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1kfq h LYS 229 N 10.65 0.00 -0.14 1.20 -0.00 -1.90 -1.16 116.57 125.22 1kfq h LYS 229 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 1kfq h LYS 229 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 1kfq h LYS 229 CO 0.95 0.00 0.00 -0.25 -0.00 0.00 0.00 179.45 180.15 1kfq n ASP 230 N -4.22 1.39 -4.47 7.07 10.43 -1.26 -4.85 116.55 120.63 1kfq n ASP 230 Ca 0.10 -1.67 -0.39 0.00 2.57 0.00 0.00 54.79 55.40 1kfq n ASP 230 Cb 0.65 -0.09 -0.11 0.00 1.84 0.00 0.00 41.12 43.41 1kfq n ASP 230 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 1kfq s PHE 231 N -1.82 3.20 -0.12 1.24 5.36 -0.44 -4.91 117.98 120.50 1kfq s PHE 231 Ca 0.31 -0.45 -0.02 0.00 -0.96 0.00 0.00 56.93 55.81 1kfq s PHE 231 Cb 0.16 -2.41 -0.03 0.00 -0.34 0.00 0.00 43.02 40.40 1kfq s PHE 231 CO 0.25 -0.43 -0.03 -1.54 -1.46 0.00 0.00 175.22 172.01 1kfq s SER 232 N 1.66 4.91 -0.01 6.13 1.04 -1.26 -4.93 113.70 121.24 1kfq s SER 232 Ca 0.05 -0.02 0.06 0.00 0.48 0.00 0.00 55.95 56.52 1kfq s SER 232 Cb -0.17 -1.56 -0.02 0.00 0.10 0.00 0.00 66.02 64.37 1kfq s SER 232 CO 0.08 0.27 -0.19 0.12 0.98 0.00 0.00 173.24 174.51 1kfq s PHE 233 N -0.25 1.67 -0.03 5.02 5.36 -1.26 -2.12 117.98 126.37 1kfq s PHE 233 Ca 0.05 -0.32 -0.01 0.00 -0.96 0.00 0.00 56.93 55.69 1kfq s PHE 233 Cb -0.13 -1.07 0.03 0.00 -0.34 0.00 0.00 43.02 41.52 1kfq s PHE 233 CO 0.02 -0.02 0.05 1.03 -1.46 0.00 0.00 175.22 174.84 1kfq s ARG 234 N -0.50 -0.04 -0.07 10.12 1.81 -0.13 -4.43 118.95 125.72 1kfq s ARG 234 Ca 0.07 0.24 -0.00 0.00 -1.72 0.00 0.00 55.73 54.32 1kfq s ARG 234 Cb -0.07 -0.29 0.02 0.00 -0.45 0.00 0.00 34.95 34.16 1kfq s ARG 234 CO -0.01 -0.20 -0.03 0.12 -0.68 0.00 0.00 175.30 174.50 1kfq s PHE 235 N 1.30 0.88 -0.48 -0.53 5.36 -0.61 -1.02 117.98 122.89 1kfq s PHE 235 Ca -0.06 -0.30 -0.15 0.00 -0.96 0.00 0.00 56.93 55.46 1kfq s PHE 235 Cb -0.13 -0.85 0.08 0.00 -0.34 0.00 0.00 43.02 41.79 1kfq s PHE 235 CO -0.03 -0.32 0.39 0.34 -1.46 0.00 0.00 175.22 174.14 1kfq s ASP 236 N 1.53 6.08 0.00 6.13 2.15 0.43 -1.22 116.67 131.78 1kfq s ASP 236 Ca -0.01 -1.42 0.23 0.00 0.43 0.00 0.00 52.55 51.77 1kfq s ASP 236 Cb -0.13 -2.16 1.29 0.00 -0.30 0.00 0.00 42.92 41.62 1kfq s ASP 236 CO -0.04 -0.66 1.73 0.61 -0.17 0.00 0.00 175.17 176.64 1kfq n GLY 237 N 5.17 -0.80 1.94 2.66 0.00 0.05 -3.45 105.19 110.76 1kfq n GLY 237 Ca -0.12 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.70 1kfq n GLY 237 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kfq n MET 238 N -1.08 -1.79 -1.70 1.61 0.00 -1.23 -0.46 117.12 112.47 1kfq n MET 238 Ca 0.15 0.36 -0.13 0.00 0.00 0.00 0.00 57.70 58.08 1kfq n MET 238 Cb 0.11 -4.68 -0.04 0.00 0.00 0.00 0.00 33.22 28.61 1kfq n MET 238 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1kfq n HIS 239 N -2.13 -0.23 -3.14 2.03 8.25 0.07 -4.71 115.22 115.36 1kfq n HIS 239 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1kfq n HIS 239 Cb 0.37 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 28.94 1kfq n HIS 239 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kfq n GLY 240 N -1.25 3.10 0.17 -1.41 0.00 0.40 -1.83 105.19 104.36 1kfq n GLY 240 Ca -0.14 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 43.87 1kfq n GLY 240 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1kfq h VAL 241 N 0.29 0.00 0.00 1.61 3.04 -1.23 -2.57 116.25 117.39 1kfq h VAL 241 Ca 0.00 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 1kfq h VAL 241 Cb 0.00 0.74 -0.00 0.00 -2.01 0.00 0.00 31.29 30.02 1kfq h VAL 241 CO 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 177.57 176.52 1kfq h ALA 242 N 2.10 1.03 -0.40 3.17 0.00 -1.81 -3.33 119.26 120.01 1kfq h ALA 242 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1kfq h ALA 242 Cb 0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1kfq h ALA 242 CO 0.00 0.05 -0.32 0.78 0.00 0.00 0.00 179.25 179.76 1kfq h GLY 243 N 1.60 -1.58 0.22 0.00 0.00 -1.69 -0.90 103.07 100.73 1kfq h GLY 243 Ca -0.00 0.88 0.19 0.00 0.00 0.00 0.00 47.33 48.40 1kfq h GLY 243 CO 0.01 -0.42 0.61 -2.55 0.00 0.00 0.00 176.54 174.18 1kfq h PRO 244 N -0.10 0.66 -0.14 4.80 0.11 -1.73 -0.38 132.00 135.22 1kfq h PRO 244 Ca 0.07 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 1kfq h PRO 244 Cb 0.27 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 1kfq h PRO 244 CO -0.43 0.44 -0.06 1.88 -0.21 0.00 0.00 178.00 179.61 1kfq h TYR 245 N 0.68 0.33 -0.13 0.65 -1.99 -1.54 -1.42 116.97 113.55 1kfq h TYR 245 Ca 0.54 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 61.18 1kfq h TYR 245 Cb 0.94 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 1kfq h TYR 245 CO -0.00 0.62 0.07 0.00 -0.00 0.00 0.00 178.16 178.84 1kfq h ALA 246 N 0.66 0.17 -0.73 3.88 0.00 -0.58 -0.04 119.26 122.62 1kfq h ALA 246 Ca 0.03 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1kfq h ALA 246 Cb 0.53 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1kfq h ALA 246 CO 0.02 -0.29 0.40 0.87 0.00 0.00 0.00 179.25 180.25 1kfq h LYS 247 N 0.10 0.69 0.07 0.00 1.57 -1.06 -1.19 116.57 116.76 1kfq h LYS 247 Ca 0.05 -0.04 -0.29 0.00 -1.87 0.00 0.00 60.65 58.50 1kfq h LYS 247 Cb 0.09 -0.16 0.03 0.00 0.08 0.00 0.00 32.23 32.27 1kfq h LYS 247 CO -0.01 0.45 -1.17 1.25 -0.57 0.00 0.00 179.45 179.40 1kfq h HIS 248 N 0.71 1.04 0.00 -1.35 2.76 -1.04 -2.48 115.15 114.79 1kfq h HIS 248 Ca 0.35 -0.62 -0.01 0.00 -2.20 0.00 0.00 60.37 57.89 1kfq h HIS 248 Cb 0.29 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 1kfq h HIS 248 CO -0.08 1.46 -0.19 0.82 -1.30 0.00 0.00 177.93 178.64 1kfq h ILE 249 N 0.33 0.18 -0.27 6.26 2.04 -0.91 -1.96 117.51 123.19 1kfq h ILE 249 Ca -0.17 -1.16 -0.12 0.00 1.00 0.00 0.00 64.86 64.41 1kfq h ILE 249 Cb 1.84 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1kfq h ILE 249 CO 0.23 0.06 -0.35 -0.26 0.00 0.00 0.00 178.15 177.83 1kfq h PHE 250 N -1.00 0.68 0.00 1.37 0.04 -1.40 -0.34 116.94 116.29 1kfq h PHE 250 Ca -0.01 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1kfq h PHE 250 Cb 0.27 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1kfq h PHE 250 CO -0.03 0.85 0.00 0.41 -0.60 0.00 0.00 178.31 178.94 1kfq n GLY 251 N -0.11 -0.21 0.17 -1.45 0.00 -1.17 -0.25 105.19 102.15 1kfq n GLY 251 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1kfq n GLY 251 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kfq h THR 252 N 0.00 0.64 0.05 2.61 2.02 -1.43 0.11 112.91 116.91 1kfq h THR 252 Ca 0.00 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.97 1kfq h THR 252 Cb 0.00 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1kfq h THR 252 CO 0.00 0.00 -1.08 -0.07 0.37 0.00 0.00 175.52 174.74 1kfq h LEU 253 N -0.08 0.16 0.00 2.58 3.38 -1.35 -3.38 115.31 116.62 1kfq h LEU 253 Ca 0.13 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1kfq h LEU 253 Cb 0.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1kfq h LEU 253 CO -0.30 1.45 -0.37 -0.07 0.09 0.00 0.00 178.44 179.24 1kfq h LEU 254 N -0.70 0.00 0.00 1.67 3.38 -1.16 -3.49 115.31 115.02 1kfq h LEU 254 Ca -0.26 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1kfq h LEU 254 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1kfq h LEU 254 CO -0.05 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1kfq n GLY 255 N 1.20 0.76 3.79 0.83 0.00 0.39 -4.66 105.19 107.49 1kfq n GLY 255 Ca 0.03 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1kfq n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfq s SER 257 N -3.23 5.05 0.21 0.00 1.04 -1.26 -4.63 113.70 110.88 1kfq s SER 257 Ca 0.62 1.96 -0.08 0.00 0.48 0.00 0.00 55.95 58.93 1kfq s SER 257 Cb -0.16 -2.55 0.16 0.00 0.10 0.00 0.00 66.02 63.57 1kfq s SER 257 CO 0.48 -1.67 1.81 0.11 0.98 0.00 0.00 173.24 174.95 1kfq h LYS 258 N -0.13 1.14 0.00 4.02 6.56 -1.97 -2.08 116.57 124.10 1kfq h LYS 258 Ca -0.46 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 58.97 1kfq h LYS 258 Cb 1.24 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 1kfq h LYS 258 CO 0.54 0.87 0.00 -0.85 -2.06 0.00 0.00 179.45 177.95 1kfq n GLU 259 N -4.37 0.06 0.18 3.15 0.28 -1.26 -2.12 120.64 116.56 1kfq n GLU 259 Ca 0.07 0.39 0.13 0.00 -0.16 0.00 0.00 57.16 57.59 1kfq n GLU 259 Cb 0.12 -1.64 0.35 0.00 1.43 0.00 0.00 31.44 31.71 1kfq n GLU 259 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1kfq h SER 260 N 0.00 0.00 -3.59 -1.84 0.02 -1.58 -3.43 113.55 103.13 1kfq h SER 260 Ca 0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 1kfq h SER 260 Cb 0.20 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.53 1kfq h SER 260 CO 0.00 0.00 -0.46 -0.76 -1.14 0.00 0.00 176.83 174.47 1kfq s LEU 261 N -5.41 4.83 -0.15 5.07 1.43 -0.90 -1.57 118.68 121.99 1kfq s LEU 261 Ca 0.07 -0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 1kfq s LEU 261 Cb 0.09 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1kfq s LEU 261 CO 0.60 -0.36 0.02 -0.76 0.23 0.00 0.00 176.35 176.08 1kfq s LEU 262 N 1.68 3.61 -1.49 1.79 1.43 -0.35 -4.55 118.68 120.80 1kfq s LEU 262 Ca 0.05 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 1kfq s LEU 262 Cb -0.18 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.24 1kfq s LEU 262 CO 0.10 0.23 0.83 0.59 0.23 0.00 0.00 176.35 178.33 1kfq n ASN 263 N 3.15 -4.69 -1.79 2.29 5.03 -1.26 -0.77 115.26 117.22 1kfq n ASN 263 Ca -0.17 -0.65 -0.16 0.00 0.87 0.00 0.00 54.58 54.47 1kfq n ASN 263 Cb 0.53 -3.77 0.11 0.00 -1.02 0.00 0.00 39.78 35.62 1kfq n ASN 263 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kfq s ASP 265 N -0.45 4.16 0.31 0.00 -0.00 -1.26 -4.19 116.67 115.24 1kfq s ASP 265 Ca 0.36 -1.23 -0.29 0.00 -0.00 0.00 0.00 52.55 51.39 1kfq s ASP 265 Cb 0.30 -1.54 -0.13 0.00 -0.00 0.00 0.00 42.92 41.56 1kfq s ASP 265 CO 0.06 -0.15 1.29 -2.65 -0.00 0.00 0.00 175.17 173.72 1kfq n PRO 266 N 4.47 2.02 -4.25 8.23 -0.02 -1.26 -4.59 135.00 139.61 1kfq n PRO 266 Ca -0.16 0.71 -0.17 0.00 -2.02 0.00 0.00 63.50 61.86 1kfq n PRO 266 Cb 0.44 -2.29 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 1kfq n PRO 266 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1kfq s SER 267 N -0.20 1.23 0.44 2.55 0.15 -0.76 -4.99 113.70 112.12 1kfq s SER 267 Ca 0.59 -0.40 0.30 0.00 0.70 0.00 0.00 55.95 57.14 1kfq s SER 267 Cb -0.60 -0.06 1.30 0.00 -1.71 0.00 0.00 66.02 64.95 1kfq s SER 267 CO 0.59 -0.02 1.90 -0.33 1.20 0.00 0.00 173.24 176.58 1kfq h GLU 268 N 5.07 0.00 -0.00 5.44 5.08 -1.89 -2.61 114.58 125.67 1kfq h GLU 268 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1kfq h GLU 268 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1kfq h GLU 268 CO 0.45 0.00 -0.01 -0.40 -1.00 0.00 0.00 179.01 178.05 1kfq n ASP 269 N -2.72 1.05 -1.21 1.42 5.75 -1.26 -1.22 116.55 118.36 1kfq n ASP 269 Ca 0.01 -1.02 -0.13 0.00 -0.01 0.00 0.00 54.79 53.63 1kfq n ASP 269 Cb 0.24 0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 40.40 1kfq n ASP 269 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1kfq n PHE 270 N -0.01 -0.28 -0.87 2.11 3.72 -0.98 -2.21 117.46 118.93 1kfq n PHE 270 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1kfq n PHE 270 Cb 0.05 -2.58 0.00 0.00 -0.94 0.00 0.00 39.48 36.01 1kfq n PHE 270 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kfq n GLY 271 N -1.22 1.06 0.00 1.37 0.00 -1.26 -3.37 105.19 101.77 1kfq n GLY 271 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1kfq n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfq n GLY 272 N -2.00 0.31 1.60 -0.02 0.00 -0.94 -5.08 105.19 99.06 1kfq n GLY 272 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1kfq n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfq n GLY 273 N -1.64 2.16 3.57 -0.02 0.00 -1.22 -5.03 105.19 103.02 1kfq n GLY 273 Ca 0.00 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 1kfq n GLY 273 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kfq s HIS 274 N -0.63 3.18 -1.17 1.61 0.09 -1.26 -4.63 115.29 112.48 1kfq s HIS 274 Ca 0.22 0.28 -0.09 0.00 -0.00 0.00 0.00 55.06 55.47 1kfq s HIS 274 Cb -0.02 -2.99 -0.07 0.00 -0.00 0.00 0.00 32.58 29.50 1kfq s HIS 274 CO 0.14 -0.55 2.37 -2.30 -0.00 0.00 0.00 174.74 174.40 1kfq n PRO 275 N 5.84 2.59 -4.08 8.40 -0.02 -1.25 -4.77 135.00 141.71 1kfq n PRO 275 Ca -0.03 -1.82 -0.33 0.00 -2.02 0.00 0.00 63.50 59.29 1kfq n PRO 275 Cb 0.49 -2.68 -0.16 0.00 -0.02 0.00 0.00 33.50 31.13 1kfq n PRO 275 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1kfq s ASP 276 N 3.18 3.37 -0.58 2.55 -1.08 -1.26 -1.56 116.67 121.28 1kfq s ASP 276 Ca 0.51 -0.63 -0.27 0.00 -0.52 0.00 0.00 52.55 51.65 1kfq s ASP 276 Cb 0.13 -1.53 0.03 0.00 -1.46 0.00 0.00 42.92 40.10 1kfq s ASP 276 CO -0.03 -0.01 1.10 -2.16 0.52 0.00 0.00 175.17 174.59 1kfq s PRO 277 N 1.32 3.42 0.14 4.34 0.04 -1.26 -3.83 135.00 139.16 1kfq s PRO 277 Ca 0.05 0.01 -0.25 0.00 0.04 0.00 0.00 61.00 60.85 1kfq s PRO 277 Cb -0.13 -4.04 0.07 0.00 0.04 0.00 0.00 34.50 30.43 1kfq s PRO 277 CO -0.11 -1.64 0.97 0.54 0.04 0.00 0.00 177.00 176.80 1kfq s ASN 278 N 2.97 -0.19 0.46 6.66 2.20 -1.26 -4.64 114.94 121.15 1kfq s ASN 278 Ca 0.37 -0.36 0.26 0.00 -0.94 0.00 0.00 52.86 52.19 1kfq s ASN 278 Cb -0.09 0.47 1.30 0.00 -2.00 0.00 0.00 41.25 40.92 1kfq s ASN 278 CO 0.22 -0.86 1.77 -0.07 -2.94 0.00 0.00 177.10 175.22 1kfq h LEU 279 N 2.00 0.26 0.00 3.54 3.38 -1.92 0.03 115.31 122.61 1kfq h LEU 279 Ca -0.24 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1kfq h LEU 279 Cb 1.23 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1kfq h LEU 279 CO 0.26 0.03 -0.00 0.74 0.09 0.00 0.00 178.44 179.56 1kfq h THR 280 N 0.22 0.00 0.00 0.22 2.02 -1.96 -3.31 112.91 110.10 1kfq h THR 280 Ca 0.60 -0.45 -0.11 0.00 0.77 0.00 0.00 66.41 67.22 1kfq h THR 280 Cb 1.89 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1kfq h THR 280 CO -0.20 0.00 -0.53 1.88 0.37 0.00 0.00 175.52 177.03 1kfq h TYR 281 N -0.46 0.00 -0.94 3.16 0.05 -1.78 -2.98 116.97 114.03 1kfq h TYR 281 Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 1kfq h TYR 281 Cb 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 37.46 1kfq h TYR 281 CO 0.00 0.53 0.68 0.00 -1.05 0.00 0.00 178.16 178.32 1kfq n ALA 282 N -2.36 5.64 0.22 3.88 0.00 -0.01 -4.65 120.51 123.23 1kfq n ALA 282 Ca -0.01 -2.87 0.11 0.00 0.00 0.00 0.00 53.44 50.68 1kfq n ALA 282 Cb 0.59 -1.51 0.69 0.00 0.00 0.00 0.00 19.45 19.22 1kfq n ALA 282 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1kfq h HIS 283 N 1.22 0.00 -0.28 0.00 2.07 -1.61 -2.13 115.15 114.42 1kfq h HIS 283 Ca 0.59 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.11 1kfq h HIS 283 Cb 2.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 32.19 1kfq h HIS 283 CO 1.46 0.00 0.15 -0.44 -3.07 0.00 0.00 177.93 176.03 1kfq h ASP 284 N 0.00 0.36 -0.66 3.10 5.19 -1.88 -0.09 116.42 122.44 1kfq h ASP 284 Ca 0.05 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1kfq h ASP 284 Cb 0.19 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 1kfq h ASP 284 CO -0.00 0.35 0.35 0.25 -3.12 0.00 0.00 179.24 177.07 1kfq h LEU 285 N 0.34 0.83 -0.96 1.55 6.46 -1.78 -1.97 115.31 119.79 1kfq h LEU 285 Ca 0.10 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.68 1kfq h LEU 285 Cb 0.08 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 1kfq h LEU 285 CO -0.02 0.70 -0.09 0.58 -0.62 0.00 0.00 178.44 178.99 1kfq h VAL 286 N 0.90 1.24 -0.06 1.05 2.07 -1.13 -2.12 116.25 118.21 1kfq h VAL 286 Ca 0.23 -1.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.56 1kfq h VAL 286 Cb 0.06 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1kfq h VAL 286 CO -0.03 0.36 -0.52 -0.08 0.02 0.00 0.00 177.57 177.31 1kfq h GLU 287 N 0.61 0.16 0.39 1.57 4.81 -0.74 -2.14 114.58 119.24 1kfq h GLU 287 Ca 0.11 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1kfq h GLU 287 Cb 0.52 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1kfq h GLU 287 CO 0.03 0.65 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.70 1kfq h LEU 288 N 0.12 -0.45 0.00 1.64 3.38 -0.77 -2.56 115.31 116.68 1kfq h LEU 288 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1kfq h LEU 288 Cb 0.97 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1kfq h LEU 288 CO 0.08 -0.27 0.00 0.18 0.09 0.00 0.00 178.44 178.51 1kfq n LEU 289 N -3.68 0.00 -3.96 1.67 4.32 -0.85 -4.62 117.00 109.88 1kfq n LEU 289 Ca -0.07 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.55 1kfq n LEU 289 Cb 0.21 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.02 1kfq n LEU 289 CO 0.16 0.00 -0.18 -0.67 -1.22 0.00 0.00 177.39 175.48 1kfq n ASP 290 N -0.77 -3.39 0.04 -1.43 2.03 -0.86 0.61 116.55 112.78 1kfq n ASP 290 Ca 0.04 -1.16 0.15 0.00 0.52 0.00 0.00 54.79 54.34 1kfq n ASP 290 Cb 0.02 -2.43 0.63 0.00 -0.72 0.00 0.00 41.12 38.62 1kfq n ASP 290 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1kfq h ILE 291 N -2.19 0.84 -0.73 5.18 5.03 -1.69 -1.50 117.51 122.45 1kfq h ILE 291 Ca -0.68 -0.03 -0.31 0.00 -0.12 0.00 0.00 64.86 63.71 1kfq h ILE 291 Cb 1.39 0.73 -0.19 0.00 -3.03 0.00 0.00 36.82 35.72 1kfq h ILE 291 CO 0.54 0.02 0.39 1.41 -0.68 0.00 0.00 178.15 179.84 1kfq n HIS 292 N -4.44 2.32 -3.45 1.37 8.25 -1.26 -4.63 115.22 113.38 1kfq n HIS 292 Ca 0.07 -1.34 -0.18 0.00 -0.26 0.00 0.00 57.72 56.01 1kfq n HIS 292 Cb 0.43 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.82 1kfq n HIS 292 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1kfq n LYS 293 N -0.48 -0.87 0.00 -0.41 5.02 -0.56 -4.89 118.16 115.96 1kfq n LYS 293 Ca 0.42 0.33 0.02 0.00 -2.02 0.00 0.00 58.31 57.07 1kfq n LYS 293 Cb 1.36 -1.33 0.01 0.00 -0.02 0.00 0.00 35.03 35.05 1kfq n LYS 293 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1kfq n LYS 294 N -2.19 0.99 -4.56 1.97 5.02 -1.26 -5.06 118.16 113.07 1kfq n LYS 294 Ca -0.18 -0.63 -0.26 0.00 -2.02 0.00 0.00 58.31 55.23 1kfq n LYS 294 Cb 0.42 -1.01 -0.10 0.00 -0.02 0.00 0.00 35.03 34.32 1kfq n LYS 294 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1kfq s LYS 295 N -0.65 1.88 0.01 1.97 1.02 -1.26 -5.09 119.74 117.63 1kfq s LYS 295 Ca 0.05 -2.11 -0.30 0.00 0.02 0.00 0.00 55.97 53.63 1kfq s LYS 295 Cb 0.04 -1.13 -0.07 0.00 -0.52 0.00 0.00 37.83 36.16 1kfq s LYS 295 CO 0.09 -0.24 1.55 -0.51 -0.92 0.00 0.00 175.35 175.32 1kfq s ASP 296 N -3.64 6.72 0.32 2.83 1.01 -1.26 -4.90 116.67 117.75 1kfq s ASP 296 Ca 0.28 2.28 0.10 0.00 0.71 0.00 0.00 52.55 55.91 1kfq s ASP 296 Cb 0.07 -2.56 0.91 0.00 1.01 0.00 0.00 42.92 42.35 1kfq s ASP 296 CO 0.14 -0.83 1.70 0.58 0.21 0.00 0.00 175.17 176.96 1kfq h VAL 297 N 5.03 0.44 0.00 -1.27 2.07 -1.98 -0.18 116.25 120.36 1kfq h VAL 297 Ca -0.40 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1kfq h VAL 297 Cb 1.19 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1kfq h VAL 297 CO 0.93 0.08 0.00 1.23 0.02 0.00 0.00 177.57 179.83 1kfq h GLY 298 N 0.45 0.00 -1.20 2.17 0.00 -2.02 -2.91 103.07 99.56 1kfq h GLY 298 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1kfq h GLY 298 CO -0.54 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 174.70 1kfq n THR 299 N -2.47 0.13 -3.66 4.70 -2.24 -0.08 -4.89 114.28 105.76 1kfq n THR 299 Ca 0.02 -0.41 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 1kfq n THR 299 Cb 0.26 0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 69.18 1kfq n THR 299 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1kfq s VAL 300 N -1.87 5.25 0.61 2.28 1.01 -1.10 -5.02 120.40 121.56 1kfq s VAL 300 Ca 0.34 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 1kfq s VAL 300 Cb 0.20 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 1kfq s VAL 300 CO 0.31 0.32 0.34 -2.65 0.00 0.00 0.00 175.10 173.42 1kfq n PRO 301 N 4.51 0.34 0.07 2.72 -0.02 -1.26 -4.89 135.00 136.46 1kfq n PRO 301 Ca -0.15 0.14 -0.11 0.00 -2.02 0.00 0.00 63.50 61.36 1kfq n PRO 301 Cb 0.52 -1.56 -0.13 0.00 -0.02 0.00 0.00 33.50 32.31 1kfq n PRO 301 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1kfq h GLN 302 N -0.00 0.11 -3.85 -0.52 1.08 -1.88 -3.31 115.11 106.74 1kfq h GLN 302 Ca -0.45 -0.19 -0.27 0.00 -1.45 0.00 0.00 58.65 56.29 1kfq h GLN 302 Cb 1.39 0.07 -0.29 0.00 -0.05 0.00 0.00 27.48 28.60 1kfq h GLN 302 CO 0.44 1.03 -0.73 0.12 -0.95 0.00 0.00 178.83 178.74 1kfq s PHE 303 N -2.67 0.15 -0.07 2.96 5.36 -0.90 -2.44 117.98 120.36 1kfq s PHE 303 Ca -0.02 -0.01 -0.07 0.00 -0.96 0.00 0.00 56.93 55.87 1kfq s PHE 303 Cb 0.09 -0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.64 1kfq s PHE 303 CO 0.84 -0.03 0.20 0.20 -1.46 0.00 0.00 175.22 174.98 1kfq s GLY 304 N 0.19 -0.15 0.08 13.12 0.00 -0.26 -0.95 107.32 119.34 1kfq s GLY 304 Ca -0.02 0.56 -0.07 0.00 0.00 0.00 0.00 44.72 45.19 1kfq s GLY 304 CO -0.01 0.48 0.15 0.00 0.00 0.00 0.00 173.10 173.72 1kfq s ALA 305 N 0.07 -0.09 -0.01 3.20 0.00 -0.19 0.35 121.76 125.09 1kfq s ALA 305 Ca -0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 1kfq s ALA 305 Cb -0.02 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1kfq s ALA 305 CO 0.00 -0.48 0.26 0.00 0.00 0.00 0.00 175.76 175.54 1kfq s ALA 306 N -3.86 -0.65 0.28 0.00 0.00 -0.95 -0.43 121.76 116.15 1kfq s ALA 306 Ca 0.05 0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.28 1kfq s ALA 306 Cb 0.05 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 1kfq s ALA 306 CO -0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 175.76 175.39 1kfq n ASP 308 N -0.57 0.00 -0.22 0.00 3.85 -1.07 -4.40 116.55 114.14 1kfq n ASP 308 Ca -0.05 -0.84 -0.00 0.00 -0.71 0.00 0.00 54.79 53.19 1kfq n ASP 308 Cb 0.64 0.00 0.11 0.00 -1.35 0.00 0.00 41.12 40.52 1kfq n ASP 308 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1kfq h GLY 309 N 0.00 0.94 -3.33 6.12 0.00 -1.23 -2.69 103.07 102.87 1kfq h GLY 309 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 1kfq h GLY 309 CO 0.00 0.06 0.10 2.09 0.00 0.00 0.00 176.54 178.79 1kfq n ASP 310 N -4.89 5.14 -3.41 0.19 3.85 -1.25 -1.16 116.55 115.02 1kfq n ASP 310 Ca 0.09 -3.07 -0.25 0.00 -0.71 0.00 0.00 54.79 50.85 1kfq n ASP 310 Cb 0.24 -0.69 0.04 0.00 -1.35 0.00 0.00 41.12 39.35 1kfq n ASP 310 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kfq n ALA 311 N 0.16 -1.14 -0.06 2.12 0.00 -1.02 -2.53 120.51 118.04 1kfq n ALA 311 Ca 0.32 0.28 -0.05 0.00 0.00 0.00 0.00 53.44 53.99 1kfq n ALA 311 Cb 1.23 -4.35 -0.02 0.00 0.00 0.00 0.00 19.45 16.31 1kfq n ALA 311 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1kfq n ASP 312 N -2.70 1.58 -4.89 0.00 4.64 -1.26 -1.58 116.55 112.34 1kfq n ASP 312 Ca -0.03 0.53 -0.29 0.00 -1.38 0.00 0.00 54.79 53.61 1kfq n ASP 312 Cb 0.57 -0.80 0.02 0.00 -1.04 0.00 0.00 41.12 39.87 1kfq n ASP 312 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1kfq s ARG 313 N -2.19 3.30 -0.05 -0.67 0.52 -1.26 -1.65 118.95 116.95 1kfq s ARG 313 Ca -0.15 0.42 -0.12 0.00 -0.52 0.00 0.00 55.73 55.36 1kfq s ARG 313 Cb 0.02 -2.17 0.02 0.00 0.52 0.00 0.00 34.95 33.34 1kfq s ARG 313 CO 0.22 -0.61 0.29 0.54 0.02 0.00 0.00 175.30 175.76 1kfq s ASN 314 N -4.22 -0.21 -0.06 0.23 2.20 -0.02 -2.61 114.94 110.25 1kfq s ASN 314 Ca 0.54 0.26 0.04 0.00 -0.94 0.00 0.00 52.86 52.76 1kfq s ASN 314 Cb -0.11 0.42 -0.00 0.00 -2.00 0.00 0.00 41.25 39.56 1kfq s ASN 314 CO 0.50 -0.31 -0.19 -0.32 -2.94 0.00 0.00 177.10 173.84 1kfq s MET 315 N -0.76 2.13 -0.18 3.55 1.75 0.69 -4.58 119.30 121.90 1kfq s MET 315 Ca -0.08 -0.70 -0.03 0.00 -1.25 0.00 0.00 55.69 53.63 1kfq s MET 315 Cb -0.04 -1.79 -0.01 0.00 2.84 0.00 0.00 34.83 35.83 1kfq s MET 315 CO 0.02 0.24 -0.07 0.42 -0.65 0.00 0.00 175.02 174.98 1kfq s ILE 316 N 0.10 3.31 0.04 10.11 -1.09 -1.26 -2.24 121.20 130.17 1kfq s ILE 316 Ca -0.07 -0.54 0.07 0.00 -2.23 0.00 0.00 60.65 57.88 1kfq s ILE 316 Cb -0.13 -2.46 -0.02 0.00 -1.58 0.00 0.00 42.46 38.26 1kfq s ILE 316 CO 0.04 0.47 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.25 1kfq s LEU 317 N 0.97 2.16 0.54 2.97 1.43 0.15 -2.53 118.68 124.38 1kfq s LEU 317 Ca -0.01 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1kfq s LEU 317 Cb -0.15 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 45.14 1kfq s LEU 317 CO -0.00 0.15 0.15 -0.83 0.23 0.00 0.00 176.35 176.05 1kfq s GLY 318 N -1.15 2.86 -0.08 -3.19 0.00 -0.11 -1.11 107.32 104.54 1kfq s GLY 318 Ca 0.07 -0.44 -0.29 0.00 0.00 0.00 0.00 44.72 44.06 1kfq s GLY 318 CO 0.02 -2.13 1.98 -1.60 0.00 0.00 0.00 173.10 171.37 1kfq s ARG 319 N -4.05 3.79 -1.66 2.90 3.52 -1.02 -2.02 118.95 120.41 1kfq s ARG 319 Ca 0.12 2.30 -0.15 0.00 -0.13 0.00 0.00 55.73 57.87 1kfq s ARG 319 Cb -0.01 -4.20 0.13 0.00 -1.56 0.00 0.00 34.95 29.31 1kfq s ARG 319 CO 0.07 -1.34 0.66 1.04 -0.81 0.00 0.00 175.30 174.93 1kfq n GLN 320 N 7.90 -2.87 -3.76 5.12 6.02 0.20 -4.92 117.38 125.08 1kfq n GLN 320 Ca 0.23 0.34 -0.13 0.00 -0.01 0.00 0.00 57.00 57.43 1kfq n GLN 320 Cb 0.43 -4.88 -0.11 0.00 1.02 0.00 0.00 30.24 26.70 1kfq n GLN 320 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1kfq s PHE 321 N -3.47 -0.37 -0.13 1.08 5.36 -0.86 -4.78 117.98 114.81 1kfq s PHE 321 Ca 0.58 0.89 0.02 0.00 -0.96 0.00 0.00 56.93 57.46 1kfq s PHE 321 Cb -0.32 0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.49 1kfq s PHE 321 CO 0.93 -0.19 -0.20 0.12 -1.46 0.00 0.00 175.22 174.43 1kfq s PHE 322 N 0.12 2.69 -0.37 10.12 5.36 -1.26 -0.94 117.98 133.70 1kfq s PHE 322 Ca -0.01 -1.12 -0.13 0.00 -0.96 0.00 0.00 56.93 54.71 1kfq s PHE 322 Cb -0.02 -1.81 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 1kfq s PHE 322 CO 0.01 -0.49 0.25 0.08 -1.46 0.00 0.00 175.22 173.61 1kfq s VAL 323 N 0.65 5.17 0.67 3.12 1.01 -1.05 -4.98 120.40 125.00 1kfq s VAL 323 Ca -0.10 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1kfq s VAL 323 Cb -0.16 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1kfq s VAL 323 CO 0.02 -0.14 1.14 0.42 0.00 0.00 0.00 175.10 176.55 1kfq s THR 324 N 1.68 2.92 0.45 3.92 -4.23 -1.26 -4.39 115.64 114.73 1kfq s THR 324 Ca 0.05 0.45 0.12 0.00 -1.18 0.00 0.00 61.69 61.13 1kfq s THR 324 Cb -0.18 -2.99 0.23 0.00 1.34 0.00 0.00 72.50 70.90 1kfq s THR 324 CO 0.10 -0.25 2.06 -0.65 -0.54 0.00 0.00 174.62 175.34 1kfq h PRO 325 N 0.02 0.18 -0.10 3.99 0.11 -1.90 0.45 132.00 134.75 1kfq h PRO 325 Ca -0.47 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.41 1kfq h PRO 325 Cb 1.26 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.35 1kfq h PRO 325 CO 0.53 0.19 -0.72 0.77 -0.21 0.00 0.00 178.00 178.56 1kfq h SER 326 N 0.18 0.82 0.66 -2.05 0.02 -1.85 -2.49 113.55 108.84 1kfq h SER 326 Ca 0.05 -0.66 -0.14 0.00 -0.84 0.00 0.00 61.79 60.19 1kfq h SER 326 Cb 0.11 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1kfq h SER 326 CO 0.00 1.35 -0.68 0.44 -1.14 0.00 0.00 176.83 176.80 1kfq h ASP 327 N 0.35 0.01 -0.78 3.07 3.45 -1.88 -3.06 116.42 117.58 1kfq h ASP 327 Ca -0.06 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.39 1kfq h ASP 327 Cb 1.37 -0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 40.10 1kfq h ASP 327 CO 0.15 0.68 0.46 -1.28 -1.57 0.00 0.00 179.24 177.68 1kfq h SER 328 N 0.01 0.94 -0.54 6.45 0.87 -0.87 0.14 113.55 120.54 1kfq h SER 328 Ca -0.01 -0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1kfq h SER 328 Cb 1.20 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 1kfq h SER 328 CO 0.09 0.73 0.35 0.25 -0.53 0.00 0.00 176.83 177.72 1kfq h LEU 329 N 1.07 0.59 -0.59 2.23 6.46 -1.35 -2.49 115.31 121.23 1kfq h LEU 329 Ca 0.28 -0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.88 1kfq h LEU 329 Cb -0.03 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 1kfq h LEU 329 CO -0.05 0.42 -0.45 0.00 -0.62 0.00 0.00 178.44 177.74 1kfq h ALA 330 N 1.21 0.77 -0.26 1.25 0.00 -1.29 -1.12 119.26 119.81 1kfq h ALA 330 Ca 0.20 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1kfq h ALA 330 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1kfq h ALA 330 CO -0.06 0.66 -0.36 0.28 0.00 0.00 0.00 179.25 179.77 1kfq h VAL 331 N 0.49 1.29 -0.23 0.00 2.07 -0.65 0.20 116.25 119.43 1kfq h VAL 331 Ca 0.03 -1.50 -0.19 0.00 0.82 0.00 0.00 66.70 65.87 1kfq h VAL 331 Cb 0.97 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1kfq h VAL 331 CO 0.09 0.48 -0.58 0.40 0.02 0.00 0.00 177.57 177.97 1kfq h ILE 332 N 0.49 1.29 -0.70 4.57 2.04 -1.42 -1.70 117.51 122.09 1kfq h ILE 332 Ca 0.05 -1.78 -0.06 0.00 1.00 0.00 0.00 64.86 64.07 1kfq h ILE 332 Cb 0.85 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 1kfq h ILE 332 CO 0.07 0.57 0.21 0.00 0.00 0.00 0.00 178.15 179.01 1kfq h ALA 333 N 0.62 0.91 0.00 1.87 0.00 -0.95 0.69 119.26 122.39 1kfq h ALA 333 Ca -0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1kfq h ALA 333 Cb 1.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1kfq h ALA 333 CO 0.13 0.60 -0.26 0.00 0.00 0.00 0.00 179.25 179.71 1kfq h ALA 334 N 1.10 1.17 -0.38 0.00 0.00 -0.53 -2.70 119.26 117.92 1kfq h ALA 334 Ca 0.22 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1kfq h ALA 334 Cb 0.31 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 1kfq h ALA 334 CO -0.01 0.32 -0.00 0.09 0.00 0.00 0.00 179.25 179.66 1kfq n ASN 335 N -3.65 2.90 0.29 0.00 4.13 -0.65 -4.70 115.26 113.58 1kfq n ASN 335 Ca -0.01 -3.59 0.18 0.00 1.68 0.00 0.00 54.58 52.85 1kfq n ASN 335 Cb 0.38 -0.63 0.99 0.00 -1.54 0.00 0.00 39.78 38.98 1kfq n ASN 335 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1kfq h ALA 336 N 1.19 1.39 0.00 5.41 0.00 -0.53 -0.91 119.26 125.81 1kfq h ALA 336 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1kfq h ALA 336 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1kfq h ALA 336 CO 0.41 -0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.63 1kfq n ASN 337 N -3.44 0.03 0.02 0.00 5.03 -1.26 -1.75 115.26 113.87 1kfq n ASN 337 Ca -0.02 0.50 0.11 0.00 0.87 0.00 0.00 54.58 56.05 1kfq n ASN 337 Cb 0.18 -0.51 0.01 0.00 -1.02 0.00 0.00 39.78 38.44 1kfq n ASN 337 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1kfq n LEU 338 N -1.53 0.64 -0.07 3.41 4.77 -0.35 -4.61 117.00 119.27 1kfq n LEU 338 Ca 0.06 -0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 55.78 1kfq n LEU 338 Cb 0.31 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1kfq n LEU 338 CO 0.25 0.10 -0.99 -0.38 -1.33 0.00 0.00 177.39 175.04 1kfq n ILE 339 N -1.82 0.78 -3.46 -0.08 5.41 -1.13 -4.89 119.36 114.18 1kfq n ILE 339 Ca 0.02 -0.21 -0.37 0.00 1.00 0.00 0.00 62.75 63.19 1kfq n ILE 339 Cb 0.41 -1.62 -0.06 0.00 -0.71 0.00 0.00 39.64 37.65 1kfq n ILE 339 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1kfq s PHE 340 N -2.26 3.52 0.12 1.39 0.40 -0.72 -4.90 117.98 115.52 1kfq s PHE 340 Ca -0.20 0.75 -0.25 0.00 -0.60 0.00 0.00 56.93 56.63 1kfq s PHE 340 Cb 0.07 -2.40 -0.06 0.00 0.51 0.00 0.00 43.02 41.13 1kfq s PHE 340 CO 0.26 0.27 1.43 0.87 0.70 0.00 0.00 175.22 178.75 1kfq h LYS 341 N 6.41 -0.08 -2.23 0.44 1.57 -1.91 -2.92 116.57 117.85 1kfq h LYS 341 Ca -0.43 0.01 -0.66 0.00 -1.87 0.00 0.00 60.65 57.70 1kfq h LYS 341 Cb 1.18 0.02 -0.37 0.00 0.08 0.00 0.00 32.23 33.14 1kfq h LYS 341 CO 0.73 -0.06 -0.10 0.09 -0.57 0.00 0.00 179.45 179.55 1kfq n ASN 342 N -4.81 5.45 -0.83 0.86 4.13 -1.26 -5.08 115.26 113.72 1kfq n ASN 342 Ca 0.00 -3.70 0.01 0.00 1.68 0.00 0.00 54.58 52.58 1kfq n ASN 342 Cb 0.23 -0.75 -0.00 0.00 -1.54 0.00 0.00 39.78 37.71 1kfq n ASN 342 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kfq n GLY 343 N -0.21 -0.80 3.73 7.41 0.00 -1.10 -4.74 105.19 109.47 1kfq n GLY 343 Ca 0.37 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 1kfq n GLY 343 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kfq s LEU 344 N 0.00 4.39 0.02 0.99 2.96 -1.26 -4.83 118.68 120.95 1kfq s LEU 344 Ca 0.00 1.44 -0.02 0.00 -0.22 0.00 0.00 54.13 55.34 1kfq s LEU 344 Cb 0.00 -3.29 -0.27 0.00 0.50 0.00 0.00 46.19 43.13 1kfq s LEU 344 CO 0.00 -0.09 0.91 0.25 -1.32 0.00 0.00 176.35 176.10 1kfq h LEU 345 N 6.25 0.34 0.00 -0.68 5.85 -1.87 -3.48 115.31 121.71 1kfq h LEU 345 Ca -0.42 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 57.84 1kfq h LEU 345 Cb 1.21 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1kfq h LEU 345 CO 0.73 1.38 0.00 0.61 -0.34 0.00 0.00 178.44 180.82 1kfq n GLY 346 N 1.62 0.88 3.15 3.75 0.00 -1.21 -4.57 105.19 108.80 1kfq n GLY 346 Ca -0.14 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 1kfq n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfq s ALA 347 N -2.00 -0.34 0.07 4.61 0.00 -0.66 -2.15 121.76 121.28 1kfq s ALA 347 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1kfq s ALA 347 Cb 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1kfq s ALA 347 CO 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 175.76 175.39 1kfq s ALA 348 N -2.08 0.75 0.05 0.00 0.00 -0.58 -1.66 121.76 118.24 1kfq s ALA 348 Ca -0.09 -1.04 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 1kfq s ALA 348 Cb -0.04 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1kfq s ALA 348 CO -0.01 -0.13 0.20 -0.98 0.00 0.00 0.00 175.76 174.84 1kfq s ARG 349 N -2.66 0.73 0.54 0.00 1.70 -0.97 -2.07 118.95 116.22 1kfq s ARG 349 Ca 0.00 -0.68 -0.18 0.00 -0.47 0.00 0.00 55.73 54.40 1kfq s ARG 349 Cb -0.03 0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 34.60 1kfq s ARG 349 CO -0.02 -0.22 1.06 -1.54 -1.08 0.00 0.00 175.30 173.50 1kfq s SER 350 N -2.23 5.99 0.26 -2.89 1.04 -1.23 -1.65 113.70 113.00 1kfq s SER 350 Ca -0.03 1.93 -0.01 0.00 0.48 0.00 0.00 55.95 58.32 1kfq s SER 350 Cb 0.00 -2.55 0.55 0.00 0.10 0.00 0.00 66.02 64.11 1kfq s SER 350 CO -0.05 -1.02 1.74 -0.03 0.98 0.00 0.00 173.24 174.85 1kfq h MET 351 N 1.04 0.50 0.00 4.02 4.05 -0.34 -0.87 114.93 123.32 1kfq h MET 351 Ca -0.49 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1kfq h MET 351 Cb 1.23 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 1kfq h MET 351 CO 0.58 0.33 0.00 -0.35 0.23 0.00 0.00 176.91 177.70 1kfq n PRO 352 N -4.95 0.42 -2.47 0.39 -0.04 -1.26 -4.82 135.00 122.26 1kfq n PRO 352 Ca 0.17 0.05 -0.34 0.00 -0.04 0.00 0.00 63.50 63.34 1kfq n PRO 352 Cb 0.47 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1kfq n PRO 352 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1kfq s THR 353 N -2.48 3.76 0.89 0.52 2.01 -0.33 -4.87 115.64 115.14 1kfq s THR 353 Ca 0.26 1.07 -0.13 0.00 0.31 0.00 0.00 61.69 63.19 1kfq s THR 353 Cb 0.17 -3.44 0.06 0.00 0.01 0.00 0.00 72.50 69.30 1kfq s THR 353 CO 0.36 -0.27 0.73 -0.24 -0.69 0.00 0.00 174.62 174.51 1kfq n SER 354 N -1.11 -0.88 -2.15 3.53 2.88 -1.26 -4.87 113.62 109.76 1kfq n SER 354 Ca 0.09 0.43 -0.25 0.00 -1.33 0.00 0.00 58.87 57.81 1kfq n SER 354 Cb 0.52 -1.32 0.13 0.00 -0.75 0.00 0.00 64.21 62.79 1kfq n SER 354 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kfq n GLY 355 N 1.08 4.71 0.28 0.46 0.00 -1.26 -4.41 105.19 106.05 1kfq n GLY 355 Ca 0.10 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 1kfq n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfq h ALA 356 N 1.41 0.72 -0.98 4.61 0.00 -1.89 -2.74 119.26 120.38 1kfq h ALA 356 Ca 0.56 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 55.23 1kfq h ALA 356 Cb 1.97 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 1kfq h ALA 356 CO 1.15 0.60 0.63 1.25 0.00 0.00 0.00 179.25 182.88 1kfq h LEU 357 N 0.85 0.93 -1.15 0.00 5.85 -1.80 -2.21 115.31 117.78 1kfq h LEU 357 Ca 0.14 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1kfq h LEU 357 Cb 0.64 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1kfq h LEU 357 CO 0.04 0.54 0.58 0.44 -0.34 0.00 0.00 178.44 179.70 1kfq h ASP 358 N 1.03 0.91 -0.64 1.25 3.45 -1.81 -1.00 116.42 119.59 1kfq h ASP 358 Ca 0.46 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.85 1kfq h ASP 358 Cb 0.37 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.92 1kfq h ASP 358 CO -0.22 0.60 0.15 0.11 -1.57 0.00 0.00 179.24 178.31 1kfq h LYS 359 N 1.04 1.06 -0.33 3.56 1.79 -1.43 1.00 116.57 123.26 1kfq h LYS 359 Ca 0.37 -0.25 -0.09 0.00 -2.18 0.00 0.00 60.65 58.50 1kfq h LYS 359 Cb 0.14 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1kfq h LYS 359 CO -0.13 0.95 -0.14 0.28 -1.08 0.00 0.00 179.45 179.32 1kfq h VAL 360 N 1.00 1.29 -0.10 0.50 2.07 -1.30 -2.89 116.25 116.82 1kfq h VAL 360 Ca 0.21 -1.24 -0.13 0.00 0.82 0.00 0.00 66.70 66.35 1kfq h VAL 360 Cb 0.38 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1kfq h VAL 360 CO 0.00 0.40 -0.53 0.00 0.02 0.00 0.00 177.57 177.47 1kfq h ALA 361 N 0.78 0.92 -0.45 1.67 0.00 -0.95 -1.91 119.26 119.31 1kfq h ALA 361 Ca 0.08 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1kfq h ALA 361 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1kfq h ALA 361 CO 0.05 0.68 0.10 0.00 0.00 0.00 0.00 179.25 180.08 1kfq h ALA 362 N 1.23 0.60 -0.26 0.00 0.00 -0.79 -0.90 119.26 119.15 1kfq h ALA 362 Ca 0.01 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1kfq h ALA 362 Cb 1.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1kfq h ALA 362 CO 0.08 0.29 -0.59 -0.22 0.00 0.00 0.00 179.25 178.82 1kfq h LYS 363 N 0.61 0.84 -0.65 0.00 3.64 -1.44 -3.28 116.57 116.28 1kfq h LYS 363 Ca 0.14 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1kfq h LYS 363 Cb 0.34 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1kfq h LYS 363 CO 0.00 1.19 0.00 0.09 -2.27 0.00 0.00 179.45 178.46 1kfq n ASN 364 N -3.99 4.20 -3.84 4.20 5.03 -0.73 -4.95 115.26 115.18 1kfq n ASN 364 Ca -0.05 -2.34 -0.27 0.00 0.87 0.00 0.00 54.58 52.79 1kfq n ASN 364 Cb 0.65 -0.53 0.03 0.00 -1.02 0.00 0.00 39.78 38.91 1kfq n ASN 364 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kfq n GLY 365 N 1.14 -0.43 3.68 7.41 0.00 -0.55 -4.95 105.19 111.50 1kfq n GLY 365 Ca 0.23 0.18 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 1kfq n GLY 365 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kfq s ILE 366 N -3.42 5.18 -0.10 -0.61 -1.09 -0.45 -5.01 121.20 115.70 1kfq s ILE 366 Ca 0.46 0.80 -0.32 0.00 -2.23 0.00 0.00 60.65 59.36 1kfq s ILE 366 Cb -0.23 -3.77 -0.10 0.00 -1.58 0.00 0.00 42.46 36.78 1kfq s ILE 366 CO 0.82 0.26 1.98 1.17 -1.23 0.00 0.00 174.94 177.95 1kfq n LYS 367 N 4.29 2.21 -4.60 2.79 3.00 -1.26 -4.72 118.16 119.87 1kfq n LYS 367 Ca -0.08 0.77 -0.34 0.00 -0.00 0.00 0.00 58.31 58.67 1kfq n LYS 367 Cb 0.51 -2.80 -0.11 0.00 0.00 0.00 0.00 35.03 32.63 1kfq n LYS 367 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1kfq s LEU 368 N 5.07 3.21 -0.02 3.14 2.96 -1.26 -1.65 118.68 130.13 1kfq s LEU 368 Ca 0.95 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.88 1kfq s LEU 368 Cb -0.60 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.38 1kfq s LEU 368 CO 0.47 0.36 -0.12 -0.36 -1.32 0.00 0.00 176.35 175.38 1kfq s PHE 369 N -0.83 1.19 -0.28 5.38 0.08 -0.67 -4.99 117.98 117.87 1kfq s PHE 369 Ca 0.13 -0.29 0.03 0.00 0.12 0.00 0.00 56.93 56.92 1kfq s PHE 369 Cb -0.11 -0.81 0.07 0.00 -0.57 0.00 0.00 43.02 41.60 1kfq s PHE 369 CO 0.02 -0.09 -0.07 -2.00 -0.10 0.00 0.00 175.22 172.98 1kfq s GLU 370 N 0.00 2.02 0.52 0.44 2.12 -1.26 -2.29 118.70 120.26 1kfq s GLU 370 Ca -0.01 -1.47 0.05 0.00 0.36 0.00 0.00 54.97 53.90 1kfq s GLU 370 Cb -0.08 -2.96 0.02 0.00 0.26 0.00 0.00 34.13 31.37 1kfq s GLU 370 CO 0.01 -0.66 0.32 0.95 -0.54 0.00 0.00 175.26 175.33 1kfq s THR 371 N 1.06 1.69 0.81 -1.70 -4.23 -0.66 -4.80 115.64 107.81 1kfq s THR 371 Ca -0.04 -1.59 -0.12 0.00 -1.18 0.00 0.00 61.69 58.77 1kfq s THR 371 Cb -0.20 -2.27 0.08 0.00 1.34 0.00 0.00 72.50 71.45 1kfq s THR 371 CO -0.06 0.00 1.12 -2.84 -0.54 0.00 0.00 174.62 172.31 1kfq s PRO 372 N -4.17 2.00 0.53 3.99 0.02 -1.26 0.39 135.00 136.49 1kfq s PRO 372 Ca 0.31 0.40 0.27 0.00 0.02 0.00 0.00 61.00 62.00 1kfq s PRO 372 Cb -0.01 -1.93 1.41 0.00 0.02 0.00 0.00 34.50 34.00 1kfq s PRO 372 CO 0.19 -1.63 1.96 1.15 -0.33 0.00 0.00 177.00 178.33 1kfq h THR 373 N -1.09 0.67 -2.97 0.99 2.02 -1.95 -3.44 112.91 107.15 1kfq h THR 373 Ca -0.47 -0.01 -0.48 0.00 0.77 0.00 0.00 66.41 66.22 1kfq h THR 373 Cb 1.29 0.66 0.22 0.00 -1.74 0.00 0.00 68.15 68.58 1kfq h THR 373 CO 0.62 0.00 -0.66 0.61 0.37 0.00 0.00 175.52 176.47 1kfq n GLY 374 N -1.66 -2.10 0.00 2.16 0.00 -1.26 -4.94 105.19 97.39 1kfq n GLY 374 Ca 0.13 -0.82 0.09 0.00 0.00 0.00 0.00 46.02 45.42 1kfq n GLY 374 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1kfq n TRP 375 N -4.21 0.00 0.30 1.61 -0.00 -1.26 -4.24 117.44 109.63 1kfq n TRP 375 Ca 0.04 0.00 0.16 0.00 -0.00 0.00 0.00 57.50 57.70 1kfq n TRP 375 Cb 0.57 -0.24 0.76 0.00 -0.00 0.00 0.00 31.31 32.40 1kfq n TRP 375 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 1kfq h LYS 376 N 0.00 0.00 -0.01 5.87 1.57 -1.95 -2.42 116.57 119.63 1kfq h LYS 376 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1kfq h LYS 376 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1kfq h LYS 376 CO 0.00 0.00 -0.73 0.74 -0.57 0.00 0.00 179.45 178.89 1kfq h PHE 377 N 0.00 0.07 -0.06 -1.35 0.04 -1.91 -2.83 116.94 110.90 1kfq h PHE 377 Ca 0.00 -0.03 -0.21 0.00 2.80 0.00 0.00 57.97 60.53 1kfq h PHE 377 Cb 0.25 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1kfq h PHE 377 CO 0.00 0.76 -0.82 0.74 -0.60 0.00 0.00 178.31 178.39 1kfq h PHE 378 N 0.03 0.65 -0.54 -0.55 0.05 -1.70 -3.23 116.94 111.65 1kfq h PHE 378 Ca -0.01 -0.31 0.04 0.00 3.82 0.00 0.00 57.97 61.50 1kfq h PHE 378 Cb 1.29 -0.09 -0.04 0.00 2.00 0.00 0.00 35.95 39.11 1kfq h PHE 378 CO 0.01 1.11 0.30 0.78 -0.18 0.00 0.00 178.31 180.32 1kfq h GLY 379 N 1.15 0.77 0.90 -1.45 0.00 -1.44 -1.11 103.07 101.88 1kfq h GLY 379 Ca -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1kfq h GLY 379 CO 0.15 0.16 0.08 3.43 0.00 0.00 0.00 176.54 180.36 1kfq h ASN 380 N 0.58 0.28 0.17 0.19 2.35 -1.56 -1.22 115.58 116.38 1kfq h ASN 380 Ca 0.23 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1kfq h ASN 380 Cb 0.09 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 1kfq h ASN 380 CO -0.14 0.36 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.81 1kfq h LEU 381 N 0.18 0.00 -0.01 1.61 3.38 -1.52 -2.34 115.31 116.61 1kfq h LEU 381 Ca 0.07 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 1kfq h LEU 381 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1kfq h LEU 381 CO -0.01 0.12 -1.11 0.24 0.09 0.00 0.00 178.44 177.78 1kfq h MET 382 N 0.00 0.46 -0.24 1.13 2.86 -0.78 0.70 114.93 119.06 1kfq h MET 382 Ca -0.00 -0.59 -0.07 0.00 -2.06 0.00 0.00 59.70 56.99 1kfq h MET 382 Cb 0.24 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1kfq h MET 382 CO 0.02 1.23 -0.14 -0.44 1.06 0.00 0.00 176.91 178.63 1kfq h ASP 383 N 0.22 0.40 -0.28 1.22 3.45 -0.72 -1.89 116.42 118.82 1kfq h ASP 383 Ca -0.13 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.23 1kfq h ASP 383 Cb 1.77 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 40.44 1kfq h ASP 383 CO 0.20 0.57 0.00 0.00 -1.57 0.00 0.00 179.24 178.44 1kfq n ALA 384 N -2.48 2.47 -3.69 3.45 0.00 -0.95 -4.93 120.51 114.37 1kfq n ALA 384 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 53.44 52.67 1kfq n ALA 384 Cb 0.32 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.81 1kfq n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfq n GLY 385 N 1.03 -0.38 0.02 0.00 0.00 -0.71 -4.91 105.19 100.24 1kfq n GLY 385 Ca 0.12 0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.35 1kfq n GLY 385 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kfq n LEU 386 N -4.43 0.00 -3.94 0.99 4.77 0.23 -4.99 117.00 109.63 1kfq n LEU 386 Ca -0.18 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.71 1kfq n LEU 386 Cb 0.63 0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.72 1kfq n LEU 386 CO 0.68 0.09 -0.20 0.27 -1.33 0.00 0.00 177.39 176.90 1kfq s ILE 387 N -3.14 0.16 0.00 -0.08 -4.36 -1.21 -3.36 121.20 109.21 1kfq s ILE 387 Ca -0.07 -1.30 0.14 0.00 -0.26 0.00 0.00 60.65 59.15 1kfq s ILE 387 Cb 0.11 -1.23 0.23 0.00 1.25 0.00 0.00 42.46 42.82 1kfq s ILE 387 CO 0.77 -0.72 1.06 -0.46 0.24 0.00 0.00 174.94 175.83 1kfq n ASN 388 N 0.27 0.30 -3.63 4.36 6.94 -0.92 -4.59 115.26 118.00 1kfq n ASN 388 Ca -0.16 -1.93 -0.05 0.00 -0.02 0.00 0.00 54.58 52.42 1kfq n ASN 388 Cb 0.61 -0.12 -0.07 0.00 -2.36 0.00 0.00 39.78 37.84 1kfq n ASN 388 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1kfq s LEU 389 N 0.00 -0.78 0.19 -4.53 2.96 -1.22 -4.17 118.68 111.13 1kfq s LEU 389 Ca 0.18 1.23 -0.17 0.00 -0.22 0.00 0.00 54.13 55.15 1kfq s LEU 389 Cb 0.21 2.11 0.03 0.00 0.50 0.00 0.00 46.19 49.04 1kfq s LEU 389 CO -0.09 -0.19 0.51 0.00 -1.32 0.00 0.00 176.35 175.25 1kfq s GLY 391 N -2.87 -0.18 0.28 0.00 0.00 -0.88 -1.24 107.32 102.43 1kfq s GLY 391 Ca 0.09 2.02 0.11 0.00 0.00 0.00 0.00 44.72 46.94 1kfq s GLY 391 CO -0.03 0.77 -0.17 -0.54 0.00 0.00 0.00 173.10 173.14 1kfq s GLU 392 N -1.82 1.64 0.37 2.90 2.02 0.10 -3.55 118.70 120.37 1kfq s GLU 392 Ca 0.08 -1.77 0.27 0.00 0.02 0.00 0.00 54.97 53.57 1kfq s GLU 392 Cb -0.01 -1.62 1.26 0.00 0.10 0.00 0.00 34.13 33.86 1kfq s GLU 392 CO -0.05 0.26 1.81 1.49 0.02 0.00 0.00 175.26 178.80 1kfq h GLU 393 N 2.27 0.00 -1.91 1.61 4.22 -1.89 -3.21 114.58 115.67 1kfq h GLU 393 Ca -0.40 0.00 -0.40 0.00 0.08 0.00 0.00 59.36 58.64 1kfq h GLU 393 Cb 1.25 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.36 1kfq h GLU 393 CO 0.62 0.00 0.24 -1.13 -2.18 0.00 0.00 179.01 176.56 1kfq n SER 394 N -2.48 6.21 -3.91 1.04 3.41 -1.26 -4.70 113.62 111.92 1kfq n SER 394 Ca 0.00 -3.02 -0.30 0.00 -0.26 0.00 0.00 58.87 55.30 1kfq n SER 394 Cb 0.17 -1.23 0.02 0.00 -0.26 0.00 0.00 64.21 62.91 1kfq n SER 394 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1kfq n PHE 395 N 1.10 -2.21 -4.41 7.33 3.72 -1.22 -4.90 117.46 116.86 1kfq n PHE 395 Ca 0.43 0.89 -0.25 0.00 -0.05 0.00 0.00 57.45 58.47 1kfq n PHE 395 Cb 0.62 -3.95 -0.17 0.00 -0.94 0.00 0.00 39.48 35.04 1kfq n PHE 395 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1kfq s GLY 396 N -3.45 0.80 -0.01 1.37 0.00 -1.21 -0.84 107.32 103.97 1kfq s GLY 396 Ca 0.58 -0.44 -0.01 0.00 0.00 0.00 0.00 44.72 44.85 1kfq s GLY 396 CO 0.84 0.29 0.03 -1.59 0.00 0.00 0.00 173.10 172.66 1kfq s THR 397 N 0.91 0.00 0.36 0.90 2.01 -1.26 0.03 115.64 118.60 1kfq s THR 397 Ca -0.10 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 61.76 1kfq s THR 397 Cb -0.15 -0.06 0.03 0.00 0.01 0.00 0.00 72.50 72.34 1kfq s THR 397 CO 0.01 -0.02 0.66 -0.83 -0.69 0.00 0.00 174.62 173.75 1kfq s GLY 398 N -0.04 0.77 0.05 4.40 0.00 -0.37 -2.27 107.32 109.86 1kfq s GLY 398 Ca -0.01 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.71 1kfq s GLY 398 CO 0.00 -0.56 0.04 -1.26 0.00 0.00 0.00 173.10 171.31 1kfq n SER 399 N -1.33 0.23 -0.95 1.64 2.88 -1.26 -1.99 113.62 112.84 1kfq n SER 399 Ca -0.05 -1.33 0.08 0.00 -1.33 0.00 0.00 58.87 56.25 1kfq n SER 399 Cb 0.61 0.22 0.23 0.00 -0.75 0.00 0.00 64.21 64.52 1kfq n SER 399 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1kfq n ASN 400 N -2.55 2.75 0.02 -3.46 6.94 -1.26 -4.25 115.26 113.45 1kfq n ASN 400 Ca 0.01 -1.99 0.07 0.00 -0.02 0.00 0.00 54.58 52.64 1kfq n ASN 400 Cb 0.09 -0.34 0.30 0.00 -2.36 0.00 0.00 39.78 37.48 1kfq n ASN 400 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kfq n HIS 401 N 1.01 0.13 -3.13 -2.53 1.44 -1.26 -4.80 115.22 106.08 1kfq n HIS 401 Ca 0.17 0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 1kfq n HIS 401 Cb 0.44 -0.59 0.00 0.00 0.12 0.00 0.00 29.99 29.96 1kfq n HIS 401 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1kfq n ILE 402 N -1.62 0.00 -3.24 0.61 -5.35 -1.26 -4.91 119.36 103.59 1kfq n ILE 402 Ca 0.03 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.26 1kfq n ILE 402 Cb 0.15 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 37.99 1kfq n ILE 402 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1kfq n ARG 403 N 0.00 2.03 -3.60 6.28 5.12 -1.26 -4.93 116.66 120.30 1kfq n ARG 403 Ca 0.00 -4.19 -0.03 0.00 -1.93 0.00 0.00 57.85 51.69 1kfq n ARG 403 Cb 0.00 -1.92 -0.02 0.00 -1.16 0.00 0.00 32.46 29.36 1kfq n ARG 403 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1kfq s GLU 404 N -2.35 0.48 0.63 5.56 0.41 -1.26 -4.23 118.70 117.94 1kfq s GLU 404 Ca 0.41 -0.22 -0.13 0.00 -0.41 0.00 0.00 54.97 54.62 1kfq s GLU 404 Cb 0.21 0.20 -0.02 0.00 -1.78 0.00 0.00 34.13 32.73 1kfq s GLU 404 CO -0.07 -0.21 1.04 0.15 -0.49 0.00 0.00 175.26 175.68 1kfq s LYS 405 N -2.59 3.30 -0.26 1.61 1.02 -1.26 -4.68 119.74 116.88 1kfq s LYS 405 Ca 0.10 0.95 -0.03 0.00 0.02 0.00 0.00 55.97 57.02 1kfq s LYS 405 Cb 0.01 -2.04 0.09 0.00 -0.52 0.00 0.00 37.83 35.36 1kfq s LYS 405 CO -0.04 -0.81 0.10 0.34 -0.92 0.00 0.00 175.35 174.01 1kfq s ASP 406 N -3.60 3.36 0.08 2.83 -1.08 -0.96 -4.59 116.67 112.70 1kfq s ASP 406 Ca 0.58 -1.18 -0.31 0.00 -0.52 0.00 0.00 52.55 51.12 1kfq s ASP 406 Cb -0.13 -0.52 -0.18 0.00 -1.46 0.00 0.00 42.92 40.63 1kfq s ASP 406 CO 0.48 -0.39 1.64 1.23 0.52 0.00 0.00 175.17 178.65 1kfq h GLY 407 N 8.29 -0.80 1.33 2.66 0.00 -0.34 -1.86 103.07 112.35 1kfq h GLY 407 Ca -0.17 0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1kfq h GLY 407 CO 0.40 -0.29 0.25 -2.22 0.00 0.00 0.00 176.54 174.68 1kfq h ILE 408 N -0.77 1.21 -0.39 2.60 1.08 -1.89 -1.75 117.51 117.60 1kfq h ILE 408 Ca -0.07 -0.63 0.03 0.00 -0.39 0.00 0.00 64.86 63.79 1kfq h ILE 408 Cb 0.60 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 1kfq h ILE 408 CO 0.11 0.25 0.20 -0.25 -0.69 0.00 0.00 178.15 177.78 1kfq h TRP 409 N 0.85 0.38 -0.51 1.37 7.01 -1.91 0.80 115.95 123.94 1kfq h TRP 409 Ca 0.21 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.24 1kfq h TRP 409 Cb 0.14 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 1kfq h TRP 409 CO 0.01 0.21 0.31 0.00 -2.79 0.00 0.00 178.44 176.17 1kfq h ALA 410 N 1.19 0.65 -0.38 2.65 0.00 -0.77 -0.16 119.26 122.44 1kfq h ALA 410 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1kfq h ALA 410 Cb 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1kfq h ALA 410 CO -0.10 0.02 0.20 0.28 0.00 0.00 0.00 179.25 179.65 1kfq h VAL 411 N 0.61 1.15 -0.27 0.00 2.07 -0.68 -2.66 116.25 116.48 1kfq h VAL 411 Ca 0.20 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1kfq h VAL 411 Cb 0.01 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1kfq h VAL 411 CO -0.08 0.16 -0.02 -0.07 0.02 0.00 0.00 177.57 177.58 1kfq h LEU 412 N 0.49 0.38 -0.60 2.57 3.38 -0.42 -1.87 115.31 119.23 1kfq h LEU 412 Ca 0.13 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1kfq h LEU 412 Cb 0.07 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1kfq h LEU 412 CO -0.02 0.45 0.29 0.00 0.09 0.00 0.00 178.44 179.25 1kfq h ALA 413 N 1.60 0.77 -0.39 1.53 0.00 -0.71 -0.52 119.26 121.54 1kfq h ALA 413 Ca 0.09 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1kfq h ALA 413 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1kfq h ALA 413 CO 0.01 0.34 -0.13 -1.49 0.00 0.00 0.00 179.25 177.98 1kfq h TRP 414 N 0.82 0.77 -0.49 0.00 4.06 -1.15 -2.28 115.95 117.69 1kfq h TRP 414 Ca 0.21 -0.14 -0.09 0.00 2.06 0.00 0.00 58.89 60.93 1kfq h TRP 414 Cb 0.12 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.07 1kfq h TRP 414 CO 0.00 0.80 -0.05 -0.07 -3.56 0.00 0.00 178.44 175.56 1kfq h LEU 415 N 0.63 0.83 -0.74 -4.49 3.38 -0.95 -1.26 115.31 112.71 1kfq h LEU 415 Ca 0.11 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1kfq h LEU 415 Cb 0.59 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1kfq h LEU 415 CO 0.04 0.92 0.47 0.74 0.09 0.00 0.00 178.44 180.70 1kfq h THR 416 N 0.78 1.13 -0.38 0.22 2.02 -0.62 0.41 112.91 116.47 1kfq h THR 416 Ca 0.14 -0.32 -0.14 0.00 0.77 0.00 0.00 66.41 66.85 1kfq h THR 416 Cb 0.54 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1kfq h THR 416 CO 0.03 0.17 -0.33 0.40 0.37 0.00 0.00 175.52 176.16 1kfq h ILE 417 N 0.94 1.28 -0.20 3.11 2.04 -1.14 -1.89 117.51 121.65 1kfq h ILE 417 Ca 0.29 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 1kfq h ILE 417 Cb -0.03 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1kfq h ILE 417 CO -0.09 0.50 0.07 -0.07 0.00 0.00 0.00 178.15 178.56 1kfq h LEU 418 N 0.70 0.28 -1.12 1.44 3.38 -0.58 -1.41 115.31 118.01 1kfq h LEU 418 Ca 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1kfq h LEU 418 Cb 0.91 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1kfq h LEU 418 CO 0.08 0.39 0.45 0.00 0.09 0.00 0.00 178.44 179.45 1kfq h ALA 419 N 0.90 1.33 -0.22 1.53 0.00 -0.18 -1.96 119.26 120.67 1kfq h ALA 419 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1kfq h ALA 419 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1kfq h ALA 419 CO -0.00 0.56 -0.02 0.45 0.00 0.00 0.00 179.25 180.24 1kfq h HIS 420 N 1.07 0.44 0.00 0.00 3.86 -1.15 -2.14 115.15 117.23 1kfq h HIS 420 Ca 0.28 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1kfq h HIS 420 Cb -0.01 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 1kfq h HIS 420 CO 0.01 0.60 -0.08 0.87 0.86 0.00 0.00 177.93 180.19 1kfq h LYS 421 N 0.15 0.00 -0.55 2.45 1.79 -1.02 -2.77 116.57 116.61 1kfq h LYS 421 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1kfq h LYS 421 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1kfq h LYS 421 CO 0.01 0.08 0.00 0.09 -1.08 0.00 0.00 179.45 178.55 1kfq n ASN 422 N -4.35 3.87 0.00 0.86 4.13 -0.76 -4.65 115.26 114.37 1kfq n ASN 422 Ca -0.03 -2.21 -0.09 0.00 1.68 0.00 0.00 54.58 53.93 1kfq n ASN 422 Cb 0.16 -0.44 -0.03 0.00 -1.54 0.00 0.00 39.78 37.92 1kfq n ASN 422 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1kfq h LYS 423 N 3.34 -0.15 -2.10 3.52 3.64 -1.09 -3.34 116.57 120.39 1kfq h LYS 423 Ca 0.00 0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.82 1kfq h LYS 423 Cb 1.08 0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 32.54 1kfq h LYS 423 CO 0.08 -0.10 -0.99 0.09 -2.27 0.00 0.00 179.45 176.27 1kfq n ASN 424 N -5.27 0.84 -4.20 4.20 4.13 -1.26 -5.10 115.26 108.59 1kfq n ASN 424 Ca -0.03 -2.81 -0.17 0.00 1.68 0.00 0.00 54.58 53.25 1kfq n ASN 424 Cb 0.19 -0.64 -0.11 0.00 -1.54 0.00 0.00 39.78 37.68 1kfq n ASN 424 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1kfq s THR 425 N -1.30 1.15 -0.06 3.41 2.01 -1.26 -5.07 115.64 114.53 1kfq s THR 425 Ca 0.35 -1.60 -0.15 0.00 0.31 0.00 0.00 61.69 60.60 1kfq s THR 425 Cb 0.15 -1.37 -0.11 0.00 0.01 0.00 0.00 72.50 71.18 1kfq s THR 425 CO -0.10 -0.42 0.60 -2.24 -0.69 0.00 0.00 174.62 171.77 1kfq h ASP 426 N 3.71 -0.22 -2.40 3.53 2.03 -1.97 -3.46 116.42 117.63 1kfq h ASP 426 Ca -0.39 -0.21 -0.46 0.00 -0.73 0.00 0.00 57.03 55.24 1kfq h ASP 426 Cb 1.19 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1kfq h ASP 426 CO 0.49 0.32 -0.31 -1.38 -1.03 0.00 0.00 179.24 177.33 1kfq s HIS 427 N -2.90 3.41 -0.02 4.15 -3.43 -1.26 -5.07 115.29 110.18 1kfq s HIS 427 Ca -0.09 0.10 -0.30 0.00 -0.80 0.00 0.00 55.06 53.98 1kfq s HIS 427 Cb 0.00 -1.80 -0.03 0.00 -1.43 0.00 0.00 32.58 29.32 1kfq s HIS 427 CO 0.31 0.20 1.05 0.12 -2.00 0.00 0.00 174.74 174.43 1kfq s PHE 428 N -2.17 3.53 -0.46 0.38 5.36 -1.26 -4.98 117.98 118.38 1kfq s PHE 428 Ca 0.39 1.54 -0.26 0.00 -0.96 0.00 0.00 56.93 57.65 1kfq s PHE 428 Cb -0.09 -3.23 0.03 0.00 -0.34 0.00 0.00 43.02 39.39 1kfq s PHE 428 CO 0.32 -0.45 0.93 0.08 -1.46 0.00 0.00 175.22 174.65 1kfq s VAL 429 N 1.37 4.47 0.89 3.12 1.01 -1.26 -5.02 120.40 124.98 1kfq s VAL 429 Ca 0.53 0.80 -0.12 0.00 0.00 0.00 0.00 61.98 63.18 1kfq s VAL 429 Cb -0.22 -4.43 0.12 0.00 0.00 0.00 0.00 36.38 31.85 1kfq s VAL 429 CO 0.25 -0.82 1.14 0.42 0.00 0.00 0.00 175.10 176.10 1kfq s THR 430 N 3.76 2.05 0.24 3.92 -4.23 -1.26 -4.89 115.64 115.22 1kfq s THR 430 Ca 0.38 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.93 1kfq s THR 430 Cb -0.10 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 1kfq s THR 430 CO 0.26 -0.02 1.58 -0.37 -0.54 0.00 0.00 174.62 175.53 1kfq h VAL 431 N -1.40 1.35 -0.64 2.29 -1.51 -1.96 -2.79 116.25 111.59 1kfq h VAL 431 Ca -0.50 -1.83 0.01 0.00 -1.23 0.00 0.00 66.70 63.15 1kfq h VAL 431 Cb 1.33 1.87 -0.03 0.00 -2.13 0.00 0.00 31.29 32.33 1kfq h VAL 431 CO 0.63 0.55 0.42 -0.08 -1.23 0.00 0.00 177.57 177.86 1kfq h GLU 432 N 0.24 0.85 -0.61 5.19 4.81 -1.92 -1.90 114.58 121.23 1kfq h GLU 432 Ca 0.00 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1kfq h GLU 432 Cb 1.03 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1kfq h GLU 432 CO 0.09 0.57 0.40 1.49 -0.73 0.00 0.00 179.01 180.82 1kfq h GLU 433 N 0.87 0.79 -0.58 1.92 4.81 -1.89 -0.65 114.58 119.85 1kfq h GLU 433 Ca 0.24 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1kfq h GLU 433 Cb -0.09 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.06 1kfq h GLU 433 CO -0.05 0.52 0.33 0.82 -0.73 0.00 0.00 179.01 179.90 1kfq h ILE 434 N 0.81 1.00 -0.20 2.32 2.04 -1.15 -0.11 117.51 122.22 1kfq h ILE 434 Ca 0.23 -0.21 -0.13 0.00 1.00 0.00 0.00 64.86 65.75 1kfq h ILE 434 Cb -0.08 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1kfq h ILE 434 CO -0.06 0.11 -0.41 0.58 0.00 0.00 0.00 178.15 178.38 1kfq h VAL 435 N 0.63 1.31 -0.36 1.67 2.07 -0.94 -1.93 116.25 118.69 1kfq h VAL 435 Ca 0.25 -1.57 -0.14 0.00 0.82 0.00 0.00 66.70 66.06 1kfq h VAL 435 Cb 0.11 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1kfq h VAL 435 CO -0.15 0.49 -0.34 0.74 0.02 0.00 0.00 177.57 178.33 1kfq h THR 436 N 0.39 1.28 -0.47 2.57 2.02 -0.63 -0.36 112.91 117.71 1kfq h THR 436 Ca 0.03 -1.50 -0.05 0.00 0.77 0.00 0.00 66.41 65.67 1kfq h THR 436 Cb 0.89 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1kfq h THR 436 CO 0.07 0.50 0.10 1.56 0.37 0.00 0.00 175.52 178.12 1kfq h GLN 437 N 0.69 0.75 -0.34 6.66 4.20 -0.91 0.13 115.11 126.30 1kfq h GLN 437 Ca 0.07 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.62 1kfq h GLN 437 Cb 0.89 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 1kfq h GLN 437 CO 0.08 0.75 0.14 -0.92 -0.67 0.00 0.00 178.83 178.21 1kfq h TYR 438 N 0.63 0.26 -0.51 2.96 3.20 -1.11 -2.17 116.97 120.23 1kfq h TYR 438 Ca 0.15 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 1kfq h TYR 438 Cb 0.34 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1kfq h TYR 438 CO 0.02 0.13 0.01 -1.49 -1.64 0.00 0.00 178.16 175.19 1kfq h TRP 439 N 0.30 0.91 0.00 -3.82 6.55 -0.74 -0.20 115.95 118.95 1kfq h TRP 439 Ca 0.15 -0.13 -0.01 0.00 0.95 0.00 0.00 58.89 59.84 1kfq h TRP 439 Cb 0.09 -0.25 -0.00 0.00 -0.86 0.00 0.00 29.16 28.14 1kfq h TRP 439 CO -0.12 0.83 -0.05 1.96 -1.05 0.00 0.00 178.44 180.01 1kfq h GLN 440 N 0.79 0.00 0.00 0.49 4.20 -0.31 -0.24 115.11 120.05 1kfq h GLN 440 Ca 0.15 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.45 1kfq h GLN 440 Cb 0.47 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 1kfq h GLN 440 CO 0.02 0.05 -2.47 0.94 -0.67 0.00 0.00 178.83 176.70 1kfq n GLN 441 N -3.42 0.63 -0.00 1.46 7.27 -0.84 -4.70 117.38 117.78 1kfq n GLN 441 Ca -0.02 0.20 0.09 0.00 0.07 0.00 0.00 57.00 57.34 1kfq n GLN 441 Cb 0.18 -1.52 -0.12 0.00 2.41 0.00 0.00 30.24 31.19 1kfq n GLN 441 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1kfq n PHE 442 N -3.63 0.00 0.00 3.69 3.72 -0.15 -5.10 117.46 115.99 1kfq n PHE 442 Ca -0.48 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.92 1kfq n PHE 442 Cb 0.95 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 1kfq n PHE 442 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kfq n GLY 443 N 1.43 0.70 3.28 1.37 0.00 -0.10 -4.93 105.19 106.94 1kfq n GLY 443 Ca 0.01 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 1kfq n GLY 443 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kfq s ARG 444 N -1.59 2.45 -0.59 1.61 3.52 -0.52 -4.47 118.95 119.35 1kfq s ARG 444 Ca 0.00 -0.91 -0.10 0.00 -0.13 0.00 0.00 55.73 54.60 1kfq s ARG 444 Cb 0.00 -2.14 0.15 0.00 -1.56 0.00 0.00 34.95 31.40 1kfq s ARG 444 CO 0.00 0.43 0.47 -0.80 -0.81 0.00 0.00 175.30 174.59 1kfq s ASN 445 N -0.28 5.90 0.16 -2.12 -0.87 -1.26 -2.13 114.94 114.33 1kfq s ASN 445 Ca 0.00 -2.26 -0.31 0.00 -1.57 0.00 0.00 52.86 48.72 1kfq s ASN 445 Cb -0.13 -2.04 -0.08 0.00 -0.02 0.00 0.00 41.25 38.97 1kfq s ASN 445 CO 0.02 -0.62 1.35 -0.31 -2.57 0.00 0.00 177.10 174.98 1kfq s TYR 446 N 0.83 3.24 -0.05 2.20 1.51 -0.54 -4.88 117.35 119.67 1kfq s TYR 446 Ca 0.10 1.09 -0.04 0.00 -1.01 0.00 0.00 57.07 57.21 1kfq s TYR 446 Cb -0.22 -3.65 0.02 0.00 -0.11 0.00 0.00 41.96 38.00 1kfq s TYR 446 CO -0.03 -2.14 0.13 -0.47 -1.11 0.00 0.00 175.55 171.92 1kfq s TYR 447 N 0.59 -0.14 0.05 2.71 6.14 -1.26 -1.24 117.35 124.20 1kfq s TYR 447 Ca 0.60 0.35 -0.18 0.00 0.64 0.00 0.00 57.07 58.48 1kfq s TYR 447 Cb -0.37 0.03 0.04 0.00 0.42 0.00 0.00 41.96 42.08 1kfq s TYR 447 CO 0.35 -0.08 0.42 0.45 0.64 0.00 0.00 175.55 177.33 1kfq s SER 448 N 0.21 -0.29 -0.08 4.32 0.15 -0.56 -5.01 113.70 112.43 1kfq s SER 448 Ca -0.01 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.64 1kfq s SER 448 Cb -0.02 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1kfq s SER 448 CO -0.01 -0.68 -0.13 -0.60 1.20 0.00 0.00 173.24 173.02 1kfq s ARG 449 N -2.57 1.90 -0.21 5.44 3.52 -0.15 -0.27 118.95 126.61 1kfq s ARG 449 Ca -0.05 -0.46 -0.12 0.00 -0.13 0.00 0.00 55.73 54.97 1kfq s ARG 449 Cb -0.01 -1.61 -0.05 0.00 -1.56 0.00 0.00 34.95 31.72 1kfq s ARG 449 CO -0.03 -0.02 0.23 0.71 -0.81 0.00 0.00 175.30 175.37 1kfq s TYR 450 N 0.86 3.38 -0.22 5.12 4.12 0.18 -1.73 117.35 129.05 1kfq s TYR 450 Ca -0.10 0.41 -0.06 0.00 0.02 0.00 0.00 57.07 57.33 1kfq s TYR 450 Cb -0.15 -2.31 -0.03 0.00 -1.52 0.00 0.00 41.96 37.95 1kfq s TYR 450 CO 0.01 0.14 0.03 -0.51 0.02 0.00 0.00 175.55 175.25 1kfq s ASP 451 N 0.76 5.00 -0.45 2.29 1.11 0.78 -0.71 116.67 125.45 1kfq s ASP 451 Ca 0.12 -0.19 -0.04 0.00 0.18 0.00 0.00 52.55 52.62 1kfq s ASP 451 Cb -0.13 -1.87 0.12 0.00 1.07 0.00 0.00 42.92 42.10 1kfq s ASP 451 CO 0.03 0.03 0.26 -0.31 1.18 0.00 0.00 175.17 176.36 1kfq s TYR 452 N 1.21 3.54 0.24 4.23 2.02 0.89 0.12 117.35 129.59 1kfq s TYR 452 Ca 0.04 -2.33 -0.04 0.00 -0.37 0.00 0.00 57.07 54.36 1kfq s TYR 452 Cb -0.14 -3.29 -0.05 0.00 -0.40 0.00 0.00 41.96 38.08 1kfq s TYR 452 CO 0.02 -0.97 0.48 -1.21 -1.57 0.00 0.00 175.55 172.31 1kfq s GLU 453 N 1.06 3.62 -1.28 -0.62 2.02 -1.26 -0.29 118.70 121.95 1kfq s GLU 453 Ca 0.09 -0.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.86 1kfq s GLU 453 Cb -0.23 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.28 1kfq s GLU 453 CO -0.03 0.31 0.57 1.04 0.02 0.00 0.00 175.26 177.17 1kfq n GLN 454 N -0.62 -1.74 -3.77 1.61 1.13 -1.10 -4.97 117.38 107.92 1kfq n GLN 454 Ca -0.02 0.33 -0.26 0.00 -1.94 0.00 0.00 57.00 55.11 1kfq n GLN 454 Cb 0.53 -3.91 -0.03 0.00 0.11 0.00 0.00 30.24 26.94 1kfq n GLN 454 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1kfq s VAL 455 N -3.73 5.24 -0.10 5.09 1.01 -0.15 -4.87 120.40 122.89 1kfq s VAL 455 Ca 0.27 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 1kfq s VAL 455 Cb -0.12 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 1kfq s VAL 455 CO 0.90 -0.18 2.05 -0.62 0.00 0.00 0.00 175.10 177.25 1kfq s ASP 456 N -3.29 5.99 0.40 3.32 3.68 -1.26 -1.52 116.67 123.99 1kfq s ASP 456 Ca 0.37 2.22 0.18 0.00 2.13 0.00 0.00 52.55 57.45 1kfq s ASP 456 Cb -0.11 -2.52 1.09 0.00 -1.45 0.00 0.00 42.92 39.93 1kfq s ASP 456 CO 0.29 -1.48 1.79 -1.28 0.13 0.00 0.00 175.17 174.62 1kfq h SER 457 N 12.63 0.45 0.49 -0.34 0.87 -1.78 -1.62 113.55 124.24 1kfq h SER 457 Ca -0.44 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 1kfq h SER 457 Cb 1.23 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 1kfq h SER 457 CO 0.96 0.11 -0.35 0.00 -0.53 0.00 0.00 176.83 177.02 1kfq h ALA 458 N 1.61 -0.83 -0.77 6.23 0.00 -1.88 -2.24 119.26 121.38 1kfq h ALA 458 Ca 0.57 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.36 1kfq h ALA 458 Cb 1.43 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 1kfq h ALA 458 CO -0.27 -0.99 0.48 0.78 0.00 0.00 0.00 179.25 179.25 1kfq h GLY 459 N -0.81 1.11 0.46 0.00 0.00 -1.59 -2.90 103.07 99.34 1kfq h GLY 459 Ca -0.05 -0.36 0.07 0.00 0.00 0.00 0.00 47.33 46.98 1kfq h GLY 459 CO 0.02 0.30 0.07 0.00 0.00 0.00 0.00 176.54 176.93 1kfq h ALA 460 N 1.33 0.43 0.00 3.60 0.00 -1.20 -0.72 119.26 122.70 1kfq h ALA 460 Ca 0.31 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1kfq h ALA 460 Cb 0.03 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1kfq h ALA 460 CO -0.12 -0.34 0.00 -0.91 0.00 0.00 0.00 179.25 177.89 1kfq h ASN 461 N 0.19 0.00 0.00 0.00 4.21 -1.22 -2.79 115.58 115.97 1kfq h ASN 461 Ca 0.20 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.68 1kfq h ASN 461 Cb 0.25 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1kfq h ASN 461 CO -0.28 0.00 -0.11 0.11 -1.29 0.00 0.00 177.43 175.87 1kfq h LYS 462 N 0.00 0.07 -0.34 0.81 1.79 -0.96 -2.80 116.57 115.13 1kfq h LYS 462 Ca 0.00 -0.08 0.07 0.00 -2.18 0.00 0.00 60.65 58.47 1kfq h LYS 462 Cb 0.38 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.97 1kfq h LYS 462 CO 0.00 0.88 -0.15 1.98 -1.08 0.00 0.00 179.45 181.07 1kfq h MET 463 N -0.71 -0.09 -0.53 3.15 1.85 -1.21 0.54 114.93 117.92 1kfq h MET 463 Ca -0.01 0.01 0.08 0.00 -0.61 0.00 0.00 59.70 59.17 1kfq h MET 463 Cb 0.92 0.02 -0.07 0.00 0.43 0.00 0.00 31.60 32.90 1kfq h MET 463 CO 0.02 -0.06 0.15 0.52 -0.40 0.00 0.00 176.91 177.14 1kfq h MET 464 N -0.10 0.30 -0.32 0.39 2.86 -1.58 0.56 114.93 117.05 1kfq h MET 464 Ca 0.17 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1kfq h MET 464 Cb 0.36 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1kfq h MET 464 CO -0.40 0.20 -0.16 0.93 1.06 0.00 0.00 176.91 178.54 1kfq h GLU 465 N 0.31 0.57 -0.65 1.72 4.39 -0.99 -2.12 114.58 117.79 1kfq h GLU 465 Ca 0.27 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 1kfq h GLU 465 Cb 0.34 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1kfq h GLU 465 CO -0.31 0.70 0.10 1.25 -1.16 0.00 0.00 179.01 179.59 1kfq h HIS 466 N 0.51 1.15 -0.68 4.33 2.76 0.22 -2.74 115.15 120.70 1kfq h HIS 466 Ca 0.09 -0.16 0.12 0.00 -2.20 0.00 0.00 60.37 58.22 1kfq h HIS 466 Cb 0.57 -0.31 -0.08 0.00 1.55 0.00 0.00 27.41 29.13 1kfq h HIS 466 CO 0.02 0.97 0.25 -0.07 -1.30 0.00 0.00 177.93 177.80 1kfq h LEU 467 N 1.01 0.22 -1.66 0.26 3.38 0.70 -0.20 115.31 119.01 1kfq h LEU 467 Ca 0.20 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1kfq h LEU 467 Cb 0.44 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1kfq h LEU 467 CO 0.01 0.11 0.17 0.11 0.09 0.00 0.00 178.44 178.93 1kfq h LYS 468 N 0.41 0.00 -0.01 1.13 1.57 -1.29 0.11 116.57 118.48 1kfq h LYS 468 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1kfq h LYS 468 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1kfq h LYS 468 CO -0.36 0.00 -0.33 0.25 -0.57 0.00 0.00 179.45 178.44 1kfq n THR 469 N -2.48 0.00 -0.52 -0.16 -2.24 -0.09 -4.05 114.28 104.73 1kfq n THR 469 Ca -0.02 -0.19 0.08 0.00 -2.27 0.00 0.00 64.05 61.65 1kfq n THR 469 Cb 0.20 0.76 0.24 0.00 -2.10 0.00 0.00 70.33 69.44 1kfq n THR 469 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kfq n LYS 470 N -0.32 3.11 0.09 -0.78 4.76 0.37 -4.66 118.16 120.72 1kfq n LYS 470 Ca 0.11 -2.52 -0.13 0.00 -2.87 0.00 0.00 58.31 52.91 1kfq n LYS 470 Cb 0.40 -1.60 -0.08 0.00 -1.84 0.00 0.00 35.03 31.90 1kfq n LYS 470 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1kfq h PHE 471 N 2.63 -0.20 0.04 2.13 0.05 -1.70 -2.23 116.94 117.64 1kfq h PHE 471 Ca 0.00 -0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.80 1kfq h PHE 471 Cb 1.13 0.07 -0.02 0.00 2.00 0.00 0.00 35.95 39.12 1kfq h PHE 471 CO 0.46 0.11 -0.12 1.96 -0.18 0.00 0.00 178.31 180.54 1kfq h GLN 472 N -0.52 -0.21 -0.70 1.51 4.20 -1.89 -1.34 115.11 116.16 1kfq h GLN 472 Ca -0.02 0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.84 1kfq h GLN 472 Cb 0.40 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.14 1kfq h GLN 472 CO 0.04 -0.14 0.21 -0.92 -0.67 0.00 0.00 178.83 177.34 1kfq h TYR 473 N -0.22 0.34 -0.58 2.96 3.20 -1.86 0.06 116.97 120.87 1kfq h TYR 473 Ca 0.03 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 1kfq h TYR 473 Cb 0.25 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1kfq h TYR 473 CO -0.16 -0.01 0.10 0.35 -1.64 0.00 0.00 178.16 176.80 1kfq h PHE 474 N 0.33 0.96 0.00 -3.82 3.57 -0.85 -2.77 116.94 114.37 1kfq h PHE 474 Ca 0.38 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 1kfq h PHE 474 Cb 0.59 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1kfq h PHE 474 CO -0.22 0.82 -0.43 0.93 -2.23 0.00 0.00 178.31 177.19 1kfq h GLU 475 N 0.87 0.00 0.00 1.11 5.08 -0.13 -3.25 114.58 118.26 1kfq h GLU 475 Ca 0.18 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1kfq h GLU 475 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1kfq h GLU 475 CO 0.01 0.43 -0.50 1.96 -1.00 0.00 0.00 179.01 179.90 1kfq h GLN 476 N 0.00 0.00 0.10 2.33 1.08 -0.78 -3.37 115.11 114.48 1kfq h GLN 476 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1kfq h GLN 476 Cb 1.10 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.52 1kfq h GLN 476 CO 0.06 0.50 -0.14 -0.07 -0.95 0.00 0.00 178.83 178.22 1kfq h LEU 477 N 0.00 -0.40 -8.53 1.46 3.38 -1.53 -3.45 115.31 106.24 1kfq h LEU 477 Ca -0.00 0.04 -0.38 0.00 0.09 0.00 0.00 57.88 57.62 1kfq h LEU 477 Cb 1.25 0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.96 1kfq h LEU 477 CO 0.06 -0.17 -0.75 -0.75 0.09 0.00 0.00 178.44 176.92 1kfq s LYS 478 N -3.77 0.94 0.36 1.13 2.20 -1.26 -5.13 119.74 114.21 1kfq s LYS 478 Ca -0.05 -1.18 -0.27 0.00 -0.36 0.00 0.00 55.97 54.11 1kfq s LYS 478 Cb 0.01 -0.75 -0.09 0.00 -1.51 0.00 0.00 37.83 35.49 1kfq s LYS 478 CO 0.16 0.14 1.27 -0.65 -0.36 0.00 0.00 175.35 175.91 1kfq s GLN 479 N -2.63 4.21 0.00 4.03 -1.52 -1.26 -3.11 119.66 119.38 1kfq s GLN 479 Ca 0.07 2.10 0.00 0.00 -1.95 0.00 0.00 55.36 55.58 1kfq s GLN 479 Cb -0.05 -2.92 0.00 0.00 -0.22 0.00 0.00 33.01 29.82 1kfq s GLN 479 CO 0.02 -0.27 0.00 0.41 -0.25 0.00 0.00 175.29 175.20 1kfq n GLY 480 N 0.76 0.96 3.77 3.09 0.00 -1.26 -4.60 105.19 107.92 1kfq n GLY 480 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1kfq n GLY 480 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kfq s ASN 481 N -2.80 7.01 -0.08 1.61 -0.87 -1.18 -2.24 114.94 116.38 1kfq s ASN 481 Ca 0.00 2.22 -0.03 0.00 -1.57 0.00 0.00 52.86 53.47 1kfq s ASN 481 Cb 0.00 -2.61 0.05 0.00 -0.02 0.00 0.00 41.25 38.66 1kfq s ASN 481 CO 0.00 -0.32 0.16 -0.75 -2.57 0.00 0.00 177.10 173.61 1kfq s LYS 482 N -1.88 0.03 -0.09 -0.60 2.36 -0.36 -4.66 119.74 114.54 1kfq s LYS 482 Ca 0.50 0.55 0.02 0.00 -2.55 0.00 0.00 55.97 54.50 1kfq s LYS 482 Cb -0.29 -0.27 -0.02 0.00 -1.05 0.00 0.00 37.83 36.20 1kfq s LYS 482 CO 0.37 -0.30 -0.16 0.00 1.55 0.00 0.00 175.35 176.81 1kfq s ALA 483 N 2.25 2.55 0.19 3.13 0.00 -1.26 -1.54 121.76 127.08 1kfq s ALA 483 Ca 0.03 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 50.82 1kfq s ALA 483 Cb -0.12 -1.05 0.07 0.00 0.00 0.00 0.00 23.12 22.02 1kfq s ALA 483 CO -0.06 0.37 0.96 0.16 0.00 0.00 0.00 175.76 177.19 1kfq s ASP 484 N -0.04 -0.10 -0.39 0.00 -4.77 -0.70 -4.98 116.67 105.67 1kfq s ASP 484 Ca -0.04 -0.56 -0.15 0.00 -3.30 0.00 0.00 52.55 48.50 1kfq s ASP 484 Cb -0.14 0.53 0.01 0.00 -1.09 0.00 0.00 42.92 42.23 1kfq s ASP 484 CO 0.04 -1.02 0.29 -0.63 0.70 0.00 0.00 175.17 174.56 1kfq s ILE 485 N -2.87 5.26 -0.23 2.11 1.01 -1.26 -0.89 121.20 124.34 1kfq s ILE 485 Ca 0.16 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.99 1kfq s ILE 485 Cb -0.02 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.50 1kfq s ILE 485 CO 0.04 -0.23 2.18 0.00 0.00 0.00 0.00 174.94 176.93 1kfq n TYR 486 N 5.17 1.93 -5.15 3.97 9.36 -0.48 -4.78 117.16 127.17 1kfq n TYR 486 Ca -0.11 -0.04 -0.32 0.00 3.32 0.00 0.00 57.90 60.75 1kfq n TYR 486 Cb 0.48 -2.68 -0.16 0.00 -0.63 0.00 0.00 39.34 36.35 1kfq n TYR 486 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1kfq s ASP 487 N 7.60 3.31 -0.18 2.98 1.01 -1.26 -1.32 116.67 128.80 1kfq s ASP 487 Ca 1.02 -0.46 -0.03 0.00 0.71 0.00 0.00 52.55 53.79 1kfq s ASP 487 Cb -0.49 -1.04 -0.02 0.00 1.01 0.00 0.00 42.92 42.39 1kfq s ASP 487 CO 0.40 0.23 -0.05 -0.47 0.21 0.00 0.00 175.17 175.49 1kfq s TYR 488 N -0.08 2.96 -0.40 4.23 5.04 0.14 -5.00 117.35 124.25 1kfq s TYR 488 Ca -0.05 -0.62 -0.07 0.00 -2.44 0.00 0.00 57.07 53.89 1kfq s TYR 488 Cb -0.14 -2.01 0.08 0.00 0.35 0.00 0.00 41.96 40.23 1kfq s TYR 488 CO 0.04 -0.29 0.21 0.08 -1.34 0.00 0.00 175.55 174.25 1kfq s VAL 489 N 0.88 3.85 -0.09 3.14 1.01 -1.26 -0.61 120.40 127.32 1kfq s VAL 489 Ca -0.01 -1.52 -0.38 0.00 0.00 0.00 0.00 61.98 60.08 1kfq s VAL 489 Cb -0.15 -3.38 -0.15 0.00 0.00 0.00 0.00 36.38 32.69 1kfq s VAL 489 CO 0.01 -0.48 1.60 -0.67 0.00 0.00 0.00 175.10 175.57 1kfq n ASP 490 N 4.81 2.28 0.10 3.32 -0.08 -0.21 -4.84 116.55 121.93 1kfq n ASP 490 Ca -0.09 1.08 0.12 0.00 -1.51 0.00 0.00 54.79 54.39 1kfq n ASP 490 Cb 0.43 -1.20 0.46 0.00 2.34 0.00 0.00 41.12 43.14 1kfq n ASP 490 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1kfq n PRO 491 N 4.32 0.17 -0.06 -0.67 -0.02 -1.26 -1.92 135.00 135.56 1kfq n PRO 491 Ca 0.22 0.34 -0.05 0.00 -2.02 0.00 0.00 63.50 61.99 1kfq n PRO 491 Cb 0.18 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1kfq n PRO 491 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1kfq n VAL 492 N -2.11 1.13 0.07 -1.45 0.31 -1.26 -4.69 118.33 110.33 1kfq n VAL 492 Ca 0.03 0.25 0.11 0.00 -0.01 0.00 0.00 64.34 64.72 1kfq n VAL 492 Cb 0.26 -2.17 0.24 0.00 -0.91 0.00 0.00 33.84 31.26 1kfq n VAL 492 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1kfq n ASP 493 N -4.05 3.58 0.00 4.52 3.85 -1.26 -4.95 116.55 118.24 1kfq n ASP 493 Ca -0.09 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.01 1kfq n ASP 493 Cb 0.32 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1kfq n ASP 493 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kfq n GLN 494 N 1.49 0.00 -1.01 0.11 3.00 -0.81 -4.95 117.38 115.21 1kfq n GLN 494 Ca 0.20 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.85 1kfq n GLN 494 Cb 0.60 -3.79 0.09 0.00 0.00 0.00 0.00 30.24 27.14 1kfq n GLN 494 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1kfq n SER 495 N 0.00 -2.42 -3.81 1.08 2.88 -1.26 -4.49 113.62 105.60 1kfq n SER 495 Ca 0.00 0.41 -0.26 0.00 -1.33 0.00 0.00 58.87 57.69 1kfq n SER 495 Cb 0.00 -1.13 -0.17 0.00 -0.75 0.00 0.00 64.21 62.16 1kfq n SER 495 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1kfq s VAL 496 N -2.15 0.70 -0.30 2.46 1.01 -1.26 -1.04 120.40 119.82 1kfq s VAL 496 Ca 0.57 -0.33 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 1kfq s VAL 496 Cb -0.27 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1kfq s VAL 496 CO 0.66 0.10 0.33 -0.44 0.00 0.00 0.00 175.10 175.76 1kfq s SER 497 N 1.81 6.18 0.22 3.32 0.01 0.22 -4.97 113.70 120.49 1kfq s SER 497 Ca 0.02 0.06 0.07 0.00 1.31 0.00 0.00 55.95 57.41 1kfq s SER 497 Cb -0.14 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1kfq s SER 497 CO -0.07 -0.21 0.08 -0.75 0.41 0.00 0.00 173.24 172.71 1kfq s LYS 498 N 1.99 2.63 -0.78 12.44 2.20 -1.26 0.28 119.74 137.24 1kfq s LYS 498 Ca 0.12 -1.13 -0.02 0.00 -0.36 0.00 0.00 55.97 54.59 1kfq s LYS 498 Cb -0.16 -2.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 1kfq s LYS 498 CO 0.11 0.42 0.63 -1.71 -0.36 0.00 0.00 175.35 174.44 1kfq n ASN 499 N -0.68 -5.69 -1.37 1.43 5.15 -1.18 -4.93 115.26 107.99 1kfq n ASN 499 Ca -0.08 -0.68 -0.10 0.00 -0.60 0.00 0.00 54.58 53.12 1kfq n ASN 499 Cb 0.57 -2.68 0.16 0.00 -0.53 0.00 0.00 39.78 37.30 1kfq n ASN 499 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kfq n GLN 500 N -2.27 2.21 0.00 1.20 1.13 -0.43 -5.02 117.38 114.20 1kfq n GLN 500 Ca -0.22 -3.41 0.00 0.00 -1.94 0.00 0.00 57.00 51.43 1kfq n GLN 500 Cb 0.64 -1.92 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1kfq n GLN 500 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kfq n GLY 501 N -1.03 3.86 3.61 1.08 0.00 -1.26 -4.91 105.19 106.54 1kfq n GLY 501 Ca 0.36 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 1kfq n GLY 501 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfq s VAL 502 N -2.25 4.34 0.04 1.61 1.01 -0.42 -1.39 120.40 123.35 1kfq s VAL 502 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1kfq s VAL 502 Cb 0.00 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1kfq s VAL 502 CO 0.00 0.52 -0.19 -0.13 0.00 0.00 0.00 175.10 175.31 1kfq s ARG 503 N -0.08 2.04 -0.32 2.72 0.52 -0.07 -1.36 118.95 122.39 1kfq s ARG 503 Ca 0.04 -1.00 -0.01 0.00 -0.52 0.00 0.00 55.73 54.24 1kfq s ARG 503 Cb -0.13 -2.17 0.11 0.00 0.52 0.00 0.00 34.95 33.29 1kfq s ARG 503 CO 0.02 0.54 0.13 -0.06 0.02 0.00 0.00 175.30 175.95 1kfq s PHE 504 N -0.92 1.32 0.15 -0.53 0.40 -0.78 -1.73 117.98 115.89 1kfq s PHE 504 Ca 0.14 -1.60 0.08 0.00 -0.60 0.00 0.00 56.93 54.95 1kfq s PHE 504 Cb -0.10 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1kfq s PHE 504 CO 0.05 -0.85 -0.07 0.14 0.70 0.00 0.00 175.22 175.19 1kfq s VAL 505 N 1.53 3.43 0.23 -0.44 -7.23 -0.59 -0.71 120.40 116.63 1kfq s VAL 505 Ca 0.11 -1.43 0.05 0.00 -1.81 0.00 0.00 61.98 58.91 1kfq s VAL 505 Cb -0.18 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 1kfq s VAL 505 CO -0.23 -0.02 0.29 -0.36 -0.31 0.00 0.00 175.10 174.48 1kfq s PHE 506 N -1.51 3.34 0.53 2.82 0.40 0.40 -1.22 117.98 122.74 1kfq s PHE 506 Ca 0.24 -0.04 0.20 0.00 -0.60 0.00 0.00 56.93 56.73 1kfq s PHE 506 Cb -0.10 -1.52 1.38 0.00 0.51 0.00 0.00 43.02 43.28 1kfq s PHE 506 CO 0.16 0.48 2.14 0.78 0.70 0.00 0.00 175.22 179.48 1kfq h GLY 507 N 1.42 0.00 1.16 4.36 0.00 -1.70 -2.14 103.07 106.17 1kfq h GLY 507 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1kfq h GLY 507 CO 0.62 0.00 -0.03 2.09 0.00 0.00 0.00 176.54 179.22 1kfq n ASP 508 N -4.40 0.17 0.00 0.19 5.75 -1.26 -4.92 116.55 112.09 1kfq n ASP 508 Ca -0.01 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.21 1kfq n ASP 508 Cb 0.16 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1kfq n ASP 508 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kfq n GLY 509 N 1.19 2.45 3.75 6.12 0.00 -0.80 -4.83 105.19 113.07 1kfq n GLY 509 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1kfq n GLY 509 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kfq s SER 510 N -1.65 4.15 -0.13 1.61 0.01 -1.26 -4.75 113.70 111.69 1kfq s SER 510 Ca 0.00 1.93 -0.32 0.00 1.31 0.00 0.00 55.95 58.87 1kfq s SER 510 Cb 0.00 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 63.82 1kfq s SER 510 CO 0.00 -2.27 1.08 0.00 0.41 0.00 0.00 173.24 172.45 1kfq s ARG 511 N -4.78 0.51 -0.12 12.44 1.70 0.97 -0.45 118.95 129.22 1kfq s ARG 511 Ca 0.63 -0.14 0.01 0.00 -0.47 0.00 0.00 55.73 55.75 1kfq s ARG 511 Cb -0.19 0.24 0.02 0.00 -0.57 0.00 0.00 34.95 34.45 1kfq s ARG 511 CO 0.55 -0.21 -0.12 0.42 -1.08 0.00 0.00 175.30 174.86 1kfq s ILE 512 N -2.45 1.34 -0.04 4.99 1.01 0.12 -0.72 121.20 125.44 1kfq s ILE 512 Ca 0.07 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1kfq s ILE 512 Cb -0.01 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 1kfq s ILE 512 CO -0.06 0.42 -0.18 -0.63 0.00 0.00 0.00 174.94 174.49 1kfq s ILE 513 N 1.31 2.75 -0.02 2.92 1.09 0.11 -1.86 121.20 127.51 1kfq s ILE 513 Ca -0.01 -0.84 0.07 0.00 -1.10 0.00 0.00 60.65 58.78 1kfq s ILE 513 Cb -0.14 -2.05 -0.02 0.00 -1.06 0.00 0.00 42.46 39.20 1kfq s ILE 513 CO -0.06 0.59 -0.25 -0.36 -0.10 0.00 0.00 174.94 174.77 1kfq s PHE 514 N -0.69 2.22 -0.25 3.97 0.08 -0.46 -0.43 117.98 122.42 1kfq s PHE 514 Ca 0.11 -0.45 -0.24 0.00 0.12 0.00 0.00 56.93 56.47 1kfq s PHE 514 Cb -0.10 -1.43 0.07 0.00 -0.57 0.00 0.00 43.02 40.98 1kfq s PHE 514 CO 0.00 -0.06 0.68 -0.98 -0.10 0.00 0.00 175.22 174.76 1kfq s ARG 515 N -0.53 0.80 -0.12 0.44 1.70 -0.66 -1.30 118.95 119.28 1kfq s ARG 515 Ca 0.08 0.92 -0.06 0.00 -0.47 0.00 0.00 55.73 56.21 1kfq s ARG 515 Cb -0.10 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 1kfq s ARG 515 CO -0.00 -0.10 0.09 -0.51 -1.08 0.00 0.00 175.30 173.69 1kfq s LEU 516 N 0.32 4.07 -0.93 -1.89 1.43 -1.26 -0.77 118.68 119.66 1kfq s LEU 516 Ca -0.00 0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1kfq s LEU 516 Cb -0.05 -1.98 0.23 0.00 0.03 0.00 0.00 46.19 44.42 1kfq s LEU 516 CO 0.01 0.36 0.84 -0.44 0.23 0.00 0.00 176.35 177.35 1kfq s SER 517 N -0.74 6.30 -1.06 2.29 0.01 0.02 -4.99 113.70 115.52 1kfq s SER 517 Ca 0.13 -3.59 -0.20 0.00 1.31 0.00 0.00 55.95 53.60 1kfq s SER 517 Cb -0.12 -1.99 0.10 0.00 0.21 0.00 0.00 66.02 64.22 1kfq s SER 517 CO 0.03 -0.24 1.39 -0.83 0.41 0.00 0.00 173.24 174.00 1kfq s GLY 518 N 0.37 1.70 -0.32 3.44 0.00 -1.26 -3.31 107.32 107.94 1kfq s GLY 518 Ca 0.27 -2.69 0.16 0.00 0.00 0.00 0.00 44.72 42.47 1kfq s GLY 518 CO -0.11 2.39 1.36 -1.30 0.00 0.00 0.00 173.10 175.45 1kfq n THR 519 N 6.04 0.48 -2.84 0.90 -2.24 -1.26 -5.12 114.28 110.24 1kfq n THR 519 Ca 0.33 -1.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.34 1kfq n THR 519 Cb 0.48 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1kfq n THR 519 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfq n GLY 520 N -1.11 5.89 3.31 3.38 0.00 -1.26 -5.09 105.19 110.30 1kfq n GLY 520 Ca -0.07 -1.56 -0.45 0.00 0.00 0.00 0.00 46.02 43.94 1kfq n GLY 520 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kfq n SER 521 N 0.00 5.60 -1.61 1.61 2.88 -1.26 -4.59 113.62 116.26 1kfq n SER 521 Ca 0.00 -3.08 -0.16 0.00 -1.33 0.00 0.00 58.87 54.30 1kfq n SER 521 Cb 0.00 -1.39 -0.06 0.00 -0.75 0.00 0.00 64.21 62.01 1kfq n SER 521 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1kfq n VAL 522 N 2.69 -0.11 -3.60 2.46 0.31 -1.26 -4.90 118.33 113.92 1kfq n VAL 522 Ca 0.26 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.43 1kfq n VAL 522 Cb 0.39 -1.66 -0.13 0.00 -0.91 0.00 0.00 33.84 31.53 1kfq n VAL 522 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1kfq s GLY 523 N -2.33 -0.07 0.28 2.92 0.00 -1.26 -2.20 107.32 104.66 1kfq s GLY 523 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 44.72 45.41 1kfq s GLY 523 CO 0.00 2.02 0.14 0.00 0.00 0.00 0.00 173.10 175.26 1kfq n ALA 524 N 5.34 0.36 -2.79 3.20 0.00 -0.58 -4.22 120.51 121.82 1kfq n ALA 524 Ca -0.06 -1.16 -0.31 0.00 0.00 0.00 0.00 53.44 51.92 1kfq n ALA 524 Cb 0.50 0.54 -0.16 0.00 0.00 0.00 0.00 19.45 20.32 1kfq n ALA 524 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kfq s THR 525 N -1.60 1.94 -0.22 0.00 2.01 -1.21 -0.97 115.64 115.59 1kfq s THR 525 Ca 0.10 -1.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 1kfq s THR 525 Cb -0.01 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1kfq s THR 525 CO 0.07 0.54 0.05 -0.63 -0.69 0.00 0.00 174.62 173.96 1kfq s ILE 526 N -0.10 4.33 -0.15 1.82 1.01 0.60 -0.80 121.20 127.91 1kfq s ILE 526 Ca -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1kfq s ILE 526 Cb -0.14 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 1kfq s ILE 526 CO 0.04 0.38 -0.11 -0.13 0.00 0.00 0.00 174.94 175.11 1kfq s ARG 527 N 1.23 3.36 -0.15 2.79 0.52 0.05 -0.08 118.95 126.68 1kfq s ARG 527 Ca 0.04 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 1kfq s ARG 527 Cb -0.14 -2.72 -0.00 0.00 0.52 0.00 0.00 34.95 32.60 1kfq s ARG 527 CO 0.03 0.09 -0.15 0.42 0.02 0.00 0.00 175.30 175.70 1kfq s ILE 528 N 0.68 2.68 -0.21 1.52 1.01 0.11 -1.65 121.20 125.33 1kfq s ILE 528 Ca -0.06 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 1kfq s ILE 528 Cb -0.15 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1kfq s ILE 528 CO 0.02 0.52 0.04 -0.31 0.00 0.00 0.00 174.94 175.21 1kfq s TYR 529 N 0.73 3.10 -0.21 3.97 2.02 0.42 0.47 117.35 127.85 1kfq s TYR 529 Ca -0.07 -0.31 -0.04 0.00 -0.37 0.00 0.00 57.07 56.28 1kfq s TYR 529 Cb -0.16 -2.14 -0.01 0.00 -0.40 0.00 0.00 41.96 39.25 1kfq s TYR 529 CO 0.01 -0.19 -0.03 -0.06 -1.57 0.00 0.00 175.55 173.71 1kfq s PHE 530 N 1.09 2.98 -0.08 2.71 0.08 0.63 -0.71 117.98 124.68 1kfq s PHE 530 Ca 0.03 -0.76 -0.01 0.00 0.12 0.00 0.00 56.93 56.32 1kfq s PHE 530 Cb -0.14 -2.10 0.03 0.00 -0.57 0.00 0.00 43.02 40.24 1kfq s PHE 530 CO 0.03 -0.44 -0.03 -2.00 -0.10 0.00 0.00 175.22 172.68 1kfq s GLU 531 N 1.31 0.93 -0.13 0.44 2.12 0.10 -1.50 118.70 121.97 1kfq s GLU 531 Ca 0.04 -0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.35 1kfq s GLU 531 Cb -0.14 -1.14 0.01 0.00 0.26 0.00 0.00 34.13 33.11 1kfq s GLU 531 CO -0.01 -0.25 -0.20 -1.14 -0.54 0.00 0.00 175.26 173.12 1kfq s GLN 532 N 1.71 2.79 0.03 4.30 2.00 -0.38 -0.02 119.66 130.09 1kfq s GLN 532 Ca 0.02 -0.77 -0.12 0.00 -2.00 0.00 0.00 55.36 52.49 1kfq s GLN 532 Cb -0.13 -2.28 -0.06 0.00 0.80 0.00 0.00 33.01 31.35 1kfq s GLN 532 CO -0.05 -0.03 0.39 0.12 -0.50 0.00 0.00 175.29 175.22 1kfq s PHE 533 N 0.88 3.66 -0.13 1.67 5.36 -1.26 -1.47 117.98 126.68 1kfq s PHE 533 Ca -0.07 0.88 -0.03 0.00 -0.96 0.00 0.00 56.93 56.75 1kfq s PHE 533 Cb -0.15 -2.22 0.05 0.00 -0.34 0.00 0.00 43.02 40.36 1kfq s PHE 533 CO -0.02 0.59 0.06 -1.21 -1.46 0.00 0.00 175.22 173.18 1kfq s GLU 534 N -1.45 0.26 0.35 10.12 0.41 -0.91 -4.90 118.70 122.58 1kfq s GLU 534 Ca 0.28 -0.03 0.08 0.00 -0.41 0.00 0.00 54.97 54.89 1kfq s GLU 534 Cb -0.15 -1.47 0.64 0.00 -1.78 0.00 0.00 34.13 31.37 1kfq s GLU 534 CO 0.15 -0.53 1.83 0.37 -0.49 0.00 0.00 175.26 176.59 1kfq h GLN 535 N 8.37 0.25 0.00 1.61 5.75 -1.92 -1.38 115.11 127.78 1kfq h GLN 535 Ca -0.15 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 1kfq h GLN 535 Cb 1.13 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1kfq h GLN 535 CO 0.27 0.48 -0.36 0.00 -2.65 0.00 0.00 178.83 176.57 1kfq n GLN 536 N -4.17 2.11 -2.70 1.69 0.00 -1.26 -4.42 117.38 108.64 1kfq n GLN 536 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 57.00 56.56 1kfq n GLN 536 Cb 0.35 -0.68 -0.02 0.00 0.00 0.00 0.00 30.24 29.90 1kfq n GLN 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1kfq s GLN 537 N -1.17 3.80 -0.18 2.61 -0.21 -1.26 -4.79 119.66 118.45 1kfq s GLN 537 Ca 0.00 -1.75 0.16 0.00 0.02 0.00 0.00 55.36 53.79 1kfq s GLN 537 Cb 0.00 -5.28 0.64 0.00 1.00 0.00 0.00 33.01 29.37 1kfq s GLN 537 CO 0.00 -2.07 1.55 0.44 -2.12 0.00 0.00 175.29 173.09 1kfq n ILE 538 N 6.10 2.33 0.33 1.08 -5.35 -1.26 -4.46 119.36 118.13 1kfq n ILE 538 Ca 0.37 -1.59 0.04 0.00 -0.27 0.00 0.00 62.75 61.30 1kfq n ILE 538 Cb 0.48 -0.17 -0.00 0.00 -1.74 0.00 0.00 39.64 38.20 1kfq n ILE 538 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kfq n GLN 539 N 0.13 2.30 -1.25 6.28 6.02 -1.26 -5.04 117.38 124.56 1kfq n GLN 539 Ca 0.23 -0.50 -0.35 0.00 -0.01 0.00 0.00 57.00 56.37 1kfq n GLN 539 Cb 0.97 -1.00 0.09 0.00 1.02 0.00 0.00 30.24 31.33 1kfq n GLN 539 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1kfq n HIS 540 N -0.33 0.37 -3.06 1.08 8.25 -1.26 -4.99 115.22 115.28 1kfq n HIS 540 Ca 0.03 0.38 -0.37 0.00 -0.26 0.00 0.00 57.72 57.50 1kfq n HIS 540 Cb 0.15 -2.04 -0.06 0.00 1.12 0.00 0.00 29.99 29.17 1kfq n HIS 540 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1kfq s GLU 541 N -3.40 4.32 0.21 -0.41 2.12 -1.26 -4.93 118.70 115.36 1kfq s GLU 541 Ca 0.71 0.95 -0.09 0.00 0.36 0.00 0.00 54.97 56.89 1kfq s GLU 541 Cb -0.33 -2.92 0.31 0.00 0.26 0.00 0.00 34.13 31.45 1kfq s GLU 541 CO 0.53 0.41 1.71 1.15 -0.54 0.00 0.00 175.26 178.51 1kfq h THR 542 N 2.81 0.65 -0.59 -1.70 2.02 -1.98 -2.05 112.91 112.06 1kfq h THR 542 Ca -0.48 -0.10 0.11 0.00 0.77 0.00 0.00 66.41 66.72 1kfq h THR 542 Cb 1.19 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 67.86 1kfq h THR 542 CO 0.65 0.05 0.12 0.00 0.37 0.00 0.00 175.52 176.72 1kfq h ALA 543 N 1.48 0.70 0.38 6.16 0.00 -1.98 -0.58 119.26 125.42 1kfq h ALA 543 Ca 0.32 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1kfq h ALA 543 Cb 0.48 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1kfq h ALA 543 CO -0.40 -0.31 -0.18 1.15 0.00 0.00 0.00 179.25 179.51 1kfq h THR 544 N 0.26 0.61 -0.48 0.00 2.02 -1.82 -0.51 112.91 113.00 1kfq h THR 544 Ca 0.31 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 67.21 1kfq h THR 544 Cb 0.46 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 1kfq h THR 544 CO -0.40 0.06 0.16 0.00 0.37 0.00 0.00 175.52 175.72 1kfq h ALA 545 N -0.19 0.57 0.00 6.16 0.00 -1.10 -1.99 119.26 122.72 1kfq h ALA 545 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kfq h ALA 545 Cb 0.50 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1kfq h ALA 545 CO 0.09 -0.24 0.00 -0.07 0.00 0.00 0.00 179.25 179.03 1kfq h LEU 546 N 0.33 0.00 -0.34 0.00 4.07 -1.14 -3.39 115.31 114.84 1kfq h LEU 546 Ca 0.23 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.22 1kfq h LEU 546 Cb 0.24 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.94 1kfq h LEU 546 CO -0.24 0.00 -0.20 0.00 -1.08 0.00 0.00 178.44 176.92 1kfq n ALA 547 N -1.82 -0.22 0.32 1.53 0.00 -0.20 -1.54 120.51 118.58 1kfq n ALA 547 Ca 0.04 0.29 -0.18 0.00 0.00 0.00 0.00 53.44 53.59 1kfq n ALA 547 Cb 0.39 0.11 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 1kfq n ALA 547 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1kfq h ASN 548 N 0.00 -1.21 0.01 0.00 -0.26 -1.78 -2.28 115.58 110.07 1kfq h ASN 548 Ca 0.05 0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1kfq h ASN 548 Cb 0.14 0.38 -0.00 0.00 -1.06 0.00 0.00 38.32 37.78 1kfq h ASN 548 CO -0.32 -0.65 -0.01 0.16 -1.06 0.00 0.00 177.43 175.56 1kfq h ILE 549 N -1.00 0.66 -0.11 2.81 3.07 -1.78 -1.65 117.51 119.50 1kfq h ILE 549 Ca -0.07 -0.02 -0.03 0.00 1.55 0.00 0.00 64.86 66.30 1kfq h ILE 549 Cb 0.85 1.01 -0.00 0.00 -0.27 0.00 0.00 36.82 38.41 1kfq h ILE 549 CO -0.00 0.01 -0.03 0.40 -1.05 0.00 0.00 178.15 177.47 1kfq h ILE 550 N 0.00 1.30 -0.87 0.16 2.04 -1.06 -0.18 117.51 118.90 1kfq h ILE 550 Ca -0.00 -1.00 0.13 0.00 1.00 0.00 0.00 64.86 64.99 1kfq h ILE 550 Cb 0.01 1.74 -0.09 0.00 -0.74 0.00 0.00 36.82 37.75 1kfq h ILE 550 CO 0.00 0.28 0.49 0.50 0.00 0.00 0.00 178.15 179.42 1kfq h LYS 551 N -0.12 0.72 0.52 2.37 3.64 -0.74 -1.46 116.57 121.50 1kfq h LYS 551 Ca 0.03 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1kfq h LYS 551 Cb 0.46 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1kfq h LYS 551 CO 0.01 0.48 -0.25 1.25 -2.27 0.00 0.00 179.45 178.67 1kfq h LEU 552 N 0.74 -0.59 -0.67 5.20 5.85 -1.20 -2.84 115.31 121.79 1kfq h LEU 552 Ca 0.45 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 59.23 1kfq h LEU 552 Cb 0.55 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 1kfq h LEU 552 CO -0.31 -0.24 0.24 1.23 -0.34 0.00 0.00 178.44 179.02 1kfq h GLY 553 N -0.99 0.96 1.08 3.75 0.00 -0.69 0.17 103.07 107.35 1kfq h GLY 553 Ca -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1kfq h GLY 553 CO 0.12 -0.06 0.50 1.41 0.00 0.00 0.00 176.54 178.50 1kfq h LEU 554 N 0.40 1.07 -0.24 3.11 3.38 -1.34 -1.58 115.31 120.12 1kfq h LEU 554 Ca 0.35 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 58.03 1kfq h LEU 554 Cb 0.49 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1kfq h LEU 554 CO -0.36 0.85 -0.80 -0.33 0.09 0.00 0.00 178.44 177.88 1kfq h GLU 555 N 1.22 0.59 -0.33 1.13 5.08 -1.04 -1.32 114.58 119.92 1kfq h GLU 555 Ca 0.31 -0.51 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1kfq h GLU 555 Cb -0.01 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1kfq h GLU 555 CO -0.05 1.13 -0.17 0.82 -1.00 0.00 0.00 179.01 179.74 1kfq h ILE 556 N 0.39 1.29 0.00 3.13 2.04 -0.48 -3.09 117.51 120.79 1kfq h ILE 556 Ca -0.05 -1.28 -0.13 0.00 1.00 0.00 0.00 64.86 64.39 1kfq h ILE 556 Cb 1.42 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 1kfq h ILE 556 CO 0.15 0.42 -0.73 0.77 0.00 0.00 0.00 178.15 178.76 1kfq h SER 557 N 0.45 0.00 -3.22 1.72 4.64 -1.39 -3.44 113.55 112.31 1kfq h SER 557 Ca 0.07 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.02 1kfq h SER 557 Cb 0.70 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1kfq h SER 557 CO 0.05 0.58 -0.51 -0.67 -0.87 0.00 0.00 176.83 175.41 1kfq n ASP 558 N -3.18 -5.53 -0.25 4.97 4.64 -0.50 -4.85 116.55 111.85 1kfq n ASP 558 Ca -0.00 -0.11 0.15 0.00 -1.38 0.00 0.00 54.79 53.45 1kfq n ASP 558 Cb 0.78 -4.49 0.44 0.00 -1.04 0.00 0.00 41.12 36.81 1kfq n ASP 558 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 1kfq h ILE 559 N -0.50 0.76 -0.13 5.18 2.10 -1.86 -1.97 117.51 121.09 1kfq h ILE 559 Ca -0.46 -0.19 0.02 0.00 1.08 0.00 0.00 64.86 65.32 1kfq h ILE 559 Cb 1.33 0.16 -0.01 0.00 -1.09 0.00 0.00 36.82 37.21 1kfq h ILE 559 CO 0.52 0.10 0.09 0.00 -1.08 0.00 0.00 178.15 177.78 1kfq h ALA 560 N 1.61 2.04 0.07 0.18 0.00 -1.81 -2.50 119.26 118.85 1kfq h ALA 560 Ca 0.46 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.13 1kfq h ALA 560 Cb 0.93 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1kfq h ALA 560 CO -0.20 -0.07 -1.21 0.37 0.00 0.00 0.00 179.25 178.14 1kfq h GLN 561 N 0.06 0.14 -0.40 0.00 4.15 -1.64 -2.98 115.11 114.45 1kfq h GLN 561 Ca 0.06 -0.24 -0.07 0.00 0.77 0.00 0.00 58.65 59.16 1kfq h GLN 561 Cb 0.15 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1kfq h GLN 561 CO -0.01 1.12 -0.05 0.74 -1.93 0.00 0.00 178.83 178.71 1kfq h PHE 562 N -0.58 0.71 0.04 3.99 -1.00 -1.52 -3.34 116.94 115.24 1kfq h PHE 562 Ca -0.28 -0.10 -0.30 0.00 2.81 0.00 0.00 57.97 60.10 1kfq h PHE 562 Cb 1.54 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 40.88 1kfq h PHE 562 CO 0.14 0.70 -1.67 2.41 -1.61 0.00 0.00 178.31 178.28 1kfq n THR 563 N -4.22 1.61 0.00 -1.55 -1.04 -0.95 -4.67 114.28 103.46 1kfq n THR 563 Ca 0.02 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1kfq n THR 563 Cb 0.30 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 1kfq n THR 563 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kfq n GLY 564 N 1.62 1.01 3.70 3.41 0.00 -1.12 -4.85 105.19 108.96 1kfq n GLY 564 Ca -0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1kfq n GLY 564 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kfq s ARG 565 N -0.58 4.43 0.00 1.61 1.81 -1.26 -4.91 118.95 120.05 1kfq s ARG 565 Ca 0.00 1.02 0.16 0.00 -1.72 0.00 0.00 55.73 55.19 1kfq s ARG 565 Cb 0.00 -3.48 0.37 0.00 -0.45 0.00 0.00 34.95 31.40 1kfq s ARG 565 CO 0.00 -0.05 1.29 0.27 -0.68 0.00 0.00 175.30 176.14 1kfq n ASN 566 N 4.12 3.13 -3.60 0.23 0.23 -1.26 -4.11 115.26 114.00 1kfq n ASN 566 Ca 0.01 -1.92 -0.12 0.00 -0.53 0.00 0.00 54.58 52.02 1kfq n ASN 566 Cb 0.51 -0.26 -0.05 0.00 -2.08 0.00 0.00 39.78 37.90 1kfq n ASN 566 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1kfq s GLU 567 N -1.09 1.05 0.60 -3.83 0.41 -1.26 -5.07 118.70 109.52 1kfq s GLU 567 Ca 0.31 -0.48 -0.15 0.00 -0.41 0.00 0.00 54.97 54.24 1kfq s GLU 567 Cb 0.17 0.47 -0.04 0.00 -1.78 0.00 0.00 34.13 32.96 1kfq s GLU 567 CO 0.23 -0.40 1.04 -2.14 -0.49 0.00 0.00 175.26 173.50 1kfq s PRO 568 N -3.15 3.38 0.11 0.39 0.02 -1.26 -4.96 135.00 129.53 1kfq s PRO 568 Ca -0.01 1.07 -0.09 0.00 0.02 0.00 0.00 61.00 61.99 1kfq s PRO 568 Cb 0.00 -2.05 -0.14 0.00 0.02 0.00 0.00 34.50 32.34 1kfq s PRO 568 CO -0.07 -0.75 1.28 1.15 -0.33 0.00 0.00 177.00 178.28 1kfq h THR 569 N 0.23 1.32 -2.99 0.99 2.02 0.47 -3.46 112.91 111.50 1kfq h THR 569 Ca -0.46 -2.21 -0.15 0.00 0.77 0.00 0.00 66.41 64.36 1kfq h THR 569 Cb 1.21 2.25 -0.25 0.00 -1.74 0.00 0.00 68.15 69.62 1kfq h THR 569 CO 0.58 0.68 -0.35 -0.69 0.37 0.00 0.00 175.52 176.12 1kfq s VAL 570 N -3.46 0.00 -0.14 3.16 1.01 -0.99 -4.99 120.40 114.99 1kfq s VAL 570 Ca -0.08 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1kfq s VAL 570 Cb 0.08 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 36.03 1kfq s VAL 570 CO 0.89 -0.02 -0.19 -0.63 0.00 0.00 0.00 175.10 175.15 1kfq s ILE 571 N 0.06 1.89 0.00 2.22 1.01 -1.26 -0.16 121.20 124.96 1kfq s ILE 571 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1kfq s ILE 571 Cb -0.02 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.75 1kfq s ILE 571 CO 0.01 0.51 0.49 0.41 0.00 0.00 0.00 174.94 176.36