#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c0t s GLN 2 N 0.00 3.54 -0.25 2.12 2.00 -0.23 0.05 119.66 126.90 3c0t s GLN 2 Ca 0.00 -0.59 -0.06 0.00 -2.00 0.00 0.00 55.36 52.71 3c0t s GLN 2 Cb 0.00 -2.82 -0.02 0.00 0.80 0.00 0.00 33.01 30.97 3c0t s GLN 2 CO 0.00 0.20 0.04 -2.00 -0.50 0.00 0.00 175.29 173.03 3c0t s GLU 3 N 0.45 3.51 -0.15 1.67 2.12 -0.02 -0.54 118.70 125.74 3c0t s GLU 3 Ca -0.06 -0.56 -0.08 0.00 0.36 0.00 0.00 54.97 54.63 3c0t s GLU 3 Cb -0.15 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 3c0t s GLU 3 CO 0.04 -0.23 0.11 -0.51 -0.54 0.00 0.00 175.26 174.13 3c0t s LEU 4 N 1.57 4.19 0.29 2.70 1.02 -0.54 -1.57 118.68 126.34 3c0t s LEU 4 Ca 0.06 0.31 -0.13 0.00 0.02 0.00 0.00 54.13 54.39 3c0t s LEU 4 Cb -0.15 -2.04 0.01 0.00 0.02 0.00 0.00 46.19 44.03 3c0t s LEU 4 CO 0.02 0.30 0.56 -0.72 0.02 0.00 0.00 176.35 176.53 3c0t s TYR 5 N -0.36 0.38 -0.02 0.29 -0.85 -0.09 -1.53 117.35 115.17 3c0t s TYR 5 Ca 0.11 -0.78 -0.04 0.00 -0.52 0.00 0.00 57.07 55.84 3c0t s TYR 5 Cb -0.12 0.32 0.00 0.00 0.38 0.00 0.00 41.96 42.54 3c0t s TYR 5 CO 0.01 -1.15 0.09 -0.51 -1.52 0.00 0.00 175.55 172.48 3c0t s LEU 6 N -3.05 1.69 0.09 -3.49 1.43 0.83 -0.95 118.68 115.22 3c0t s LEU 6 Ca 0.21 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 3c0t s LEU 6 Cb -0.02 0.40 -0.03 0.00 0.03 0.00 0.00 46.19 46.57 3c0t s LEU 6 CO 0.11 -0.17 -0.20 -0.76 0.23 0.00 0.00 176.35 175.56 3c0t s LEU 7 N -0.60 2.27 0.18 1.79 1.43 0.04 -0.69 118.68 123.11 3c0t s LEU 7 Ca -0.07 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 3c0t s LEU 7 Cb -0.04 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.32 3c0t s LEU 7 CO 0.00 0.07 0.42 -0.83 0.23 0.00 0.00 176.35 176.25 3c0t s GLY 8 N -1.74 0.10 -0.02 -3.19 0.00 0.60 -1.19 107.32 101.88 3c0t s GLY 8 Ca 0.06 -0.46 0.06 0.00 0.00 0.00 0.00 44.72 44.38 3c0t s GLY 8 CO 0.04 -0.48 -0.20 0.54 0.00 0.00 0.00 173.10 173.00 3c0t s VAL 9 N -3.90 1.58 -0.21 1.40 0.11 -1.26 0.06 120.40 118.17 3c0t s VAL 9 Ca 0.11 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.34 3c0t s VAL 9 Cb 0.01 -1.32 0.04 0.00 -1.53 0.00 0.00 36.38 33.58 3c0t s VAL 9 CO -0.03 0.45 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.38 3c0t s VAL 10 N -0.35 1.87 0.50 2.04 1.01 0.85 -4.85 120.40 121.47 3c0t s VAL 10 Ca 0.05 -1.17 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 3c0t s VAL 10 Cb -0.09 -1.90 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 3c0t s VAL 10 CO 0.00 0.19 1.32 -2.65 0.00 0.00 0.00 175.10 173.96 3c0t n PRO 11 N 4.60 1.80 -0.26 2.72 -0.02 -1.26 0.06 135.00 142.64 3c0t n PRO 11 Ca -0.16 0.65 0.15 0.00 -2.02 0.00 0.00 63.50 62.13 3c0t n PRO 11 Cb 0.46 -2.51 0.43 0.00 -0.02 0.00 0.00 33.50 31.87 3c0t n PRO 11 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3c0t h SER 12 N 1.70 0.56 0.46 2.55 0.87 -1.91 -0.65 113.55 117.12 3c0t h SER 12 Ca -0.50 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 3c0t h SER 12 Cb 1.30 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3c0t h SER 12 CO 0.58 0.25 -0.15 0.08 -0.53 0.00 0.00 176.83 177.06 3c0t h ARG 13 N 0.57 0.00 -0.02 2.24 0.11 -1.96 -2.79 114.38 112.53 3c0t h ARG 13 Ca 0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.55 3c0t h ARG 13 Cb 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 3c0t h ARG 13 CO -0.21 0.15 -0.19 0.54 0.10 0.00 0.00 179.97 180.36 3c0t n ARG 14 N -3.62 1.70 -0.15 0.08 1.74 -0.27 -4.58 116.66 111.55 3c0t n ARG 14 Ca -0.01 -1.33 -0.06 0.00 -0.77 0.00 0.00 57.85 55.68 3c0t n ARG 14 Cb 0.28 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.25 3c0t n ARG 14 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3c0t h PHE 15 N 3.25 -0.78 -0.17 -1.55 3.57 -1.25 -0.65 116.94 119.36 3c0t h PHE 15 Ca 0.00 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.60 3c0t h PHE 15 Cb 0.80 0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 3c0t h PHE 15 CO 0.00 -0.35 -0.07 1.49 -2.23 0.00 0.00 178.31 177.15 3c0t h GLU 16 N -0.18 -0.04 -0.77 1.11 4.81 -1.81 -0.80 114.58 116.91 3c0t h GLU 16 Ca 0.21 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3c0t h GLU 16 Cb 0.52 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 3c0t h GLU 16 CO -0.59 -0.03 0.28 0.00 -0.73 0.00 0.00 179.01 177.95 3c0t h ALA 17 N 1.12 1.05 -0.38 2.92 0.00 -1.76 -1.82 119.26 120.40 3c0t h ALA 17 Ca 0.09 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3c0t h ALA 17 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3c0t h ALA 17 CO -0.20 0.66 -0.24 0.28 0.00 0.00 0.00 179.25 179.75 3c0t h VAL 18 N 1.13 1.28 -0.44 0.00 2.07 -0.84 -1.20 116.25 118.25 3c0t h VAL 18 Ca 0.25 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 3c0t h VAL 18 Cb 0.25 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3c0t h VAL 18 CO -0.02 0.46 0.20 0.58 0.02 0.00 0.00 177.57 178.81 3c0t h VAL 19 N 0.63 1.19 -0.74 2.57 2.07 -1.02 0.10 116.25 121.04 3c0t h VAL 19 Ca 0.08 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 3c0t h VAL 19 Cb 0.80 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3c0t h VAL 19 CO 0.07 0.21 0.37 0.78 0.02 0.00 0.00 177.57 179.02 3c0t h ASN 20 N 0.57 0.95 -0.72 0.57 2.35 -1.23 0.59 115.58 118.66 3c0t h ASN 20 Ca 0.15 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 3c0t h ASN 20 Cb 0.15 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3c0t h ASN 20 CO -0.02 0.79 0.25 0.28 -1.65 0.00 0.00 177.43 177.09 3c0t h SER 21 N 1.05 1.03 -0.15 5.81 0.02 -0.60 -0.16 113.55 120.56 3c0t h SER 21 Ca 0.26 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 3c0t h SER 21 Cb 0.08 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3c0t h SER 21 CO -0.04 0.95 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.40 3c0t h LEU 22 N 1.06 0.51 -0.57 5.07 3.38 -0.02 -1.35 115.31 123.39 3c0t h LEU 22 Ca 0.24 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 3c0t h LEU 22 Cb 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3c0t h LEU 22 CO -0.01 0.68 -0.43 0.28 0.09 0.00 0.00 178.44 179.05 3c0t h SER 23 N 0.48 0.00 0.92 -0.43 0.02 -0.39 0.77 113.55 114.92 3c0t h SER 23 Ca 0.09 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.81 3c0t h SER 23 Cb 0.53 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3c0t h SER 23 CO 0.03 0.43 -1.07 0.50 -1.14 0.00 0.00 176.83 175.58 3c0t h LYS 24 N 0.00 0.04 0.00 3.45 3.64 -0.55 -3.38 116.57 119.77 3c0t h LYS 24 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3c0t h LYS 24 Cb 1.09 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3c0t h LYS 24 CO 0.06 1.01 -1.59 0.25 -2.27 0.00 0.00 179.45 176.90 3c0t n THR 25 N -3.36 0.00 -4.60 1.00 -2.24 -0.55 -5.05 114.28 99.47 3c0t n THR 25 Ca -0.02 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 3c0t n THR 25 Cb 0.96 0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 69.33 3c0t n THR 25 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3c0t s LEU 26 N -3.91 2.69 0.23 3.22 1.43 0.26 -5.07 118.68 117.53 3c0t s LEU 26 Ca -0.04 -1.44 -0.08 0.00 -1.03 0.00 0.00 54.13 51.54 3c0t s LEU 26 Cb 0.10 -0.90 -0.06 0.00 0.03 0.00 0.00 46.19 45.35 3c0t s LEU 26 CO 0.61 -0.62 0.53 -1.81 0.23 0.00 0.00 176.35 175.29 3c0t s ASP 27 N -3.80 6.56 0.00 2.29 1.01 -0.58 -4.70 116.67 117.44 3c0t s ASP 27 Ca 0.25 0.82 0.00 0.00 0.71 0.00 0.00 52.55 54.34 3c0t s ASP 27 Cb 0.06 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.81 3c0t s ASP 27 CO 0.13 -0.09 0.00 0.61 0.21 0.00 0.00 175.17 176.03 3c0t n GLY 28 N -0.33 0.08 4.02 0.21 0.00 -1.26 -0.92 105.19 106.99 3c0t n GLY 28 Ca -0.00 -2.18 -0.19 0.00 0.00 0.00 0.00 46.02 43.64 3c0t n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3c0t s PRO 29 N 0.00 2.44 -0.00 1.61 0.04 -1.26 -4.98 135.00 132.84 3c0t s PRO 29 Ca 0.00 -1.41 0.05 0.00 0.04 0.00 0.00 61.00 59.68 3c0t s PRO 29 Cb 0.00 -2.65 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 3c0t s PRO 29 CO 0.00 -0.71 -0.15 -1.59 0.04 0.00 0.00 177.00 174.60 3c0t s LYS 30 N -4.61 1.16 0.58 4.56 -2.85 -0.16 -4.90 119.74 113.52 3c0t s LYS 30 Ca 0.60 -0.56 -0.18 0.00 -1.00 0.00 0.00 55.97 54.83 3c0t s LYS 30 Cb -0.07 -1.13 -0.04 0.00 -2.06 0.00 0.00 37.83 34.53 3c0t s LYS 30 CO 0.37 0.31 1.12 0.95 0.10 0.00 0.00 175.35 178.20 3c0t s THR 31 N -0.41 3.25 -0.10 3.79 -4.23 -1.26 -0.93 115.64 115.75 3c0t s THR 31 Ca 0.05 0.70 0.01 0.00 -1.18 0.00 0.00 61.69 61.27 3c0t s THR 31 Cb -0.06 -3.24 0.02 0.00 1.34 0.00 0.00 72.50 70.56 3c0t s THR 31 CO -0.00 -0.25 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.08 3c0t s ILE 32 N -2.01 1.25 -0.28 2.99 -1.09 0.11 -4.84 121.20 117.33 3c0t s ILE 32 Ca 0.70 -0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 58.62 3c0t s ILE 32 Cb -0.22 -1.18 0.13 0.00 -1.58 0.00 0.00 42.46 39.62 3c0t s ILE 32 CO 0.32 0.39 0.29 -0.22 -1.23 0.00 0.00 174.94 174.50 3c0t s LEU 33 N 1.11 -0.26 0.09 2.97 2.96 -1.24 -1.37 118.68 122.94 3c0t s LEU 33 Ca -0.05 -0.67 0.09 0.00 -0.22 0.00 0.00 54.13 53.28 3c0t s LEU 33 Cb -0.14 0.53 -0.03 0.00 0.50 0.00 0.00 46.19 47.04 3c0t s LEU 33 CO -0.02 -0.38 -0.24 -1.61 -1.32 0.00 0.00 176.35 172.78 3c0t s GLU 34 N 2.37 1.42 -0.21 1.98 2.02 -0.41 -1.79 118.70 124.08 3c0t s GLU 34 Ca 0.09 -1.17 -0.05 0.00 0.02 0.00 0.00 54.97 53.87 3c0t s GLU 34 Cb -0.14 -1.71 -0.02 0.00 0.10 0.00 0.00 34.13 32.36 3c0t s GLU 34 CO -0.31 0.42 -0.01 0.12 0.02 0.00 0.00 175.26 175.50 3c0t s PHE 35 N -0.97 3.01 -0.10 1.61 5.36 0.22 -0.94 117.98 126.16 3c0t s PHE 35 Ca 0.10 -0.63 0.01 0.00 -0.96 0.00 0.00 56.93 55.45 3c0t s PHE 35 Cb -0.10 -2.11 -0.02 0.00 -0.34 0.00 0.00 43.02 40.46 3c0t s PHE 35 CO 0.04 -0.37 -0.14 -1.58 -1.46 0.00 0.00 175.22 171.71 3c0t s TRP 36 N 1.25 2.77 -0.07 10.12 0.52 0.26 -1.11 118.94 132.68 3c0t s TRP 36 Ca 0.03 -0.49 0.02 0.00 0.02 0.00 0.00 56.10 55.68 3c0t s TRP 36 Cb -0.15 -1.77 0.01 0.00 -1.15 0.00 0.00 33.47 30.42 3c0t s TRP 36 CO 0.00 -0.09 -0.12 0.14 0.02 0.00 0.00 176.95 176.90 3c0t s VAL 37 N 0.00 1.18 -0.09 4.03 -7.23 -0.43 -1.02 120.40 116.84 3c0t s VAL 37 Ca -0.04 -0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 59.63 3c0t s VAL 37 Cb -0.14 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 3c0t s VAL 37 CO 0.04 0.37 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.46 3c0t s VAL 38 N 0.74 3.83 -0.03 1.32 1.01 0.88 -0.60 120.40 127.55 3c0t s VAL 38 Ca -0.13 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3c0t s VAL 38 Cb -0.16 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 3c0t s VAL 38 CO 0.03 0.57 -0.24 -0.31 0.00 0.00 0.00 175.10 175.15 3c0t s TYR 39 N -0.50 2.18 0.21 5.22 1.51 0.12 -0.69 117.35 125.40 3c0t s TYR 39 Ca 0.08 -0.49 0.10 0.00 -1.01 0.00 0.00 57.07 55.74 3c0t s TYR 39 Cb -0.12 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 3c0t s TYR 39 CO 0.02 -0.09 -0.12 -0.98 -1.11 0.00 0.00 175.55 173.27 3c0t s ARG 40 N -0.41 1.95 0.31 -0.62 1.70 -0.33 -0.04 118.95 121.51 3c0t s ARG 40 Ca 0.05 -1.41 -0.29 0.00 -0.47 0.00 0.00 55.73 53.60 3c0t s ARG 40 Cb -0.11 -2.05 -0.13 0.00 -0.57 0.00 0.00 34.95 32.10 3c0t s ARG 40 CO 0.01 0.40 1.33 -2.30 -1.08 0.00 0.00 175.30 173.66 3c0t n PRO 41 N -0.18 2.11 -1.73 3.89 -0.02 -1.26 -0.54 135.00 137.27 3c0t n PRO 41 Ca -0.09 0.74 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 3c0t n PRO 41 Cb 0.57 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 3c0t n PRO 41 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3c0t n LYS 42 N 1.08 3.88 -0.48 -0.52 4.81 0.74 -4.69 118.16 122.97 3c0t n LYS 42 Ca 0.07 -2.86 -0.22 0.00 -0.87 0.00 0.00 58.31 54.43 3c0t n LYS 42 Cb 0.35 -2.83 -0.04 0.00 0.02 0.00 0.00 35.03 32.53 3c0t n LYS 42 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3c0t n PRO 49 N 3.35 0.00 -1.66 1.64 -0.04 -1.26 -5.04 135.00 131.99 3c0t n PRO 49 Ca 0.64 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.72 3c0t n PRO 49 Cb 0.28 -0.54 0.05 0.00 -0.04 0.00 0.00 33.50 33.25 3c0t n PRO 49 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3c0t n ARG 50 N 2.46 1.15 -3.87 0.54 0.00 -1.26 -4.98 116.66 110.70 3c0t n ARG 50 Ca 0.18 0.44 -0.30 0.00 -0.00 0.00 0.00 57.85 58.17 3c0t n ARG 50 Cb -0.02 -2.29 -0.14 0.00 -0.00 0.00 0.00 32.46 30.01 3c0t n ARG 50 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3c0t s GLN 51 N -2.79 1.73 0.59 2.89 -1.52 -1.26 -4.98 119.66 114.32 3c0t s GLN 51 Ca 0.74 -2.40 0.32 0.00 -1.95 0.00 0.00 55.36 52.08 3c0t s GLN 51 Cb -0.43 -2.97 1.74 0.00 -0.22 0.00 0.00 33.01 31.14 3c0t s GLN 51 CO 0.48 -1.13 1.97 -1.00 -0.25 0.00 0.00 175.29 175.36 3c0t h PRO 52 N 6.59 0.00 0.00 2.91 0.13 -1.96 -1.86 132.00 137.81 3c0t h PRO 52 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3c0t h PRO 52 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3c0t h PRO 52 CO 0.61 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 3c0t n ASP 53 N -2.79 0.00 -0.43 1.44 3.85 -1.26 -1.55 116.55 115.81 3c0t n ASP 53 Ca -0.02 -0.05 0.05 0.00 -0.71 0.00 0.00 54.79 54.05 3c0t n ASP 53 Cb 0.23 -0.23 0.07 0.00 -1.35 0.00 0.00 41.12 39.84 3c0t n ASP 53 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3c0t n SER 54 N -1.23 2.07 -4.78 -1.12 3.41 -0.70 -4.32 113.62 106.95 3c0t n SER 54 Ca 0.08 -1.56 -0.37 0.00 -0.26 0.00 0.00 58.87 56.76 3c0t n SER 54 Cb 0.11 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 3c0t n SER 54 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3c0t s TRP 55 N -0.85 3.70 -0.20 7.33 0.52 -0.60 -4.74 118.94 124.11 3c0t s TRP 55 Ca 0.14 1.76 -0.23 0.00 0.02 0.00 0.00 56.10 57.78 3c0t s TRP 55 Cb 0.09 -2.90 -0.02 0.00 -1.15 0.00 0.00 33.47 29.49 3c0t s TRP 55 CO 0.12 0.23 0.74 -0.51 0.02 0.00 0.00 176.95 177.55 3c0t s LEU 56 N -2.02 4.14 -0.34 2.99 1.02 0.94 -4.55 118.68 120.86 3c0t s LEU 56 Ca 0.49 0.99 -0.05 0.00 0.02 0.00 0.00 54.13 55.58 3c0t s LEU 56 Cb -0.19 -3.07 0.05 0.00 0.02 0.00 0.00 46.19 43.01 3c0t s LEU 56 CO 0.24 -0.37 0.10 -0.13 0.02 0.00 0.00 176.35 176.21 3c0t s ARG 57 N 2.19 2.52 -0.16 1.70 0.52 -0.34 0.14 118.95 125.53 3c0t s ARG 57 Ca 0.33 -1.28 -0.14 0.00 -0.52 0.00 0.00 55.73 54.13 3c0t s ARG 57 Cb -0.16 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.83 3c0t s ARG 57 CO 0.10 -0.71 0.28 -0.51 0.02 0.00 0.00 175.30 174.49 3c0t s LEU 58 N 1.35 4.25 -0.10 2.53 1.02 0.23 -0.04 118.68 127.92 3c0t s LEU 58 Ca -0.01 0.50 0.03 0.00 0.02 0.00 0.00 54.13 54.66 3c0t s LEU 58 Cb -0.20 -2.36 0.01 0.00 0.02 0.00 0.00 46.19 43.66 3c0t s LEU 58 CO 0.01 0.11 -0.19 0.00 0.02 0.00 0.00 176.35 176.30 3c0t s SER 60 N 0.62 2.86 -0.66 0.00 0.15 -0.27 -0.69 113.70 115.71 3c0t s SER 60 Ca -0.13 -0.50 -0.27 0.00 0.70 0.00 0.00 55.95 55.75 3c0t s SER 60 Cb -0.16 -1.11 0.03 0.00 -1.71 0.00 0.00 66.02 63.07 3c0t s SER 60 CO 0.04 0.17 1.20 0.21 1.20 0.00 0.00 173.24 176.06 3c0t s ASN 61 N 0.20 6.28 0.00 5.45 3.04 -1.26 -0.61 114.94 128.03 3c0t s ASN 61 Ca -0.13 -0.28 0.29 0.00 0.04 0.00 0.00 52.86 52.79 3c0t s ASN 61 Cb -0.16 -2.54 1.34 0.00 -1.54 0.00 0.00 41.25 38.36 3c0t s ASN 61 CO 0.06 -1.64 1.92 2.30 -3.04 0.00 0.00 177.10 176.70 3c0t n ILE 62 N 6.44 0.00 0.31 -5.21 -5.35 -0.74 -3.37 119.36 111.44 3c0t n ILE 62 Ca 0.04 -0.10 0.20 0.00 -0.27 0.00 0.00 62.75 62.62 3c0t n ILE 62 Cb 0.49 -0.01 0.99 0.00 -1.74 0.00 0.00 39.64 39.36 3c0t n ILE 62 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3c0t h GLU 63 N 0.96 0.00 -2.08 6.28 4.57 -1.85 -2.81 114.58 119.66 3c0t h GLU 63 Ca 0.00 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.51 3c0t h GLU 63 Cb 0.31 0.00 -0.36 0.00 -0.16 0.00 0.00 28.75 28.53 3c0t h GLU 63 CO 0.00 0.02 -0.03 -1.13 -1.18 0.00 0.00 179.01 176.69 3c0t n SER 64 N -3.20 5.64 -3.75 1.04 3.41 -1.22 -5.01 113.62 110.53 3c0t n SER 64 Ca -0.02 -3.72 -0.11 0.00 -0.26 0.00 0.00 58.87 54.77 3c0t n SER 64 Cb 0.16 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.29 3c0t n SER 64 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3c0t s HIS 65 N -3.78 -0.06 -0.29 7.33 3.76 -1.06 -5.07 115.29 116.11 3c0t s HIS 65 Ca 0.47 -0.20 -0.19 0.00 -0.15 0.00 0.00 55.06 54.99 3c0t s HIS 65 Cb 0.30 0.09 -0.02 0.00 1.11 0.00 0.00 32.58 34.07 3c0t s HIS 65 CO -0.18 -0.56 0.56 -0.51 -0.85 0.00 0.00 174.74 173.19 3c0t s ASP 66 N -2.44 6.44 0.36 1.40 -0.00 -1.26 -4.90 116.67 116.27 3c0t s ASP 66 Ca -0.01 0.40 0.24 0.00 -0.00 0.00 0.00 52.55 53.19 3c0t s ASP 66 Cb 0.01 -2.30 1.32 0.00 -0.00 0.00 0.00 42.92 41.95 3c0t s ASP 66 CO -0.07 -0.39 1.75 1.05 -0.00 0.00 0.00 175.17 177.51 3c0t h GLU 67 N 8.15 0.00 0.00 8.23 4.11 -1.94 0.36 114.58 133.49 3c0t h GLU 67 Ca -0.28 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.10 3c0t h GLU 67 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3c0t h GLU 67 CO 0.76 0.00 -0.54 1.79 0.07 0.00 0.00 179.01 181.09 3c0t h THR 68 N 0.00 0.29 -1.59 -1.06 1.35 -1.94 -3.40 112.91 106.56 3c0t h THR 68 Ca 0.00 -1.44 -0.57 0.00 -0.55 0.00 0.00 66.41 63.85 3c0t h THR 68 Cb 0.02 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3c0t h THR 68 CO 0.00 0.16 1.53 -0.67 -0.25 0.00 0.00 175.52 176.29 3c0t n ASP 69 N -3.01 2.62 -0.23 5.36 -0.08 0.13 -4.83 116.55 116.51 3c0t n ASP 69 Ca 0.01 0.05 0.10 0.00 -1.51 0.00 0.00 54.79 53.44 3c0t n ASP 69 Cb 0.63 -1.47 0.38 0.00 2.34 0.00 0.00 41.12 42.99 3c0t n ASP 69 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3c0t h THR 70 N 7.33 0.91 -2.09 5.18 1.35 -1.87 -3.24 112.91 120.48 3c0t h THR 70 Ca -0.32 -0.24 -0.58 0.00 -0.55 0.00 0.00 66.41 64.72 3c0t h THR 70 Cb 1.27 0.15 -0.40 0.00 -1.73 0.00 0.00 68.15 67.43 3c0t h THR 70 CO 1.04 0.13 -0.88 -0.62 -0.25 0.00 0.00 175.52 174.95 3c0t n GLU 71 N -4.52 1.52 -0.01 4.72 1.02 -1.26 -4.91 120.64 117.20 3c0t n GLU 71 Ca 0.14 -3.87 -0.06 0.00 -0.02 0.00 0.00 57.16 53.36 3c0t n GLU 71 Cb 0.37 -1.68 0.14 0.00 -0.02 0.00 0.00 31.44 30.25 3c0t n GLU 71 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 3c0t h TRP 72 N 4.09 0.65 -0.08 -0.32 5.08 -1.92 -3.15 115.95 120.31 3c0t h TRP 72 Ca 0.13 -0.16 0.02 0.00 1.08 0.00 0.00 58.89 59.96 3c0t h TRP 72 Cb 0.78 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 26.79 3c0t h TRP 72 CO 0.53 0.81 0.09 0.66 -1.28 0.00 0.00 178.44 179.24 3c0t h SER 73 N 0.49 0.00 0.97 0.11 4.64 -1.91 -0.97 113.55 116.88 3c0t h SER 73 Ca 0.06 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3c0t h SER 73 Cb 0.77 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 3c0t h SER 73 CO 0.06 0.00 -1.06 0.11 -0.87 0.00 0.00 176.83 175.07 3c0t h LYS 74 N 0.00 0.00 -1.00 4.77 1.57 -1.76 -3.34 116.57 116.81 3c0t h LYS 74 Ca 0.04 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.28 3c0t h LYS 74 Cb 0.21 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.21 3c0t h LYS 74 CO -0.00 0.10 0.68 0.09 -0.57 0.00 0.00 179.45 179.76 3c0t n ASN 75 N -2.78 4.18 -4.30 0.86 4.13 -0.39 -4.54 115.26 112.42 3c0t n ASN 75 Ca -0.03 -3.63 -0.16 0.00 1.68 0.00 0.00 54.58 52.45 3c0t n ASN 75 Cb 0.64 -0.85 -0.10 0.00 -1.54 0.00 0.00 39.78 37.93 3c0t n ASN 75 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3c0t s THR 76 N -3.46 1.14 -0.17 3.41 2.01 -1.09 -5.01 115.64 112.46 3c0t s THR 76 Ca 0.58 -2.06 -0.07 0.00 0.31 0.00 0.00 61.69 60.45 3c0t s THR 76 Cb 0.48 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 3c0t s THR 76 CO 0.10 -0.52 0.08 -1.58 -0.69 0.00 0.00 174.62 172.01 3c0t s GLN 77 N -3.80 3.87 -0.06 4.92 0.74 -1.26 -4.77 119.66 119.30 3c0t s GLN 77 Ca 0.23 -0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.36 3c0t s GLN 77 Cb 0.04 -3.21 -0.03 0.00 1.10 0.00 0.00 33.01 30.91 3c0t s GLN 77 CO 0.05 0.38 -0.11 -1.58 -0.55 0.00 0.00 175.29 173.48 3c0t s TRP 78 N 0.09 2.80 -0.12 1.67 0.52 -0.82 -4.49 118.94 118.58 3c0t s TRP 78 Ca 0.06 -0.11 -0.10 0.00 0.02 0.00 0.00 56.10 55.98 3c0t s TRP 78 Cb -0.12 -1.67 -0.05 0.00 -1.15 0.00 0.00 33.47 30.48 3c0t s TRP 78 CO 0.00 0.23 0.21 -1.12 0.02 0.00 0.00 176.95 176.29 3c0t s SER 79 N -0.71 6.44 -0.19 2.95 0.01 0.14 -0.18 113.70 122.15 3c0t s SER 79 Ca 0.11 0.52 -0.03 0.00 1.31 0.00 0.00 55.95 57.86 3c0t s SER 79 Cb -0.11 -2.12 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 3c0t s SER 79 CO 0.01 0.31 -0.07 -0.32 0.41 0.00 0.00 173.24 173.58 3c0t s MET 80 N -0.59 3.38 0.13 12.44 1.75 0.21 -0.37 119.30 136.26 3c0t s MET 80 Ca 0.15 -0.64 0.10 0.00 -1.25 0.00 0.00 55.69 54.05 3c0t s MET 80 Cb -0.13 -2.89 -0.04 0.00 2.84 0.00 0.00 34.83 34.61 3c0t s MET 80 CO 0.05 -0.07 -0.20 0.71 -0.65 0.00 0.00 175.02 174.86 3c0t s TYR 81 N 1.12 2.47 -0.23 4.11 1.51 0.95 -1.79 117.35 125.48 3c0t s TYR 81 Ca 0.01 -0.29 -0.00 0.00 -1.01 0.00 0.00 57.07 55.77 3c0t s TYR 81 Cb -0.15 -1.30 0.06 0.00 -0.11 0.00 0.00 41.96 40.47 3c0t s TYR 81 CO -0.01 0.40 -0.02 -0.51 -1.11 0.00 0.00 175.55 174.29 3c0t s LEU 82 N -2.23 2.26 -0.21 -1.29 1.43 -0.47 -1.20 118.68 116.97 3c0t s LEU 82 Ca 0.18 -1.13 -0.04 0.00 -1.03 0.00 0.00 54.13 52.11 3c0t s LEU 82 Cb -0.10 -1.03 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 3c0t s LEU 82 CO 0.10 -0.26 -0.03 -1.61 0.23 0.00 0.00 176.35 174.78 3c0t s GLU 83 N 1.51 3.46 0.85 1.70 2.02 -1.26 -1.54 118.70 125.44 3c0t s GLU 83 Ca -0.04 -0.59 -0.09 0.00 0.02 0.00 0.00 54.97 54.28 3c0t s GLU 83 Cb -0.18 -3.04 0.16 0.00 0.10 0.00 0.00 34.13 31.17 3c0t s GLU 83 CO -0.07 -0.13 1.17 0.20 0.02 0.00 0.00 175.26 176.44 3c0t s GLY 84 N 1.33 1.77 0.37 -1.39 0.00 -0.44 -4.20 107.32 104.76 3c0t s GLY 84 Ca 0.04 -1.44 -0.24 0.00 0.00 0.00 0.00 44.72 43.08 3c0t s GLY 84 CO -0.01 -0.77 0.97 -1.31 0.00 0.00 0.00 173.10 171.98 3c0t s ASN 85 N -4.82 7.12 0.70 1.64 0.02 -1.26 -4.57 114.94 113.77 3c0t s ASN 85 Ca 0.70 1.85 -0.13 0.00 -1.02 0.00 0.00 52.86 54.26 3c0t s ASN 85 Cb -0.05 -2.57 0.02 0.00 0.02 0.00 0.00 41.25 38.68 3c0t s ASN 85 CO 0.49 -0.23 1.10 -0.94 0.02 0.00 0.00 177.10 177.54 3c0t s SER 86 N -1.74 4.86 0.30 -1.22 1.04 -0.47 -4.42 113.70 112.04 3c0t s SER 86 Ca 0.55 1.94 -0.29 0.00 0.48 0.00 0.00 55.95 58.63 3c0t s SER 86 Cb -0.17 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.31 3c0t s SER 86 CO 0.22 -1.80 1.11 -1.61 0.98 0.00 0.00 173.24 172.14 3c0t s GLU 87 N -4.40 4.54 0.80 4.02 2.02 0.97 -4.89 118.70 121.75 3c0t s GLU 87 Ca 0.65 1.81 -0.07 0.00 0.02 0.00 0.00 54.97 57.38 3c0t s GLU 87 Cb -0.19 -3.09 0.14 0.00 0.10 0.00 0.00 34.13 31.09 3c0t s GLU 87 CO 0.47 0.12 1.11 -1.25 0.02 0.00 0.00 175.26 175.73 3c0t s PRO 88 N -1.63 1.44 -1.97 0.39 0.04 -1.26 -4.34 135.00 127.67 3c0t s PRO 88 Ca 0.47 -0.69 0.00 0.00 0.04 0.00 0.00 61.00 60.82 3c0t s PRO 88 Cb -0.32 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.09 3c0t s PRO 88 CO 0.41 -1.73 0.00 1.63 0.04 0.00 0.00 177.00 177.35 3c0t n LYS 89 N -3.17 -1.56 -0.22 4.56 4.01 -1.26 -4.84 118.16 115.68 3c0t n LYS 89 Ca 0.14 1.11 0.09 0.00 -0.51 0.00 0.00 58.31 59.14 3c0t n LYS 89 Cb 0.60 -5.64 0.19 0.00 -0.51 0.00 0.00 35.03 29.67 3c0t n LYS 89 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3c0t n ARG 90 N -2.73 1.96 -1.70 1.97 1.74 -1.26 -5.04 116.66 111.60 3c0t n ARG 90 Ca -0.23 -2.67 -0.38 0.00 -0.77 0.00 0.00 57.85 53.81 3c0t n ARG 90 Cb 0.69 -1.63 0.06 0.00 -1.02 0.00 0.00 32.46 30.55 3c0t n ARG 90 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3c0t n GLU 91 N -1.05 1.24 -1.12 5.56 4.07 -1.26 -1.46 120.64 126.61 3c0t n GLU 91 Ca 0.18 0.47 -0.04 0.00 -0.06 0.00 0.00 57.16 57.71 3c0t n GLU 91 Cb 0.73 -2.44 -0.02 0.00 -0.06 0.00 0.00 31.44 29.66 3c0t n GLU 91 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3c0t n ASP 92 N -1.27 -4.74 -4.19 4.31 10.43 -1.26 -4.95 116.55 114.87 3c0t n ASP 92 Ca 0.14 0.11 -0.12 0.00 2.57 0.00 0.00 54.79 57.48 3c0t n ASP 92 Cb 0.47 -2.62 -0.10 0.00 1.84 0.00 0.00 41.12 40.71 3c0t n ASP 92 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3c0t s LYS 93 N -1.84 1.06 0.62 -1.24 2.20 -0.53 -5.08 119.74 114.93 3c0t s LYS 93 Ca 0.00 -1.52 -0.17 0.00 -0.36 0.00 0.00 55.97 53.92 3c0t s LYS 93 Cb 0.00 0.08 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 3c0t s LYS 93 CO 0.00 -0.25 1.13 0.00 -0.36 0.00 0.00 175.35 175.86 3c0t s GLY 95 N -2.21 1.93 -0.01 0.00 0.00 -0.13 -4.84 107.32 102.05 3c0t s GLY 95 Ca 0.70 0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.53 3c0t s GLY 95 CO 0.36 0.38 0.01 -0.42 0.00 0.00 0.00 173.10 173.43 3c0t s ILE 96 N -2.81 0.03 -0.04 0.90 1.01 -1.26 -0.91 121.20 118.12 3c0t s ILE 96 Ca 0.58 0.10 -0.14 0.00 0.00 0.00 0.00 60.65 61.18 3c0t s ILE 96 Cb -0.11 -0.10 0.03 0.00 0.01 0.00 0.00 42.46 42.29 3c0t s ILE 96 CO 0.40 0.07 0.33 0.00 0.00 0.00 0.00 174.94 175.73 3c0t s ARG 97 N 0.65 0.61 0.28 2.79 1.70 -0.61 -0.02 118.95 124.35 3c0t s ARG 97 Ca -0.06 -0.01 -0.29 0.00 -0.47 0.00 0.00 55.73 54.90 3c0t s ARG 97 Cb -0.08 0.28 -0.10 0.00 -0.57 0.00 0.00 34.95 34.48 3c0t s ARG 97 CO -0.02 -0.15 1.15 -2.14 -1.08 0.00 0.00 175.30 173.06 3c0t s PRO 98 N -0.94 4.58 -0.09 3.89 0.02 -1.26 -0.84 135.00 140.36 3c0t s PRO 98 Ca -0.10 1.89 -0.03 0.00 0.02 0.00 0.00 61.00 62.77 3c0t s PRO 98 Cb -0.04 -3.17 0.05 0.00 0.02 0.00 0.00 34.50 31.35 3c0t s PRO 98 CO 0.03 0.12 0.17 0.08 -0.33 0.00 0.00 177.00 177.07 3c0t s VAL 99 N -1.09 -0.23 -0.05 3.83 1.01 0.11 -1.33 120.40 122.65 3c0t s VAL 99 Ca 0.46 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.81 3c0t s VAL 99 Cb -0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 3c0t s VAL 99 CO 0.43 0.13 -0.23 0.20 0.00 0.00 0.00 175.10 175.63 3c0t s ASN 100 N 2.08 3.28 0.06 3.32 0.01 -0.59 -2.98 114.94 120.12 3c0t s ASN 100 Ca 0.00 -0.43 0.04 0.00 -0.71 0.00 0.00 52.86 51.76 3c0t s ASN 100 Cb -0.12 -0.73 -0.03 0.00 0.41 0.00 0.00 41.25 40.79 3c0t s ASN 100 CO -0.06 0.28 -0.11 -0.60 -1.51 0.00 0.00 177.10 175.10 3c0t s ARG 101 N -0.37 0.69 -0.22 -0.60 3.52 -1.26 -1.37 118.95 119.34 3c0t s ARG 101 Ca 0.03 -0.87 -0.15 0.00 -0.13 0.00 0.00 55.73 54.61 3c0t s ARG 101 Cb -0.12 -0.57 0.06 0.00 -1.56 0.00 0.00 34.95 32.76 3c0t s ARG 101 CO 0.02 0.12 0.56 0.00 -0.81 0.00 0.00 175.30 175.18 3c0t s ALA 102 N -1.37 -1.45 -0.19 6.12 0.00 -0.74 -4.98 121.76 119.15 3c0t s ALA 102 Ca -0.05 1.86 -0.12 0.00 0.00 0.00 0.00 51.96 53.64 3c0t s ALA 102 Cb -0.10 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 3c0t s ALA 102 CO 0.01 -0.31 0.23 0.15 0.00 0.00 0.00 175.76 175.84 3c0t s LYS 103 N 1.11 4.19 0.04 0.00 1.02 -1.26 0.66 119.74 125.49 3c0t s LYS 103 Ca -0.07 -0.07 0.05 0.00 0.02 0.00 0.00 55.97 55.90 3c0t s LYS 103 Cb -0.06 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 3c0t s LYS 103 CO -0.11 0.19 -0.14 -0.48 -0.92 0.00 0.00 175.35 173.89 3c0t s LEU 104 N 0.66 2.16 0.00 3.17 2.34 0.75 -4.97 118.68 122.78 3c0t s LEU 104 Ca 0.12 -0.44 0.07 0.00 0.06 0.00 0.00 54.13 53.94 3c0t s LEU 104 Cb -0.13 -0.63 -0.03 0.00 -0.56 0.00 0.00 46.19 44.85 3c0t s LEU 104 CO 0.03 0.05 0.25 0.35 -1.06 0.00 0.00 176.35 175.97 3c0t n THR 105 N 1.96 0.00 -0.12 5.48 -2.24 -1.26 -1.95 114.28 116.15 3c0t n THR 105 Ca -0.18 -2.27 0.00 0.00 -2.27 0.00 0.00 64.05 59.33 3c0t n THR 105 Cb 0.55 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 3c0t n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3c0t n ASN 106 N -1.76 -0.16 0.00 3.42 4.13 -1.26 -4.92 115.26 114.71 3c0t n ASN 106 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.32 3c0t n ASN 106 Cb 0.56 -0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 3c0t n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3c0t n GLY 107 N 0.51 1.74 2.56 7.41 0.00 -1.26 -4.45 105.19 111.70 3c0t n GLY 107 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3c0t n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3c0t s SER 108 N -4.00 3.43 0.25 1.61 0.15 -1.26 -4.43 113.70 109.45 3c0t s SER 108 Ca 0.00 -1.82 -0.03 0.00 0.70 0.00 0.00 55.95 54.80 3c0t s SER 108 Cb 0.00 -0.53 0.46 0.00 -1.71 0.00 0.00 66.02 64.24 3c0t s SER 108 CO 0.00 -0.37 1.77 0.58 1.20 0.00 0.00 173.24 176.42 3c0t h VAL 109 N 5.80 0.77 -0.79 4.45 2.07 -1.86 -2.42 116.25 124.25 3c0t h VAL 109 Ca -0.08 -0.21 0.15 0.00 0.82 0.00 0.00 66.70 67.39 3c0t h VAL 109 Cb 0.99 0.10 -0.15 0.00 -1.52 0.00 0.00 31.29 30.71 3c0t h VAL 109 CO 0.39 0.11 -0.23 0.74 0.02 0.00 0.00 177.57 178.59 3c0t h THR 110 N 0.61 0.17 -0.05 2.57 2.02 -1.94 0.97 112.91 117.26 3c0t h THR 110 Ca 0.42 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.49 3c0t h THR 110 Cb 0.55 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3c0t h THR 110 CO -0.33 0.00 -0.48 -0.33 0.37 0.00 0.00 175.52 174.75 3c0t h GLU 111 N -0.02 0.14 -0.62 6.66 5.08 -1.88 -2.79 114.58 121.14 3c0t h GLU 111 Ca 0.37 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.58 3c0t h GLU 111 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3c0t h GLU 111 CO -0.83 0.59 0.09 0.35 -1.00 0.00 0.00 179.01 178.22 3c0t h PHE 112 N 0.11 1.10 -0.00 4.33 3.57 -0.73 -1.36 116.94 123.95 3c0t h PHE 112 Ca 0.00 -0.16 -0.10 0.00 3.53 0.00 0.00 57.97 61.25 3c0t h PHE 112 Cb 0.89 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3c0t h PHE 112 CO 0.01 0.94 -0.46 -0.39 -2.23 0.00 0.00 178.31 176.18 3c0t h VAL 113 N 0.94 1.33 -0.29 1.41 -1.51 -1.11 -2.18 116.25 114.84 3c0t h VAL 113 Ca 0.19 -1.59 -0.13 0.00 -1.23 0.00 0.00 66.70 63.93 3c0t h VAL 113 Cb 0.44 1.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 3c0t h VAL 113 CO 0.01 0.46 -0.36 -0.33 -1.23 0.00 0.00 177.57 176.12 3c0t h GLU 114 N 0.01 0.66 -0.29 5.19 5.08 -1.20 -2.52 114.58 121.51 3c0t h GLU 114 Ca -0.00 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 3c0t h GLU 114 Cb 0.82 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3c0t h GLU 114 CO 0.06 0.92 0.05 0.87 -1.00 0.00 0.00 179.01 179.91 3c0t h LYS 115 N 0.55 0.42 0.00 2.33 6.56 -0.68 -0.68 116.57 125.07 3c0t h LYS 115 Ca 0.06 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3c0t h LYS 115 Cb 0.87 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.46 3c0t h LYS 115 CO 0.08 0.41 0.00 -1.33 -2.06 0.00 0.00 179.45 176.55 3c0t n MET 116 N -4.35 0.21 0.00 3.15 2.81 -0.87 -4.83 117.12 113.23 3c0t n MET 116 Ca 0.01 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 3c0t n MET 116 Cb 0.18 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 3c0t n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3c0t n GLY 117 N 0.07 1.56 3.36 3.03 0.00 -0.27 -5.02 105.19 107.92 3c0t n GLY 117 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3c0t n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3c0t s TYR 118 N -2.00 2.01 0.08 1.61 1.51 -1.08 -0.19 117.35 119.30 3c0t s TYR 118 Ca 0.00 -0.42 0.06 0.00 -1.01 0.00 0.00 57.07 55.71 3c0t s TYR 118 Cb 0.00 -1.02 -0.03 0.00 -0.11 0.00 0.00 41.96 40.80 3c0t s TYR 118 CO 0.00 0.37 -0.17 -1.83 -1.11 0.00 0.00 175.55 172.81 3c0t s GLU 119 N -2.55 0.96 0.16 -0.62 -1.05 0.30 -4.15 118.70 111.76 3c0t s GLU 119 Ca 0.16 -1.03 -0.33 0.00 -0.15 0.00 0.00 54.97 53.61 3c0t s GLU 119 Cb -0.08 -1.07 -0.13 0.00 -0.44 0.00 0.00 34.13 32.41 3c0t s GLU 119 CO 0.07 0.25 1.65 0.34 0.95 0.00 0.00 175.26 178.52 3c0t n PHE 120 N 1.23 2.45 -0.01 4.83 7.35 -1.26 -1.18 117.46 130.86 3c0t n PHE 120 Ca -0.20 0.16 -0.01 0.00 -0.76 0.00 0.00 57.45 56.64 3c0t n PHE 120 Cb 0.54 -2.60 -0.00 0.00 0.35 0.00 0.00 39.48 37.77 3c0t n PHE 120 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3c0t n SER 121 N 3.83 0.24 -3.85 -2.13 2.88 0.13 -4.84 113.62 109.88 3c0t n SER 121 Ca 0.17 0.04 -0.09 0.00 -1.33 0.00 0.00 58.87 57.66 3c0t n SER 121 Cb 0.31 -0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 63.29 3c0t n SER 121 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 3c0t s HIS 122 N -1.24 0.18 0.05 0.66 -3.43 -1.18 -5.01 115.29 105.32 3c0t s HIS 122 Ca -0.03 -0.59 -0.10 0.00 -0.80 0.00 0.00 55.06 53.54 3c0t s HIS 122 Cb 0.00 0.41 0.01 0.00 -1.43 0.00 0.00 32.58 31.57 3c0t s HIS 122 CO 0.05 -1.13 0.22 -1.83 -2.00 0.00 0.00 174.74 170.05 3c0t s GLU 123 N -3.84 0.76 0.30 -0.38 -1.05 -1.26 -0.09 118.70 113.15 3c0t s GLU 123 Ca 0.18 -0.69 -0.20 0.00 -0.15 0.00 0.00 54.97 54.12 3c0t s GLU 123 Cb -0.03 0.32 0.04 0.00 -0.44 0.00 0.00 34.13 34.01 3c0t s GLU 123 CO 0.09 -0.23 0.77 1.52 0.95 0.00 0.00 175.26 178.36 3c0t s TYR 124 N -2.90 -0.07 -0.01 4.83 1.13 -0.18 -4.87 117.35 115.27 3c0t s TYR 124 Ca -0.03 -0.44 0.07 0.00 -1.41 0.00 0.00 57.07 55.27 3c0t s TYR 124 Cb 0.00 0.75 -0.02 0.00 -1.10 0.00 0.00 41.96 41.59 3c0t s TYR 124 CO -0.06 -1.30 -0.24 0.42 -2.51 0.00 0.00 175.55 171.86 3c0t s ILE 125 N -3.28 1.88 -0.18 -3.49 1.01 -0.32 -0.58 121.20 116.24 3c0t s ILE 125 Ca 0.13 -1.03 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 3c0t s ILE 125 Cb -0.05 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 3c0t s ILE 125 CO 0.08 0.52 -0.06 -0.63 0.00 0.00 0.00 174.94 174.85 3c0t s ILE 126 N -0.57 3.49 -0.11 2.92 -1.09 -0.11 0.72 121.20 126.45 3c0t s ILE 126 Ca 0.09 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.07 3c0t s ILE 126 Cb -0.09 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 38.25 3c0t s ILE 126 CO -0.01 0.47 -0.23 -1.58 -1.23 0.00 0.00 174.94 172.36 3c0t s GLN 127 N 0.86 3.03 0.00 2.79 0.74 -0.58 -1.29 119.66 125.22 3c0t s GLN 127 Ca -0.01 -0.87 0.00 0.00 0.05 0.00 0.00 55.36 54.53 3c0t s GLN 127 Cb -0.15 -2.35 0.00 0.00 1.10 0.00 0.00 33.01 31.62 3c0t s GLN 127 CO 0.01 0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.27 3c0t n GLY 128 N 3.73 -1.22 3.33 2.59 0.00 -0.47 0.10 105.19 113.24 3c0t n GLY 128 Ca -0.19 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 3c0t n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3c0t s LEU 129 N 0.00 2.31 -0.06 0.99 1.43 -0.15 0.06 118.68 123.27 3c0t s LEU 129 Ca 0.00 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.41 3c0t s LEU 129 Cb 0.00 -1.01 0.01 0.00 0.03 0.00 0.00 46.19 45.22 3c0t s LEU 129 CO 0.00 0.10 -0.13 -0.70 0.23 0.00 0.00 176.35 175.85 3c0t s GLU 130 N -2.00 1.72 0.45 1.70 2.12 -0.11 -1.31 118.70 121.27 3c0t s GLU 130 Ca 0.10 -0.46 0.05 0.00 0.36 0.00 0.00 54.97 55.02 3c0t s GLU 130 Cb -0.10 -1.43 -0.05 0.00 0.26 0.00 0.00 34.13 32.81 3c0t s GLU 130 CO 0.05 0.08 0.03 0.71 -0.54 0.00 0.00 175.26 175.59 3c0t s TYR 131 N 0.51 2.28 -0.03 5.30 1.51 0.47 -0.99 117.35 126.40 3c0t s TYR 131 Ca -0.12 -0.77 -0.08 0.00 -1.01 0.00 0.00 57.07 55.09 3c0t s TYR 131 Cb -0.15 -1.74 0.01 0.00 -0.11 0.00 0.00 41.96 39.97 3c0t s TYR 131 CO 0.03 0.32 0.19 -0.06 -1.11 0.00 0.00 175.55 174.93 3c0t s PHE 132 N -2.76 -0.08 -0.28 2.71 0.40 -0.10 -1.79 117.98 116.09 3c0t s PHE 132 Ca 0.25 0.15 -0.28 0.00 -0.60 0.00 0.00 56.93 56.46 3c0t s PHE 132 Cb 0.06 0.02 0.18 0.00 0.51 0.00 0.00 43.02 43.79 3c0t s PHE 132 CO 0.13 -0.24 1.33 0.12 0.70 0.00 0.00 175.22 177.26 3c0t s PHE 133 N -0.88 -0.10 -1.65 0.36 5.36 -0.83 -1.53 117.98 118.71 3c0t s PHE 133 Ca -0.10 0.21 -0.17 0.00 -0.96 0.00 0.00 56.93 55.90 3c0t s PHE 133 Cb -0.05 0.48 0.14 0.00 -0.34 0.00 0.00 43.02 43.25 3c0t s PHE 133 CO 0.02 -0.08 0.82 1.19 -1.46 0.00 0.00 175.22 175.71 3c0t n PHE 134 N 0.97 -1.87 -2.08 10.12 0.99 -1.26 -0.31 117.46 124.04 3c0t n PHE 134 Ca -0.05 0.81 -0.21 0.00 -0.00 0.00 0.00 57.45 58.00 3c0t n PHE 134 Cb 0.58 -3.14 -0.04 0.00 -1.00 0.00 0.00 39.48 35.87 3c0t n PHE 134 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 3c0t n ASP 135 N -2.67 -5.74 -4.38 4.37 9.92 -1.26 -4.81 116.55 111.99 3c0t n ASP 135 Ca 0.07 0.19 -0.19 0.00 -0.53 0.00 0.00 54.79 54.33 3c0t n ASP 135 Cb 0.50 -4.87 -0.10 0.00 -0.64 0.00 0.00 41.12 36.00 3c0t n ASP 135 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3c0t s THR 136 N -2.93 1.58 -0.07 -3.53 -4.23 0.58 -4.86 115.64 102.19 3c0t s THR 136 Ca 0.00 -2.14 0.03 0.00 -1.18 0.00 0.00 61.69 58.39 3c0t s THR 136 Cb 0.00 -2.25 -0.02 0.00 1.34 0.00 0.00 72.50 71.57 3c0t s THR 136 CO 0.00 -0.44 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.60 3c0t s THR 137 N -3.06 2.97 -0.18 3.99 2.01 0.15 -1.96 115.64 119.55 3c0t s THR 137 Ca 0.26 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.53 3c0t s THR 137 Cb 0.02 -2.18 0.04 0.00 0.01 0.00 0.00 72.50 70.39 3c0t s THR 137 CO 0.09 0.57 -0.10 0.54 -0.69 0.00 0.00 174.62 175.02 3c0t s VAL 138 N -0.37 1.56 -0.12 3.82 0.11 -0.74 -0.88 120.40 123.78 3c0t s VAL 138 Ca 0.04 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.20 3c0t s VAL 138 Cb -0.12 -1.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.09 3c0t s VAL 138 CO 0.02 0.23 -0.09 -0.60 -3.33 0.00 0.00 175.10 171.33 3c0t s ARG 139 N 1.44 3.25 -0.20 1.54 3.52 0.19 -0.40 118.95 128.29 3c0t s ARG 139 Ca 0.00 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 3c0t s ARG 139 Cb -0.15 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.58 3c0t s ARG 139 CO -0.09 0.36 -0.16 -1.50 -0.81 0.00 0.00 175.30 173.10 3c0t s ILE 140 N 0.00 2.35 0.27 4.11 2.07 -0.43 0.06 121.20 129.63 3c0t s ILE 140 Ca -0.02 -0.93 -0.04 0.00 -1.41 0.00 0.00 60.65 58.24 3c0t s ILE 140 Cb -0.14 -2.05 -0.02 0.00 0.13 0.00 0.00 42.46 40.38 3c0t s ILE 140 CO 0.03 0.44 0.35 -0.72 -1.91 0.00 0.00 174.94 173.14 3c0t s TYR 141 N 1.31 0.95 -0.00 3.50 1.13 0.52 -0.97 117.35 123.77 3c0t s TYR 141 Ca 0.04 -1.18 0.03 0.00 -1.41 0.00 0.00 57.07 54.55 3c0t s TYR 141 Cb -0.14 -0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 40.50 3c0t s TYR 141 CO -0.10 -0.91 -0.11 -1.14 -2.51 0.00 0.00 175.55 170.78 3c0t s GLN 142 N -3.74 0.87 -0.24 -3.49 0.74 0.11 0.35 119.66 114.27 3c0t s GLN 142 Ca 0.32 -0.43 -0.10 0.00 0.05 0.00 0.00 55.36 55.20 3c0t s GLN 142 Cb 0.02 -0.84 -0.05 0.00 1.10 0.00 0.00 33.01 33.24 3c0t s GLN 142 CO 0.15 0.23 0.14 0.95 -0.55 0.00 0.00 175.29 176.21 3c0t s THR 143 N -0.33 5.11 0.45 -0.34 -4.23 -1.26 -1.52 115.64 113.52 3c0t s THR 143 Ca 0.04 0.10 0.07 0.00 -1.18 0.00 0.00 61.69 60.71 3c0t s THR 143 Cb -0.05 -3.39 -0.01 0.00 1.34 0.00 0.00 72.50 70.40 3c0t s THR 143 CO -0.00 0.34 0.37 -0.76 -0.54 0.00 0.00 174.62 174.02 3c0t s LEU 144 N 1.23 3.17 -0.09 4.79 1.02 0.22 -4.07 118.68 124.95 3c0t s LEU 144 Ca 0.07 -0.92 0.02 0.00 0.02 0.00 0.00 54.13 53.32 3c0t s LEU 144 Cb -0.14 -1.73 0.01 0.00 0.02 0.00 0.00 46.19 44.34 3c0t s LEU 144 CO 0.05 -0.77 -0.16 -0.63 0.02 0.00 0.00 176.35 174.86 3c0t s ILE 145 N -2.57 1.49 0.60 -0.59 -1.09 0.14 -1.17 121.20 118.01 3c0t s ILE 145 Ca 0.44 -0.67 -0.20 0.00 -2.23 0.00 0.00 60.65 57.99 3c0t s ILE 145 Cb -0.02 -1.34 -0.03 0.00 -1.58 0.00 0.00 42.46 39.49 3c0t s ILE 145 CO 0.26 0.44 1.31 -2.65 -1.23 0.00 0.00 174.94 173.07 3c0t n PRO 146 N 3.89 1.38 0.01 2.79 -0.02 -1.26 -0.57 135.00 141.22 3c0t n PRO 146 Ca -0.20 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 61.93 3c0t n PRO 146 Cb 0.52 -2.54 0.57 0.00 -0.02 0.00 0.00 33.50 32.03 3c0t n PRO 146 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3c0t n SER 147 N -1.42 0.05 -3.70 2.55 3.41 -1.20 -4.69 113.62 108.62 3c0t n SER 147 Ca 0.13 0.51 -0.11 0.00 -0.26 0.00 0.00 58.87 59.14 3c0t n SER 147 Cb 0.46 -0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 63.79 3c0t n SER 147 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3c0t s GLN 148 N -3.01 0.43 0.14 4.33 2.00 -1.26 -5.10 119.66 117.19 3c0t s GLN 148 Ca 0.13 0.74 -0.34 0.00 -2.00 0.00 0.00 55.36 53.88 3c0t s GLN 148 Cb 0.17 0.06 -0.15 0.00 0.80 0.00 0.00 33.01 33.89 3c0t s GLN 148 CO 0.50 -0.13 1.37 0.94 -0.50 0.00 0.00 175.29 177.47 3c0t n GLN 149 N 3.83 1.52 -2.15 1.67 7.27 -1.26 -1.19 117.38 127.07 3c0t n GLN 149 Ca -0.20 0.55 -0.20 0.00 0.07 0.00 0.00 57.00 57.21 3c0t n GLN 149 Cb 0.56 -2.19 -0.03 0.00 2.41 0.00 0.00 30.24 30.99 3c0t n GLN 149 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 3c0t n ARG 150 N 2.51 -1.57 -4.43 3.69 3.00 -1.26 -4.99 116.66 113.62 3c0t n ARG 150 Ca 0.16 1.06 -0.34 0.00 -0.00 0.00 0.00 57.85 58.73 3c0t n ARG 150 Cb 0.24 -5.61 -0.11 0.00 0.00 0.00 0.00 32.46 26.99 3c0t n ARG 150 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3c0t s SER 151 N -2.29 4.95 0.00 6.15 0.15 -0.33 -4.96 113.70 117.38 3c0t s SER 151 Ca 0.00 0.01 0.16 0.00 0.70 0.00 0.00 55.95 56.82 3c0t s SER 151 Cb 0.00 -1.52 0.43 0.00 -1.71 0.00 0.00 66.02 63.21 3c0t s SER 151 CO 0.00 0.29 1.35 2.30 1.20 0.00 0.00 173.24 178.38 3c0t n ILE 152 N 2.70 0.89 -2.94 6.45 -5.35 -1.26 -4.74 119.36 115.11 3c0t n ILE 152 Ca -0.18 -0.95 -0.41 0.00 -0.27 0.00 0.00 62.75 60.94 3c0t n ILE 152 Cb 0.53 0.59 -0.05 0.00 -1.74 0.00 0.00 39.64 38.98 3c0t n ILE 152 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3c0t s LYS 153 N -1.04 4.24 0.98 6.28 1.02 -1.26 -4.80 119.74 125.15 3c0t s LYS 153 Ca 0.33 0.90 -0.12 0.00 0.02 0.00 0.00 55.97 57.10 3c0t s LYS 153 Cb 0.18 -3.60 0.11 0.00 -0.52 0.00 0.00 37.83 34.00 3c0t s LYS 153 CO 0.24 -0.38 0.72 -2.30 -0.92 0.00 0.00 175.35 172.71 3c0t n PRO 154 N 5.46 -0.72 -2.21 -1.68 -0.02 -1.26 -4.67 135.00 129.91 3c0t n PRO 154 Ca 0.03 -0.16 -0.28 0.00 -2.02 0.00 0.00 63.50 61.07 3c0t n PRO 154 Cb 0.49 -2.08 0.04 0.00 -0.02 0.00 0.00 33.50 31.93 3c0t n PRO 154 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3c0t s PRO 155 N -4.09 2.90 -0.07 0.52 0.04 -1.26 -5.01 135.00 128.04 3c0t s PRO 155 Ca 0.62 0.17 0.03 0.00 0.04 0.00 0.00 61.00 61.85 3c0t s PRO 155 Cb -0.21 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 3c0t s PRO 155 CO 0.63 -0.82 -0.15 -0.06 0.04 0.00 0.00 177.00 176.65 3c0t s PHE 156 N -3.13 2.71 -0.05 0.56 0.08 -1.26 -3.26 117.98 113.63 3c0t s PHE 156 Ca 0.55 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.30 3c0t s PHE 156 Cb -0.11 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 3c0t s PHE 156 CO 0.48 0.07 -0.02 -1.01 -0.10 0.00 0.00 175.22 174.64 3c0t s HIS 157 N -0.43 3.07 0.76 0.36 3.76 0.27 -4.83 115.29 118.24 3c0t s HIS 157 Ca 0.05 0.11 -0.11 0.00 -0.15 0.00 0.00 55.06 54.96 3c0t s HIS 157 Cb -0.12 -1.72 0.05 0.00 1.11 0.00 0.00 32.58 31.90 3c0t s HIS 157 CO 0.02 0.43 1.08 -1.25 -0.85 0.00 0.00 174.74 174.17 3c0t s PRO 158 N -1.15 2.41 0.30 8.40 0.04 -1.26 0.29 135.00 144.03 3c0t s PRO 158 Ca 0.16 0.97 0.26 0.00 0.04 0.00 0.00 61.00 62.42 3c0t s PRO 158 Cb -0.11 -1.93 0.79 0.00 0.04 0.00 0.00 34.50 33.29 3c0t s PRO 158 CO 0.05 -1.48 1.75 0.52 0.04 0.00 0.00 177.00 177.88 3c0t h MET 159 N -1.00 0.00 -2.71 4.56 2.86 -1.93 -3.45 114.93 113.25 3c0t h MET 159 Ca -0.45 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.09 3c0t h MET 159 Cb 1.23 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 32.69 3c0t h MET 159 CO 0.55 0.00 -0.14 1.21 1.06 0.00 0.00 176.91 179.59 3c0t s ASN 160 N -4.97 -0.35 0.43 1.22 3.84 -1.26 -5.06 114.94 108.80 3c0t s ASN 160 Ca 0.08 0.35 0.28 0.00 0.21 0.00 0.00 52.86 53.78 3c0t s ASN 160 Cb 0.10 0.45 0.95 0.00 -0.55 0.00 0.00 41.25 42.19 3c0t s ASN 160 CO 0.57 -0.46 1.81 -0.33 -2.79 0.00 0.00 177.10 175.90 3c0t h GLU 161 N 3.82 0.00 -0.86 0.43 5.08 -2.02 -3.08 114.58 117.94 3c0t h GLU 161 Ca -0.29 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.49 3c0t h GLU 161 Cb 1.17 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.02 3c0t h GLU 161 CO 0.38 0.00 -0.42 0.39 -1.00 0.00 0.00 179.01 178.36 3c0t n GLU 162 N -2.85 3.40 -2.34 2.33 -0.58 -1.26 -5.04 120.64 114.30 3c0t n GLU 162 Ca 0.02 -3.99 -0.42 0.00 -0.42 0.00 0.00 57.16 52.35 3c0t n GLU 162 Cb 0.37 -2.28 -0.03 0.00 -0.57 0.00 0.00 31.44 28.93 3c0t n GLU 162 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3c0t s GLN 163 N -3.65 4.30 0.69 3.49 0.74 -1.17 -4.91 119.66 119.15 3c0t s GLN 163 Ca 0.54 1.81 -0.11 0.00 0.05 0.00 0.00 55.36 57.64 3c0t s GLN 163 Cb 0.43 -3.60 0.00 0.00 1.10 0.00 0.00 33.01 30.94 3c0t s GLN 163 CO 0.01 -0.54 1.08 -1.25 -0.55 0.00 0.00 175.29 174.04 3c0t s PRO 164 N 2.50 3.00 0.19 1.67 0.04 -1.26 -4.44 135.00 136.69 3c0t s PRO 164 Ca 0.60 0.54 -0.14 0.00 0.04 0.00 0.00 61.00 62.04 3c0t s PRO 164 Cb -0.27 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.16 3c0t s PRO 164 CO 0.23 -0.95 0.58 -1.58 0.04 0.00 0.00 177.00 175.32 3c0t s TRP 165 N -3.30 3.55 -0.16 0.56 0.52 0.11 -4.85 118.94 115.36 3c0t s TRP 165 Ca 0.58 1.06 -0.08 0.00 0.02 0.00 0.00 56.10 57.67 3c0t s TRP 165 Cb -0.11 -2.38 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 3c0t s TRP 165 CO 0.52 0.36 0.12 0.42 0.02 0.00 0.00 176.95 178.39 3c0t s ILE 166 N -1.60 5.36 -0.33 2.03 1.01 0.15 -0.10 121.20 127.72 3c0t s ILE 166 Ca 0.42 0.16 -0.08 0.00 0.00 0.00 0.00 60.65 61.15 3c0t s ILE 166 Cb -0.14 -3.39 0.02 0.00 0.01 0.00 0.00 42.46 38.96 3c0t s ILE 166 CO 0.20 0.52 0.12 -0.22 0.00 0.00 0.00 174.94 175.56 3c0t s LEU 167 N -0.24 4.24 -0.22 2.97 0.20 0.11 -0.36 118.68 125.38 3c0t s LEU 167 Ca 0.11 -0.91 0.00 0.00 0.69 0.00 0.00 54.13 54.02 3c0t s LEU 167 Cb -0.12 -1.92 0.02 0.00 -0.43 0.00 0.00 46.19 43.75 3c0t s LEU 167 CO 0.01 -0.28 -0.13 -2.28 -0.29 0.00 0.00 176.35 173.37 3c0t s HIS 168 N 1.49 2.95 -0.16 5.38 2.46 0.11 -0.29 115.29 127.23 3c0t s HIS 168 Ca 0.01 -1.64 -0.03 0.00 0.47 0.00 0.00 55.06 53.86 3c0t s HIS 168 Cb -0.18 -1.98 -0.02 0.00 -0.13 0.00 0.00 32.58 30.26 3c0t s HIS 168 CO 0.04 -0.77 -0.05 0.08 -2.47 0.00 0.00 174.74 171.57 3c0t s VAL 169 N 1.29 3.77 0.23 0.89 1.01 0.14 -0.64 120.40 127.09 3c0t s VAL 169 Ca 0.02 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 3c0t s VAL 169 Cb -0.15 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3c0t s VAL 169 CO -0.08 0.49 0.57 -0.72 0.00 0.00 0.00 175.10 175.35 3c0t s TYR 170 N 0.45 -0.00 0.01 5.22 1.13 -0.06 -0.12 117.35 123.98 3c0t s TYR 170 Ca -0.04 -0.37 -0.19 0.00 -1.41 0.00 0.00 57.07 55.05 3c0t s TYR 170 Cb -0.14 0.42 0.04 0.00 -1.10 0.00 0.00 41.96 41.18 3c0t s TYR 170 CO 0.03 -1.03 0.43 -0.08 -2.51 0.00 0.00 175.55 172.39 3c0t s THR 171 N -3.93 0.05 -0.05 -3.49 -1.32 -0.58 -0.68 115.64 105.64 3c0t s THR 171 Ca 0.13 -0.39 0.03 0.00 -1.21 0.00 0.00 61.69 60.25 3c0t s THR 171 Cb -0.02 -0.86 -0.03 0.00 -1.51 0.00 0.00 72.50 70.08 3c0t s THR 171 CO 0.03 -0.21 -0.11 -1.00 -2.21 0.00 0.00 174.62 171.12 3c0t s HIS 172 N -1.95 2.80 -0.21 9.09 3.76 -1.26 -1.46 115.29 126.06 3c0t s HIS 172 Ca -0.09 -0.08 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 3c0t s HIS 172 Cb -0.02 -1.65 0.04 0.00 1.11 0.00 0.00 32.58 32.06 3c0t s HIS 172 CO 0.01 0.26 -0.12 0.08 -0.85 0.00 0.00 174.74 174.12 3c0t s VAL 173 N -0.79 1.88 0.14 -0.90 1.01 0.30 -4.98 120.40 117.08 3c0t s VAL 173 Ca 0.12 -1.19 -0.20 0.00 0.00 0.00 0.00 61.98 60.71 3c0t s VAL 173 Cb -0.11 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.38 3c0t s VAL 173 CO 0.02 0.18 1.67 0.00 0.00 0.00 0.00 175.10 176.96 3c0t h ALA 174 N 7.90 0.06 -3.11 5.51 0.00 -1.96 -0.58 119.26 127.08 3c0t h ALA 174 Ca -0.29 0.09 -0.68 0.00 0.00 0.00 0.00 54.91 54.04 3c0t h ALA 174 Cb 1.09 0.31 -0.28 0.00 0.00 0.00 0.00 17.79 18.91 3c0t h ALA 174 CO 0.50 -0.55 -0.66 0.34 0.00 0.00 0.00 179.25 178.89 3c0t s ASP 175 N -5.13 4.92 0.57 0.00 3.68 -1.26 -4.14 116.67 115.31 3c0t s ASP 175 Ca -0.14 -0.79 0.30 0.00 2.13 0.00 0.00 52.55 54.05 3c0t s ASP 175 Cb 0.12 -1.82 1.71 0.00 -1.45 0.00 0.00 42.92 41.48 3c0t s ASP 175 CO 0.69 -0.19 2.18 0.00 0.13 0.00 0.00 175.17 177.98 3c0t h ALA 176 N 8.17 1.34 0.00 3.66 0.00 -1.97 -2.23 119.26 128.23 3c0t h ALA 176 Ca -0.31 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3c0t h ALA 176 Cb 1.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3c0t h ALA 176 CO 0.59 0.07 -0.31 1.03 0.00 0.00 0.00 179.25 180.63 3c0t h SER 177 N 0.00 0.00 -0.61 0.00 0.87 -1.97 -3.41 113.55 108.44 3c0t h SER 177 Ca -0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.19 3c0t h SER 177 Cb 0.17 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 3c0t h SER 177 CO 0.01 0.31 1.09 0.21 -0.53 0.00 0.00 176.83 177.92 3c0t s ASN 178 N -6.34 5.30 0.35 6.23 3.84 -0.84 -4.81 114.94 118.68 3c0t s ASN 178 Ca 0.01 -1.43 0.12 0.00 0.21 0.00 0.00 52.86 51.77 3c0t s ASN 178 Cb 0.10 -2.58 0.94 0.00 -0.55 0.00 0.00 41.25 39.17 3c0t s ASN 178 CO 0.67 -2.73 1.77 1.56 -2.79 0.00 0.00 177.10 175.58 3c0t h GLN 179 N 10.00 0.53 -0.32 0.43 7.50 -1.87 -0.50 115.11 130.89 3c0t h GLN 179 Ca 0.20 -0.03 -0.14 0.00 0.50 0.00 0.00 58.65 59.18 3c0t h GLN 179 Cb 0.96 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 28.36 3c0t h GLN 179 CO 1.25 0.35 -0.36 0.28 -1.50 0.00 0.00 178.83 178.86 3c0t h VAL 180 N 0.55 1.28 -0.37 -0.54 2.07 -1.97 -1.76 116.25 115.52 3c0t h VAL 180 Ca 0.59 -1.52 -0.14 0.00 0.82 0.00 0.00 66.70 66.45 3c0t h VAL 180 Cb 1.23 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 3c0t h VAL 180 CO -0.35 0.49 -0.32 0.00 0.02 0.00 0.00 177.57 177.41 3c0t h ALA 181 N 0.99 0.54 -0.75 1.67 0.00 -1.51 -1.84 119.26 118.37 3c0t h ALA 181 Ca 0.06 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3c0t h ALA 181 Cb 0.89 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3c0t h ALA 181 CO 0.08 0.59 0.23 0.52 0.00 0.00 0.00 179.25 180.67 3c0t h MET 182 N 0.68 1.16 -0.10 0.00 2.07 -1.20 -1.89 114.93 115.65 3c0t h MET 182 Ca 0.07 -0.25 -0.15 0.00 -2.07 0.00 0.00 59.70 57.30 3c0t h MET 182 Cb 0.90 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.45 3c0t h MET 182 CO 0.08 0.99 -0.58 0.00 1.07 0.00 0.00 176.91 178.47 3c0t h ALA 183 N 1.13 0.83 -0.02 6.32 0.00 -1.24 -2.35 119.26 123.93 3c0t h ALA 183 Ca 0.24 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 3c0t h ALA 183 Cb 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3c0t h ALA 183 CO -0.01 0.71 -0.55 -0.22 0.00 0.00 0.00 179.25 179.18 3c0t h LYS 184 N 0.24 0.05 -0.10 0.00 1.63 -1.12 -1.91 116.57 115.36 3c0t h LYS 184 Ca -0.00 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.61 3c0t h LYS 184 Cb 1.09 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.73 3c0t h LYS 184 CO 0.09 0.59 -0.56 0.00 -3.45 0.00 0.00 179.45 176.13 3c0t h ALA 185 N 1.41 0.20 -0.54 5.00 0.00 -1.14 -1.54 119.26 122.64 3c0t h ALA 185 Ca -0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 3c0t h ALA 185 Cb 0.99 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3c0t h ALA 185 CO 0.07 0.42 0.04 0.93 0.00 0.00 0.00 179.25 180.72 3c0t h GLU 186 N 0.16 0.90 -0.77 0.00 5.08 -1.37 -0.72 114.58 117.85 3c0t h GLU 186 Ca -0.04 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 3c0t h GLU 186 Cb 1.21 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 3c0t h GLU 186 CO 0.11 0.87 0.30 0.00 -1.00 0.00 0.00 179.01 179.29 3c0t h ALA 187 N 1.20 1.07 -0.52 3.43 0.00 -1.33 -0.54 119.26 122.57 3c0t h ALA 187 Ca 0.17 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3c0t h ALA 187 Cb 0.44 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3c0t h ALA 187 CO 0.02 0.65 -0.12 -0.91 0.00 0.00 0.00 179.25 178.88 3c0t h ASN 188 N 1.12 0.98 -0.75 0.00 2.35 -0.64 -2.11 115.58 116.53 3c0t h ASN 188 Ca 0.26 -0.33 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 3c0t h ASN 188 Cb 0.22 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3c0t h ASN 188 CO -0.02 1.10 0.32 -0.07 -1.65 0.00 0.00 177.43 177.11 3c0t h LEU 189 N 0.87 1.02 -1.01 1.61 3.38 -0.73 -1.95 115.31 118.50 3c0t h LEU 189 Ca 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3c0t h LEU 189 Cb 0.68 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3c0t h LEU 189 CO 0.05 0.90 0.52 0.74 0.09 0.00 0.00 178.44 180.74 3c0t h THR 190 N 1.07 1.25 -0.24 0.22 2.02 -0.82 0.11 112.91 116.52 3c0t h THR 190 Ca 0.25 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3c0t h THR 190 Cb 0.19 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3c0t h THR 190 CO -0.02 0.26 0.06 0.11 0.37 0.00 0.00 175.52 176.29 3c0t h LYS 191 N 1.22 0.38 -0.64 6.66 1.57 -0.97 -2.56 116.57 122.24 3c0t h LYS 191 Ca 0.32 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 3c0t h LYS 191 Cb -0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3c0t h LYS 191 CO -0.06 0.49 0.14 0.28 -0.57 0.00 0.00 179.45 179.74 3c0t h VAL 192 N 0.21 1.25 -0.07 0.50 2.07 -0.96 -1.77 116.25 117.47 3c0t h VAL 192 Ca 0.07 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.69 3c0t h VAL 192 Cb 0.28 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3c0t h VAL 192 CO 0.00 0.35 -0.08 0.50 0.02 0.00 0.00 177.57 178.36 3c0t h LYS 193 N 0.96 -0.11 0.00 1.57 3.64 -0.62 -1.02 116.57 120.99 3c0t h LYS 193 Ca 0.20 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3c0t h LYS 193 Cb 0.36 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3c0t h LYS 193 CO 0.00 -0.07 -0.47 1.79 -2.27 0.00 0.00 179.45 178.43 3c0t h THR 194 N -0.11 1.22 0.00 1.00 1.35 -1.36 0.06 112.91 115.07 3c0t h THR 194 Ca 0.06 -1.67 -0.06 0.00 -0.55 0.00 0.00 66.41 64.19 3c0t h THR 194 Cb 0.19 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 3c0t h THR 194 CO -0.14 0.46 -0.27 0.25 -0.25 0.00 0.00 175.52 175.57 3c0t h LEU 195 N 0.00 0.00 -1.50 3.87 6.46 -0.63 -3.02 115.31 120.49 3c0t h LEU 195 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3c0t h LEU 195 Cb 0.89 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 3c0t h LEU 195 CO 0.06 0.27 -0.06 0.18 -0.62 0.00 0.00 178.44 178.27 3c0t n LEU 196 N -4.03 2.24 0.32 2.25 4.77 -0.45 -4.54 117.00 117.56 3c0t n LEU 196 Ca -0.02 -0.96 0.21 0.00 -0.03 0.00 0.00 56.01 55.22 3c0t n LEU 196 Cb 0.34 0.00 1.08 0.00 -2.33 0.00 0.00 43.42 42.50 3c0t n LEU 196 CO 0.36 0.40 1.13 0.77 -1.33 0.00 0.00 177.39 178.73 3c0t h SER 197 N 3.00 0.00 1.11 -1.43 4.64 -0.86 -1.39 113.55 118.62 3c0t h SER 197 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3c0t h SER 197 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3c0t h SER 197 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3c0t h ALA 198 N 2.00 1.00 0.00 5.18 0.00 -1.80 -3.35 119.26 122.30 3c0t h ALA 198 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3c0t h ALA 198 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3c0t h ALA 198 CO 0.00 0.00 -0.06 1.97 0.00 0.00 0.00 179.25 181.16 3c0t n PHE 199 N -2.86 0.00 -3.65 0.00 1.16 -0.78 -5.09 117.46 106.24 3c0t n PHE 199 Ca 0.02 -0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.57 3c0t n PHE 199 Cb 0.32 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.12 3c0t n PHE 199 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3c0t s ASP 201 N 1.16 6.69 -0.14 0.00 2.15 -1.26 -4.04 116.67 121.23 3c0t s ASP 201 Ca -0.07 0.85 -0.03 0.00 0.43 0.00 0.00 52.55 53.72 3c0t s ASP 201 Cb -0.03 -2.38 -0.03 0.00 -0.30 0.00 0.00 42.92 40.18 3c0t s ASP 201 CO -0.13 -0.42 -0.04 -0.76 -0.17 0.00 0.00 175.17 173.64 3c0t s LEU 202 N 2.60 3.23 0.22 -1.34 1.43 -1.26 -4.34 118.68 119.22 3c0t s LEU 202 Ca 0.30 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 3c0t s LEU 202 Cb -0.15 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.29 3c0t s LEU 202 CO 0.08 0.19 0.42 -1.59 0.23 0.00 0.00 176.35 175.69 3c0t s LYS 203 N 0.23 1.42 -0.04 1.70 0.00 -0.33 -4.87 119.74 117.85 3c0t s LYS 203 Ca -0.03 -1.21 -0.30 0.00 0.00 0.00 0.00 55.97 54.44 3c0t s LYS 203 Cb -0.14 0.45 -0.05 0.00 0.00 0.00 0.00 37.83 38.09 3c0t s LYS 203 CO 0.03 -0.57 1.37 1.21 0.00 0.00 0.00 175.35 177.39 3c0t s ASN 204 N -3.00 6.88 -0.02 0.03 3.84 -1.26 -0.78 114.94 120.63 3c0t s ASN 204 Ca 0.20 2.01 0.05 0.00 0.21 0.00 0.00 52.86 55.34 3c0t s ASN 204 Cb 0.01 -2.55 -0.01 0.00 -0.55 0.00 0.00 41.25 38.14 3c0t s ASN 204 CO 0.06 -0.72 -0.16 -0.69 -2.79 0.00 0.00 177.10 172.79 3c0t s VAL 205 N 2.70 1.31 0.30 -5.21 1.01 -1.26 -4.94 120.40 114.31 3c0t s VAL 205 Ca 0.62 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 3c0t s VAL 205 Cb -0.29 -1.11 -0.11 0.00 0.00 0.00 0.00 36.38 34.88 3c0t s VAL 205 CO 0.24 0.38 1.46 -0.60 0.00 0.00 0.00 175.10 176.58 3c0t s ARG 206 N -0.20 4.22 0.00 2.72 3.52 -1.26 -4.96 118.95 122.99 3c0t s ARG 206 Ca 0.02 2.40 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 3c0t s ARG 206 Cb -0.08 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 3c0t s ARG 206 CO 0.00 -0.45 0.25 1.28 -0.81 0.00 0.00 175.30 175.57