#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r3s s PRO 4 N 0.00 3.97 -0.08 -0.78 0.04 -1.26 -5.07 135.00 131.82 2r3s s PRO 4 Ca 0.00 0.54 -0.07 0.00 0.04 0.00 0.00 61.00 61.51 2r3s s PRO 4 Cb 0.00 -2.67 0.02 0.00 0.04 0.00 0.00 34.50 31.89 2r3s s PRO 4 CO 0.00 0.31 0.22 0.45 0.04 0.00 0.00 177.00 178.02 2r3s s SER 5 N -2.09 -0.23 -0.10 6.66 0.15 -1.26 -5.02 113.70 111.82 2r3s s SER 5 Ca 0.47 0.44 0.09 0.00 0.70 0.00 0.00 55.95 57.65 2r3s s SER 5 Cb -0.12 0.44 0.42 0.00 -1.71 0.00 0.00 66.02 65.05 2r3s s SER 5 CO 0.19 -0.08 1.21 -0.81 1.20 0.00 0.00 173.24 174.95 2r3s n PRO 6 N 3.05 2.81 -0.21 5.44 -0.04 -1.26 -4.41 135.00 140.39 2r3s n PRO 6 Ca -0.14 -1.64 -0.08 0.00 -0.04 0.00 0.00 63.50 61.60 2r3s n PRO 6 Cb 0.58 -1.76 0.02 0.00 -0.04 0.00 0.00 33.50 32.30 2r3s n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2r3s h ALA 7 N 3.26 0.77 -0.14 0.55 0.00 -1.99 -2.22 119.26 119.49 2r3s h ALA 7 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2r3s h ALA 7 Cb 1.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2r3s h ALA 7 CO 0.20 0.48 -0.02 1.25 0.00 0.00 0.00 179.25 181.16 2r3s h LEU 8 N 0.84 -0.09 -0.23 0.00 5.85 -1.99 0.11 115.31 119.79 2r3s h LEU 8 Ca 0.18 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.00 2r3s h LEU 8 Cb 0.36 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 2r3s h LEU 8 CO 0.00 -0.03 -0.26 0.15 -0.34 0.00 0.00 178.44 177.97 2r3s h PHE 9 N 0.02 -0.70 -0.17 1.25 3.57 -1.83 0.98 116.94 120.06 2r3s h PHE 9 Ca 0.07 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.43 2r3s h PHE 9 Cb 0.09 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 2r3s h PHE 9 CO -0.16 -0.34 -0.62 0.74 -2.23 0.00 0.00 178.31 175.70 2r3s h PHE 10 N -0.27 0.78 -0.50 0.41 0.04 -1.06 0.18 116.94 116.52 2r3s h PHE 10 Ca 0.13 -0.30 -0.07 0.00 2.80 0.00 0.00 57.97 60.53 2r3s h PHE 10 Cb 0.48 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 2r3s h PHE 10 CO -0.41 1.06 0.03 -0.91 -0.60 0.00 0.00 178.31 177.49 2r3s h ASN 11 N 0.45 0.78 -0.19 2.17 2.35 -0.60 -1.72 115.58 118.81 2r3s h ASN 11 Ca -0.01 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 2r3s h ASN 11 Cb 1.19 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.35 2r3s h ASN 11 CO 0.12 0.82 -0.10 0.74 -1.65 0.00 0.00 177.43 177.36 2r3s h THR 12 N 0.76 1.31 -0.53 2.81 2.02 -0.50 -1.52 112.91 117.28 2r3s h THR 12 Ca 0.15 -1.17 0.09 0.00 0.77 0.00 0.00 66.41 66.25 2r3s h THR 12 Cb 0.42 1.69 -0.07 0.00 -1.74 0.00 0.00 68.15 68.45 2r3s h THR 12 CO 0.02 0.35 0.13 0.58 0.37 0.00 0.00 175.52 176.97 2r3s h VAL 13 N 0.08 0.73 -0.10 3.16 2.07 -0.46 -2.47 116.25 119.26 2r3s h VAL 13 Ca 0.04 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2r3s h VAL 13 Cb 0.59 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2r3s h VAL 13 CO 0.03 0.05 0.00 0.59 0.02 0.00 0.00 177.57 178.26 2r3s n ASN 14 N -5.09 1.15 -0.05 0.57 3.02 -0.66 -4.36 115.26 109.84 2r3s n ASN 14 Ca 0.06 -1.57 0.18 0.00 -0.03 0.00 0.00 54.58 53.23 2r3s n ASN 14 Cb 0.26 -0.06 0.63 0.00 -0.61 0.00 0.00 39.78 39.99 2r3s n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r3s h ALA 15 N 3.98 2.37 -0.31 5.41 0.00 -0.77 -0.81 119.26 129.12 2r3s h ALA 15 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2r3s h ALA 15 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2r3s h ALA 15 CO 0.00 -0.53 0.36 0.10 0.00 0.00 0.00 179.25 179.18 2r3s h TYR 16 N 0.14 0.00 -0.07 0.00 -0.00 -1.81 -1.92 116.97 113.31 2r3s h TYR 16 Ca 0.29 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.91 2r3s h TYR 16 Cb 0.94 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.65 2r3s h TYR 16 CO -0.00 0.00 -0.42 1.96 -0.00 0.00 0.00 178.16 179.70 2r3s h GLN 17 N 0.00 0.15 -0.32 0.10 4.20 -1.50 -2.41 115.11 115.33 2r3s h GLN 17 Ca 0.15 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 2r3s h GLN 17 Cb 0.86 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2r3s h GLN 17 CO -0.00 0.55 0.01 0.00 -0.67 0.00 0.00 178.83 178.72 2r3s h ARG 18 N 0.13 0.56 -0.29 1.46 3.08 -1.52 -0.23 114.38 117.57 2r3s h ARG 18 Ca 0.01 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 59.92 2r3s h ARG 18 Cb 0.80 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 2r3s h ARG 18 CO 0.06 0.68 0.12 0.77 -1.07 0.00 0.00 179.97 180.53 2r3s h SER 19 N 0.37 0.15 -0.79 7.04 0.02 -1.54 -0.77 113.55 118.03 2r3s h SER 19 Ca 0.09 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2r3s h SER 19 Cb 0.42 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2r3s h SER 19 CO 0.01 0.12 0.31 0.00 -1.14 0.00 0.00 176.83 176.14 2r3s h ALA 20 N 1.17 1.06 -0.28 3.77 0.00 -1.32 -0.99 119.26 122.66 2r3s h ALA 20 Ca 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2r3s h ALA 20 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2r3s h ALA 20 CO -0.12 0.67 0.07 0.00 0.00 0.00 0.00 179.25 179.87 2r3s h ALA 21 N 1.18 0.36 -0.12 0.00 0.00 -0.63 -1.35 119.26 118.71 2r3s h ALA 21 Ca 0.26 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2r3s h ALA 21 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2r3s h ALA 21 CO -0.02 0.01 -0.47 0.97 0.00 0.00 0.00 179.25 179.74 2r3s h ILE 22 N 0.28 1.33 -0.09 0.00 6.09 -1.05 -1.09 117.51 122.99 2r3s h ILE 22 Ca 0.09 -1.67 -0.00 0.00 -1.37 0.00 0.00 64.86 61.90 2r3s h ILE 22 Cb 0.27 1.76 -0.00 0.00 0.47 0.00 0.00 36.82 39.32 2r3s h ILE 22 CO -0.00 0.50 0.05 0.50 -3.07 0.00 0.00 178.15 176.13 2r3s h LYS 23 N 0.23 0.12 -0.54 2.19 3.64 -1.09 -1.55 116.57 119.58 2r3s h LYS 23 Ca 0.01 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2r3s h LYS 23 Cb 0.92 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 2r3s h LYS 23 CO 0.08 0.16 0.35 0.00 -2.27 0.00 0.00 179.45 177.77 2r3s h ALA 24 N 0.96 0.69 -0.65 5.00 0.00 -1.05 -0.80 119.26 123.41 2r3s h ALA 24 Ca 0.03 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2r3s h ALA 24 Cb 0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2r3s h ALA 24 CO -0.01 0.11 0.37 0.00 0.00 0.00 0.00 179.25 179.73 2r3s h ALA 25 N 1.21 0.86 -0.10 0.00 0.00 -1.09 -0.50 119.26 119.64 2r3s h ALA 25 Ca 0.20 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2r3s h ALA 25 Cb -0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2r3s h ALA 25 CO -0.05 0.07 -0.11 0.28 0.00 0.00 0.00 179.25 179.44 2r3s h VAL 26 N 0.70 1.37 -0.23 0.00 2.07 -0.96 -1.57 116.25 117.64 2r3s h VAL 26 Ca 0.28 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2r3s h VAL 26 Cb 0.13 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2r3s h VAL 26 CO -0.16 0.37 0.15 -0.33 0.02 0.00 0.00 177.57 177.62 2r3s h GLU 27 N -0.17 0.29 -0.02 1.57 5.08 -1.02 -2.18 114.58 118.12 2r3s h GLU 27 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2r3s h GLU 27 Cb 0.64 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2r3s h GLU 27 CO 0.03 0.19 -0.04 1.28 -1.00 0.00 0.00 179.01 179.47 2r3s n LEU 28 N -4.50 1.74 -1.95 1.33 4.77 -0.21 -4.95 117.00 113.24 2r3s n LEU 28 Ca 0.00 -0.57 -0.18 0.00 -0.03 0.00 0.00 56.01 55.23 2r3s n LEU 28 Cb 0.08 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2r3s n LEU 28 CO 0.35 0.29 -0.22 0.59 -1.33 0.00 0.00 177.39 177.07 2r3s n ASN 29 N 0.30 -5.13 -0.19 -1.43 4.13 -0.82 -4.80 115.26 107.31 2r3s n ASN 29 Ca 0.17 0.02 -0.03 0.00 1.68 0.00 0.00 54.58 56.42 2r3s n ASN 29 Cb 0.40 -4.21 0.07 0.00 -1.54 0.00 0.00 39.78 34.50 2r3s n ASN 29 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2r3s h VAL 30 N 0.00 0.94 -0.33 2.41 2.07 -1.57 -1.96 116.25 117.81 2r3s h VAL 30 Ca -0.41 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 66.82 2r3s h VAL 30 Cb 1.30 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2r3s h VAL 30 CO 0.49 0.10 -0.22 -0.26 0.02 0.00 0.00 177.57 177.70 2r3s h PHE 31 N 0.55 0.71 -0.41 1.57 0.04 -1.82 -2.21 116.94 115.37 2r3s h PHE 31 Ca 0.26 -0.15 -0.06 0.00 2.80 0.00 0.00 57.97 60.82 2r3s h PHE 31 Cb 0.18 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2r3s h PHE 31 CO -0.10 0.80 0.02 1.15 -0.60 0.00 0.00 178.31 179.58 2r3s h THR 32 N 0.56 1.22 -0.16 -1.55 2.02 -1.60 0.29 112.91 113.68 2r3s h THR 32 Ca 0.08 -0.85 -0.16 0.00 0.77 0.00 0.00 66.41 66.25 2r3s h THR 32 Cb 0.68 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2r3s h THR 32 CO 0.05 0.30 -0.57 0.00 0.37 0.00 0.00 175.52 175.67 2r3s h ALA 33 N 1.41 0.71 0.04 6.16 0.00 -0.97 -3.27 119.26 123.33 2r3s h ALA 33 Ca 0.13 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 2r3s h ALA 33 Cb 0.36 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2r3s h ALA 33 CO 0.01 0.70 -0.35 0.82 0.00 0.00 0.00 179.25 180.43 2r3s h ILE 34 N 0.38 1.60 0.00 0.00 2.04 -1.31 -3.49 117.51 116.72 2r3s h ILE 34 Ca 0.00 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.65 2r3s h ILE 34 Cb 1.11 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 40.22 2r3s h ILE 34 CO 0.10 0.60 0.00 -0.24 0.00 0.00 0.00 178.15 178.62 2r3s n SER 35 N -4.42 0.00 -1.36 1.72 2.88 1.00 -1.96 113.62 111.47 2r3s n SER 35 Ca -0.11 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.55 2r3s n SER 35 Cb 0.59 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.38 2r3s n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2r3s n GLN 36 N 14.00 2.72 0.00 -1.46 6.02 -1.26 -4.43 117.38 132.97 2r3s n GLN 36 Ca 0.00 -2.65 0.00 0.00 -0.01 0.00 0.00 57.00 54.34 2r3s n GLN 36 Cb 0.00 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 29.68 2r3s n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r3s n GLY 37 N 1.67 2.58 2.76 1.08 0.00 -0.83 -4.97 105.19 107.47 2r3s n GLY 37 Ca 0.25 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 2r3s n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r3s s ILE 38 N 2.59 0.27 -0.05 -0.61 1.01 -1.26 -4.42 121.20 118.74 2r3s s ILE 38 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.84 2r3s s ILE 38 Cb 0.00 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 42.04 2r3s s ILE 38 CO 0.00 0.23 -0.13 -1.61 0.00 0.00 0.00 174.94 173.43 2r3s s GLU 39 N 1.86 1.52 0.82 2.79 0.41 -0.57 -4.83 118.70 120.69 2r3s s GLU 39 Ca 0.03 -0.45 -0.11 0.00 -0.41 0.00 0.00 54.97 54.03 2r3s s GLU 39 Cb -0.12 -1.31 0.08 0.00 -1.78 0.00 0.00 34.13 31.00 2r3s s GLU 39 CO -0.04 0.12 1.09 -1.54 -0.49 0.00 0.00 175.26 174.40 2r3s s SER 40 N 0.33 4.20 0.40 -0.19 1.04 -1.25 -0.40 113.70 117.83 2r3s s SER 40 Ca -0.08 1.61 0.14 0.00 0.48 0.00 0.00 55.95 58.10 2r3s s SER 40 Cb -0.12 -2.32 0.83 0.00 0.10 0.00 0.00 66.02 64.50 2r3s s SER 40 CO 0.02 -2.20 1.88 0.77 0.98 0.00 0.00 173.24 174.69 2r3s h SER 41 N -1.24 0.00 -0.66 7.02 4.64 -1.94 -1.17 113.55 120.19 2r3s h SER 41 Ca -0.46 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2r3s h SER 41 Cb 1.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2r3s h SER 41 CO 0.54 0.31 0.40 1.56 -0.87 0.00 0.00 176.83 178.77 2r3s h GLN 42 N 0.00 0.90 -0.01 4.77 7.50 -1.92 0.13 115.11 126.48 2r3s h GLN 42 Ca -0.00 -0.08 -0.23 0.00 0.50 0.00 0.00 58.65 58.83 2r3s h GLN 42 Cb 0.57 -0.19 0.01 0.00 0.05 0.00 0.00 27.48 27.92 2r3s h GLN 42 CO 0.04 0.65 -0.94 1.03 -1.50 0.00 0.00 178.83 178.11 2r3s h SER 43 N 0.90 0.62 0.15 1.46 0.87 -1.84 -2.63 113.55 113.08 2r3s h SER 43 Ca 0.24 -0.49 -0.08 0.00 -1.23 0.00 0.00 61.79 60.23 2r3s h SER 43 Cb -0.02 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 2r3s h SER 43 CO -0.04 1.28 -0.28 -0.07 -0.53 0.00 0.00 176.83 177.19 2r3s h LEU 44 N 0.28 0.21 -0.41 2.23 3.38 -1.09 -0.58 115.31 119.33 2r3s h LEU 44 Ca -0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2r3s h LEU 44 Cb 1.57 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 2r3s h LEU 44 CO 0.17 0.49 0.25 0.00 0.09 0.00 0.00 178.44 179.44 2r3s h ALA 45 N 1.53 0.53 0.13 1.53 0.00 -0.84 0.19 119.26 122.33 2r3s h ALA 45 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2r3s h ALA 45 Cb 0.59 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2r3s h ALA 45 CO 0.04 0.01 -0.06 1.96 0.00 0.00 0.00 179.25 181.20 2r3s h GLN 46 N 0.55 -0.17 -0.93 0.00 7.50 -1.17 0.17 115.11 121.05 2r3s h GLN 46 Ca 0.15 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.31 2r3s h GLN 46 Cb -0.01 0.04 -0.05 0.00 0.05 0.00 0.00 27.48 27.51 2r3s h GLN 46 CO -0.03 0.07 0.58 0.87 -1.50 0.00 0.00 178.83 178.83 2r3s h LYS 47 N -0.40 1.26 -0.02 1.46 1.79 -1.02 -3.01 116.57 116.62 2r3s h LYS 47 Ca -0.02 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2r3s h LYS 47 Cb 0.32 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2r3s h LYS 47 CO 0.03 0.86 -0.32 0.00 -1.08 0.00 0.00 179.45 178.94 2r3s n GLN 49 N 0.40 -3.86 -4.50 0.00 6.02 0.49 -5.03 117.38 110.91 2r3s n GLN 49 Ca 0.10 0.63 -0.24 0.00 -0.01 0.00 0.00 57.00 57.49 2r3s n GLN 49 Cb 0.50 -4.89 -0.09 0.00 1.02 0.00 0.00 30.24 26.78 2r3s n GLN 49 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2r3s s THR 50 N -3.27 0.97 0.70 5.09 -4.23 -0.61 -5.05 115.64 109.24 2r3s s THR 50 Ca 0.11 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.48 2r3s s THR 50 Cb -0.01 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.27 2r3s s THR 50 CO 0.54 0.00 1.13 -0.94 -0.54 0.00 0.00 174.62 174.81 2r3s s SER 51 N -3.56 4.75 0.04 3.99 1.04 -1.26 -4.66 113.70 114.05 2r3s s SER 51 Ca 0.29 2.05 -0.18 0.00 0.48 0.00 0.00 55.95 58.59 2r3s s SER 51 Cb 0.06 -2.55 -0.16 0.00 0.10 0.00 0.00 66.02 63.46 2r3s s SER 51 CO 0.14 -1.87 1.26 -0.33 0.98 0.00 0.00 173.24 173.43 2r3s h GLU 52 N -0.28 0.50 -0.49 4.02 5.08 -1.92 -3.19 114.58 118.29 2r3s h GLU 52 Ca -0.46 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 57.49 2r3s h GLU 52 Cb 1.25 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 2r3s h GLU 52 CO 0.52 0.98 0.10 0.07 -1.00 0.00 0.00 179.01 179.69 2r3s h ARG 53 N 0.10 0.75 -0.73 2.33 0.11 -1.93 0.68 114.38 115.70 2r3s h ARG 53 Ca -0.01 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 59.92 2r3s h ARG 53 Cb 1.01 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.98 2r3s h ARG 53 CO 0.08 0.69 0.00 0.41 0.10 0.00 0.00 179.97 181.26 2r3s n GLY 54 N -0.88 0.46 0.27 0.08 0.00 -1.20 -4.61 105.19 99.30 2r3s n GLY 54 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2r3s n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2r3s n ARG 56 N 0.52 -0.27 0.00 1.61 0.00 0.23 -4.60 116.66 114.15 2r3s n ARG 56 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2r3s n ARG 56 Cb 0.09 -1.06 0.00 0.00 0.00 0.00 0.00 32.46 31.49 2r3s n ARG 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2r3s n LEU 58 N -0.27 0.00 -0.13 6.15 7.94 -1.26 -1.37 117.00 128.06 2r3s n LEU 58 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 2r3s n LEU 58 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 2r3s n LEU 58 CO 0.00 0.00 0.61 0.00 -1.11 0.00 0.00 177.39 176.89 2r3s h ASP 60 N 0.79 0.79 -0.46 0.00 3.32 -1.63 -0.25 116.42 118.98 2r3s h ASP 60 Ca 0.08 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 2r3s h ASP 60 Cb 0.89 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2r3s h ASP 60 CO 0.08 0.52 0.12 0.22 -1.72 0.00 0.00 179.24 178.46 2r3s h TYR 61 N 0.93 0.76 -0.03 4.55 5.03 -1.73 0.28 116.97 126.75 2r3s h TYR 61 Ca 0.34 -0.09 -0.02 0.00 2.58 0.00 0.00 58.73 61.54 2r3s h TYR 61 Cb 0.10 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.16 2r3s h TYR 61 CO -0.04 0.70 -0.05 -0.07 -1.32 0.00 0.00 178.16 177.38 2r3s h LEU 62 N 0.61 0.04 0.13 2.82 3.38 -0.41 -0.05 115.31 121.83 2r3s h LEU 62 Ca 0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2r3s h LEU 62 Cb 0.31 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2r3s h LEU 62 CO 0.00 0.10 -0.06 0.58 0.09 0.00 0.00 178.44 179.15 2r3s h VAL 63 N 0.05 1.03 -0.55 1.22 2.07 -0.60 -0.43 116.25 119.04 2r3s h VAL 63 Ca 0.01 -0.80 0.11 0.00 0.82 0.00 0.00 66.70 66.84 2r3s h VAL 63 Cb 0.12 1.52 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 2r3s h VAL 63 CO 0.01 0.19 0.06 0.40 0.02 0.00 0.00 177.57 178.24 2r3s h ILE 64 N -0.57 0.61 -0.30 4.57 2.04 -0.16 -1.81 117.51 121.90 2r3s h ILE 64 Ca -0.02 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2r3s h ILE 64 Cb 0.44 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2r3s h ILE 64 CO 0.03 0.03 0.00 2.30 0.00 0.00 0.00 178.15 180.51 2r3s n ILE 65 N -5.19 0.40 0.00 -0.67 -5.35 -0.11 -4.95 119.36 103.50 2r3s n ILE 65 Ca 0.07 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 2r3s n ILE 65 Cb 0.30 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 2r3s n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r3s n GLY 66 N 1.08 0.78 0.05 3.28 0.00 -0.68 -5.05 105.19 104.64 2r3s n GLY 66 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 2r3s n GLY 66 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2r3s n PHE 67 N -1.78 0.00 -4.23 1.61 3.72 -0.20 -4.87 117.46 111.71 2r3s n PHE 67 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2r3s n PHE 67 Cb 0.00 -0.25 -0.10 0.00 -0.94 0.00 0.00 39.48 38.19 2r3s n PHE 67 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2r3s s THR 69 N -2.56 0.91 -0.36 4.37 -4.23 0.98 -2.97 115.64 111.78 2r3s s THR 69 Ca 0.28 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.78 2r3s s THR 69 Cb 0.20 -1.92 0.09 0.00 1.34 0.00 0.00 72.50 72.22 2r3s s THR 69 CO 0.48 -0.68 0.10 -0.75 -0.54 0.00 0.00 174.62 173.24 2r3s s LYS 70 N -3.82 1.95 0.74 3.99 2.20 -1.26 -1.04 119.74 122.48 2r3s s LYS 70 Ca 0.18 -1.71 -0.01 0.00 -0.36 0.00 0.00 55.97 54.07 2r3s s LYS 70 Cb 0.04 -3.36 0.13 0.00 -1.51 0.00 0.00 37.83 33.13 2r3s s LYS 70 CO 0.01 -0.92 1.01 -0.65 -0.36 0.00 0.00 175.35 174.44 2r3s s GLN 71 N 1.09 1.61 0.21 4.03 -1.52 0.20 -4.97 119.66 120.32 2r3s s GLN 71 Ca 0.06 -1.09 -0.10 0.00 -1.95 0.00 0.00 55.36 52.28 2r3s s GLN 71 Cb -0.21 -2.31 0.21 0.00 -0.22 0.00 0.00 33.01 30.48 2r3s s GLN 71 CO -0.05 -1.51 1.84 0.00 -0.25 0.00 0.00 175.29 175.32 2r3s h ALA 72 N -0.59 0.91 -0.16 6.09 0.00 -2.02 -2.74 119.26 120.76 2r3s h ALA 72 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2r3s h ALA 72 Cb 1.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2r3s h ALA 72 CO 0.40 0.16 0.00 0.39 0.00 0.00 0.00 179.25 180.20 2r3s n GLU 73 N -4.70 2.02 -0.61 0.00 -0.58 -1.26 -5.04 120.64 110.47 2r3s n GLU 73 Ca 0.08 -1.51 0.00 0.00 -0.42 0.00 0.00 57.16 55.31 2r3s n GLU 73 Cb 0.11 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 2r3s n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2r3s n GLY 74 N 1.27 0.63 3.87 0.62 0.00 -1.03 -3.77 105.19 106.78 2r3s n GLY 74 Ca 0.17 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 2r3s n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r3s s TYR 75 N -3.25 3.62 -0.01 1.61 2.02 0.47 0.62 117.35 122.42 2r3s s TYR 75 Ca 0.00 0.71 0.01 0.00 -0.37 0.00 0.00 57.07 57.42 2r3s s TYR 75 Cb 0.00 -2.09 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2r3s s TYR 75 CO 0.00 0.62 -0.04 0.50 -1.57 0.00 0.00 175.55 175.06 2r3s s ARG 76 N -1.53 0.41 0.55 -0.62 3.52 -0.21 -1.51 118.95 119.56 2r3s s ARG 76 Ca 0.26 -0.11 -0.18 0.00 -0.13 0.00 0.00 55.73 55.56 2r3s s ARG 76 Cb -0.14 -0.43 -0.05 0.00 -1.56 0.00 0.00 34.95 32.77 2r3s s ARG 76 CO 0.14 0.03 1.09 -0.51 -0.81 0.00 0.00 175.30 175.24 2r3s s LEU 77 N 0.21 3.68 0.78 -0.88 1.43 -1.26 -0.01 118.68 122.63 2r3s s LEU 77 Ca -0.02 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 54.98 2r3s s LEU 77 Cb -0.05 -4.56 0.06 0.00 0.03 0.00 0.00 46.19 41.67 2r3s s LEU 77 CO -0.00 -1.13 1.08 0.42 0.23 0.00 0.00 176.35 176.95 2r3s s THR 78 N -2.05 3.30 0.24 5.49 -4.23 -1.16 -4.73 115.64 112.50 2r3s s THR 78 Ca 0.68 0.42 -0.05 0.00 -1.18 0.00 0.00 61.69 61.57 2r3s s THR 78 Cb -0.20 -3.07 0.21 0.00 1.34 0.00 0.00 72.50 70.79 2r3s s THR 78 CO 0.29 -0.55 1.82 0.28 -0.54 0.00 0.00 174.62 175.91 2r3s h SER 79 N -1.08 0.70 -0.80 3.99 0.02 -1.96 -0.75 113.55 113.66 2r3s h SER 79 Ca -0.46 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 2r3s h SER 79 Cb 1.25 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 2r3s h SER 79 CO 0.56 0.41 0.38 0.44 -1.14 0.00 0.00 176.83 177.48 2r3s h ASP 80 N 0.82 1.05 -0.23 3.07 3.32 -1.95 -2.97 116.42 119.54 2r3s h ASP 80 Ca 0.39 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 2r3s h ASP 80 Cb 0.32 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2r3s h ASP 80 CO -0.23 0.89 -0.42 0.28 -1.72 0.00 0.00 179.24 178.04 2r3s h SER 81 N 1.15 0.76 0.00 6.45 0.02 -1.67 -0.81 113.55 119.45 2r3s h SER 81 Ca 0.28 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2r3s h SER 81 Cb 0.12 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2r3s h SER 81 CO -0.03 1.16 0.00 0.00 -1.14 0.00 0.00 176.83 176.81 2r3s n ALA 82 N -2.53 1.01 0.00 3.77 0.00 -0.35 -0.72 120.51 121.69 2r3s n ALA 82 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2r3s n ALA 82 Cb 0.55 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2r3s n ALA 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2r3s n PHE 84 N 0.27 0.00 0.00 0.00 3.72 -0.31 -4.04 117.46 117.10 2r3s n PHE 84 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2r3s n PHE 84 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2r3s n PHE 84 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2r3s n LEU 85 N -0.11 0.00 -4.62 4.37 4.77 0.10 -1.12 117.00 120.39 2r3s n LEU 85 Ca 0.00 -0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 55.22 2r3s n LEU 85 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2r3s n LEU 85 CO 0.00 0.00 0.41 -0.62 -1.33 0.00 0.00 177.39 175.85 2r3s s ASP 86 N -0.74 6.56 0.57 -1.43 -1.08 -1.09 -4.25 116.67 115.21 2r3s s ASP 86 Ca 0.00 0.61 0.37 0.00 -0.52 0.00 0.00 52.55 53.01 2r3s s ASP 86 Cb 0.00 -2.34 2.02 0.00 -1.46 0.00 0.00 42.92 41.14 2r3s s ASP 86 CO 0.00 -0.43 2.13 0.03 0.52 0.00 0.00 175.17 177.43 2r3s h ARG 87 N 8.01 0.00 0.00 4.34 3.08 -1.91 -0.35 114.38 127.55 2r3s h ARG 87 Ca -0.26 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 2r3s h ARG 87 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 2r3s h ARG 87 CO 0.79 0.00 -0.14 0.37 -1.07 0.00 0.00 179.97 179.93 2r3s h GLN 88 N 0.00 0.00 -6.59 0.04 5.75 -1.93 -3.45 115.11 108.93 2r3s h GLN 88 Ca 0.00 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 57.98 2r3s h GLN 88 Cb 0.07 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 2r3s h GLN 88 CO 0.00 0.14 0.21 0.45 -2.65 0.00 0.00 178.83 176.98 2r3s s SER 89 N -6.02 7.37 0.60 -0.69 0.15 -0.14 -4.95 113.70 110.02 2r3s s SER 89 Ca 0.01 1.67 0.39 0.00 0.70 0.00 0.00 55.95 58.73 2r3s s SER 89 Cb 0.09 -2.51 1.98 0.00 -1.71 0.00 0.00 66.02 63.87 2r3s s SER 89 CO 0.61 0.15 2.19 0.07 1.20 0.00 0.00 173.24 177.46 2r3s h LYS 90 N 4.06 0.00 -0.66 5.44 -0.00 -1.87 -2.88 116.57 120.66 2r3s h LYS 90 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 2r3s h LYS 90 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 2r3s h LYS 90 CO 0.66 0.00 0.00 1.19 -0.00 0.00 0.00 179.45 181.30 2r3s n PHE 91 N -3.02 1.36 -1.68 0.07 3.72 -1.26 -4.98 117.46 111.67 2r3s n PHE 91 Ca -0.02 -0.59 -0.48 0.00 -0.05 0.00 0.00 57.45 56.31 2r3s n PHE 91 Cb 0.15 -0.19 -0.05 0.00 -0.94 0.00 0.00 39.48 38.46 2r3s n PHE 91 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2r3s n TYR 92 N 1.20 2.31 0.00 1.38 9.36 -1.09 -4.50 117.16 125.82 2r3s n TYR 92 Ca 0.25 0.07 0.00 0.00 3.32 0.00 0.00 57.90 61.54 2r3s n TYR 92 Cb 0.83 -2.63 0.00 0.00 -0.63 0.00 0.00 39.34 36.91 2r3s n TYR 92 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 2r3s n VAL 93 N 4.71 0.67 0.14 2.97 0.24 -0.28 -4.85 118.33 121.93 2r3s n VAL 93 Ca 0.21 -0.84 0.16 0.00 -2.04 0.00 0.00 64.34 61.84 2r3s n VAL 93 Cb 0.29 0.66 0.73 0.00 -1.47 0.00 0.00 33.84 34.05 2r3s n VAL 93 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2r3s h GLY 94 N 0.03 0.00 0.80 7.63 0.00 -1.89 -0.81 103.07 108.82 2r3s h GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2r3s h GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 2r3s n ASP 95 N -4.21 0.00 0.14 0.19 8.00 -1.26 -3.12 116.55 116.28 2r3s n ASP 95 Ca 0.04 -1.18 0.18 0.00 0.71 0.00 0.00 54.79 54.54 2r3s n ASP 95 Cb 0.37 0.00 0.77 0.00 -0.02 0.00 0.00 41.12 42.25 2r3s n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r3s h ALA 96 N 3.76 2.03 0.00 2.24 0.00 -1.27 -1.23 119.26 124.79 2r3s h ALA 96 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2r3s h ALA 96 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2r3s h ALA 96 CO 0.00 -0.47 0.00 -0.84 0.00 0.00 0.00 179.25 177.94 2r3s h ILE 97 N 0.00 0.00 -0.00 0.00 3.07 -1.79 -0.73 117.51 118.06 2r3s h ILE 97 Ca 0.15 -0.01 -0.02 0.00 1.55 0.00 0.00 64.86 66.53 2r3s h ILE 97 Cb 0.76 1.00 -0.00 0.00 -0.27 0.00 0.00 36.82 38.30 2r3s h ILE 97 CO -0.00 0.00 -0.08 -0.33 -1.05 0.00 0.00 178.15 176.69 2r3s h GLU 98 N 0.00 0.00 0.00 0.16 5.08 -1.51 -0.53 114.58 117.78 2r3s h GLU 98 Ca 0.00 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2r3s h GLU 98 Cb 0.01 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2r3s h GLU 98 CO 0.00 0.08 -1.08 0.34 -1.00 0.00 0.00 179.01 177.35 2r3s n PHE 99 N -4.45 0.78 0.22 4.33 7.35 -0.68 -3.97 117.46 121.03 2r3s n PHE 99 Ca -0.03 0.34 0.05 0.00 -0.76 0.00 0.00 57.45 57.05 2r3s n PHE 99 Cb 0.15 -0.90 0.49 0.00 0.35 0.00 0.00 39.48 39.57 2r3s n PHE 99 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2r3s h LEU 100 N -1.00 0.01 -3.27 -2.13 3.38 -1.11 -0.41 115.31 110.78 2r3s h LEU 100 Ca -0.22 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2r3s h LEU 100 Cb 0.99 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2r3s h LEU 100 CO -0.13 0.21 -0.00 0.18 0.09 0.00 0.00 178.44 178.78 2r3s n LEU 101 N -4.30 3.90 -4.75 1.67 4.77 -0.21 -4.64 117.00 113.44 2r3s n LEU 101 Ca -0.02 -3.12 -0.41 0.00 -0.03 0.00 0.00 56.01 52.43 2r3s n LEU 101 Cb 0.26 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 2r3s n LEU 101 CO 0.37 0.74 1.10 -0.55 -1.33 0.00 0.00 177.39 177.72 2r3s s SER 102 N -2.03 6.64 0.00 -1.43 0.15 -0.16 -4.83 113.70 112.04 2r3s s SER 102 Ca 0.42 2.69 0.00 0.00 0.70 0.00 0.00 55.95 59.76 2r3s s SER 102 Cb 0.35 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2r3s s SER 102 CO 0.08 -0.71 0.48 -0.81 1.20 0.00 0.00 173.24 173.48 2r3s n PRO 103 N 2.21 0.00 0.00 5.44 -0.04 -1.26 -0.85 135.00 140.51 2r3s n PRO 103 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2r3s n PRO 103 Cb 0.40 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2r3s n PRO 103 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2r3s n ILE 105 N 2.95 0.00 0.21 0.52 2.08 -1.26 -1.22 119.36 122.65 2r3s n ILE 105 Ca 0.00 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.37 2r3s n ILE 105 Cb 0.00 0.00 0.48 0.00 -0.75 0.00 0.00 39.64 39.37 2r3s n ILE 105 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2r3s h THR 106 N 0.00 0.96 -0.58 1.39 1.35 -1.25 -2.88 112.91 111.90 2r3s h THR 106 Ca 0.00 -1.03 0.07 0.00 -0.55 0.00 0.00 66.41 64.90 2r3s h THR 106 Cb 0.00 1.59 -0.03 0.00 -1.73 0.00 0.00 68.15 67.98 2r3s h THR 106 CO 0.00 0.27 0.38 0.78 -0.25 0.00 0.00 175.52 176.70 2r3s h ASN 107 N 0.00 0.46 -0.31 5.36 2.35 -1.40 -1.61 115.58 120.43 2r3s h ASN 107 Ca -0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 2r3s h ASN 107 Cb 0.57 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 2r3s h ASN 107 CO 0.04 0.30 0.27 1.23 -1.65 0.00 0.00 177.43 177.61 2r3s h GLY 108 N 0.53 0.00 0.68 2.83 0.00 -1.73 -2.02 103.07 103.36 2r3s h GLY 108 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2r3s h GLY 108 CO -0.07 0.00 -0.47 0.69 0.00 0.00 0.00 176.54 176.69 2r3s n PHE 109 N -4.09 0.00 -0.09 5.60 3.01 -0.61 -3.94 117.46 117.33 2r3s n PHE 109 Ca 0.05 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.53 2r3s n PHE 109 Cb 0.43 -0.19 0.35 0.00 -0.01 0.00 0.00 39.48 40.05 2r3s n PHE 109 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2r3s h ASN 110 N 0.38 0.63 -2.45 4.37 2.35 -1.28 -3.31 115.58 116.28 2r3s h ASN 110 Ca 0.00 -0.02 -0.59 0.00 -0.55 0.00 0.00 56.30 55.14 2r3s h ASN 110 Cb 0.51 -0.16 -0.39 0.00 0.05 0.00 0.00 38.32 38.33 2r3s h ASN 110 CO 0.00 0.47 -0.90 -0.67 -1.65 0.00 0.00 177.43 174.68 2r3s n ASP 111 N -4.44 0.54 0.17 5.81 -0.08 -1.25 -4.91 116.55 112.38 2r3s n ASP 111 Ca 0.05 -2.64 0.03 0.00 -1.51 0.00 0.00 54.79 50.72 2r3s n ASP 111 Cb 0.06 -0.61 0.31 0.00 2.34 0.00 0.00 41.12 43.22 2r3s n ASP 111 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2r3s h LEU 112 N 5.26 0.00 -0.64 -2.67 5.85 -1.70 -2.84 115.31 118.57 2r3s h LEU 112 Ca 0.21 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.99 2r3s h LEU 112 Cb 0.86 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 2r3s h LEU 112 CO 0.48 0.44 0.35 0.74 -0.34 0.00 0.00 178.44 180.11 2r3s h THR 113 N 0.00 0.97 -0.36 1.05 2.02 -1.92 0.16 112.91 114.83 2r3s h THR 113 Ca -0.00 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 66.98 2r3s h THR 113 Cb 0.87 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2r3s h THR 113 CO 0.06 0.12 0.18 0.00 0.37 0.00 0.00 175.52 176.24 2r3s h ALA 114 N 1.33 0.44 -0.79 6.16 0.00 -1.92 -0.64 119.26 123.85 2r3s h ALA 114 Ca 0.28 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2r3s h ALA 114 Cb 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2r3s h ALA 114 CO -0.18 -0.19 0.38 0.00 0.00 0.00 0.00 179.25 179.26 2r3s h ALA 115 N 1.19 1.02 -0.58 0.00 0.00 -1.26 -1.94 119.26 117.68 2r3s h ALA 115 Ca 0.15 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2r3s h ALA 115 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2r3s h ALA 115 CO -0.10 0.59 0.04 0.28 0.00 0.00 0.00 179.25 180.05 2r3s h VAL 116 N 1.12 1.26 -0.49 0.00 2.07 -0.71 0.70 116.25 120.20 2r3s h VAL 116 Ca 0.27 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.73 2r3s h VAL 116 Cb 0.12 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2r3s h VAL 116 CO -0.03 0.39 0.31 -0.07 0.02 0.00 0.00 177.57 178.19 2r3s h LEU 117 N 0.89 0.53 0.00 2.57 3.38 -0.91 -3.23 115.31 118.54 2r3s h LEU 117 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2r3s h LEU 117 Cb 0.49 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2r3s h LEU 117 CO 0.02 0.38 -1.22 2.29 0.09 0.00 0.00 178.44 180.01 2r3s n LYS 118 N -4.77 0.43 -0.75 1.13 2.85 -0.75 -4.99 118.16 111.32 2r3s n LYS 118 Ca 0.02 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 2r3s n LYS 118 Cb 0.04 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 2r3s n LYS 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2r3s n GLY 119 N 1.30 0.97 0.00 2.58 0.00 0.19 -5.01 105.19 105.22 2r3s n GLY 119 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2r3s n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r3s n GLY 120 N -1.69 -2.05 3.69 -0.02 0.00 -0.88 -4.74 105.19 99.50 2r3s n GLY 120 Ca 0.00 -1.17 -0.44 0.00 0.00 0.00 0.00 46.02 44.40 2r3s n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2r3s n THR 121 N -0.04 0.54 1.65 2.61 5.66 -0.38 -4.25 114.28 120.07 2r3s n THR 121 Ca 0.00 -0.13 0.15 0.00 -3.05 0.00 0.00 64.05 61.01 2r3s n THR 121 Cb 0.00 -1.66 0.73 0.00 -1.55 0.00 0.00 70.33 67.86 2r3s n THR 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2r3s n ALA 122 N 2.70 2.67 -1.80 1.79 0.00 -1.26 -4.86 120.51 119.75 2r3s n ALA 122 Ca 0.13 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2r3s n ALA 122 Cb 0.32 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 2r3s n ALA 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2r3s s ILE 123 N -2.21 3.10 0.38 0.00 1.01 -1.26 -4.94 121.20 117.26 2r3s s ILE 123 Ca 0.38 1.07 -0.25 0.00 0.00 0.00 0.00 60.65 61.85 2r3s s ILE 123 Cb 0.21 -3.68 -0.12 0.00 0.01 0.00 0.00 42.46 38.87 2r3s s ILE 123 CO 0.41 0.24 0.82 -1.54 0.00 0.00 0.00 174.94 174.87 2r3s n SER 124 N 1.22 0.36 0.00 3.58 3.41 -1.26 -3.84 113.62 117.09 2r3s n SER 124 Ca 0.00 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 2r3s n SER 124 Cb 0.43 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2r3s n SER 124 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2r3s n SER 125 N 1.03 0.00 -1.62 4.04 7.64 -1.26 -2.97 113.62 120.47 2r3s n SER 125 Ca 0.11 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.83 2r3s n SER 125 Cb 0.37 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.66 2r3s n SER 125 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2r3s n GLU 126 N 13.02 2.81 0.00 1.43 1.02 -1.26 -4.98 120.64 132.67 2r3s n GLU 126 Ca 0.00 -3.74 0.00 0.00 -0.02 0.00 0.00 57.16 53.40 2r3s n GLU 126 Cb 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 2r3s n GLU 126 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2r3s n GLY 127 N -0.89 3.25 0.00 0.62 0.00 -1.16 -1.03 105.19 105.99 2r3s n GLY 127 Ca 0.39 0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.66 2r3s n GLY 127 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2r3s n THR 128 N 0.00 0.02 1.32 2.61 -2.24 -0.82 -3.29 114.28 111.87 2r3s n THR 128 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2r3s n THR 128 Cb 0.00 -0.52 0.42 0.00 -2.10 0.00 0.00 70.33 68.14 2r3s n THR 128 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2r3s n LEU 129 N -1.16 1.80 -4.76 3.22 4.77 -0.20 -4.73 117.00 115.94 2r3s n LEU 129 Ca 0.18 -0.65 -0.39 0.00 -0.03 0.00 0.00 56.01 55.11 2r3s n LEU 129 Cb 0.18 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2r3s n LEU 129 CO 0.20 0.33 1.01 -0.94 -1.33 0.00 0.00 177.39 176.67 2r3s s SER 130 N -1.86 5.69 0.15 -1.43 1.04 -1.21 -4.88 113.70 111.19 2r3s s SER 130 Ca 0.35 2.81 -0.34 0.00 0.48 0.00 0.00 55.95 59.25 2r3s s SER 130 Cb 0.20 -2.64 -0.15 0.00 0.10 0.00 0.00 66.02 63.52 2r3s s SER 130 CO 0.31 -1.29 1.34 -2.65 0.98 0.00 0.00 173.24 171.93 2r3s n PRO 131 N -0.51 1.47 -3.58 4.02 -0.02 -1.26 -2.41 135.00 132.71 2r3s n PRO 131 Ca 0.07 0.53 -0.27 0.00 -2.02 0.00 0.00 63.50 61.81 2r3s n PRO 131 Cb 0.43 -2.15 0.02 0.00 -0.02 0.00 0.00 33.50 31.78 2r3s n PRO 131 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2r3s n GLU 132 N 2.39 -4.63 -1.80 -0.52 1.02 -1.26 -4.90 120.64 110.94 2r3s n GLU 132 Ca 0.16 0.60 -0.42 0.00 -0.02 0.00 0.00 57.16 57.48 2r3s n GLU 132 Cb 0.24 -5.42 -0.03 0.00 -0.02 0.00 0.00 31.44 26.21 2r3s n GLU 132 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2r3s s HIS 133 N -3.15 2.92 -0.71 -0.32 2.46 -1.01 -4.87 115.29 110.61 2r3s s HIS 133 Ca 0.52 0.52 0.20 0.00 0.47 0.00 0.00 55.06 56.77 2r3s s HIS 133 Cb -0.26 -4.06 0.83 0.00 -0.13 0.00 0.00 32.58 28.96 2r3s s HIS 133 CO 0.64 -3.89 1.61 -0.35 -2.47 0.00 0.00 174.74 170.27 2r3s n PRO 134 N 3.57 0.11 0.33 2.88 -0.04 -1.26 -2.78 135.00 137.81 2r3s n PRO 134 Ca 0.14 0.34 0.21 0.00 -0.04 0.00 0.00 63.50 64.14 2r3s n PRO 134 Cb 0.37 -1.71 1.13 0.00 -0.04 0.00 0.00 33.50 33.24 2r3s n PRO 134 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2r3s h VAL 135 N 0.00 0.16 0.00 0.52 3.04 -1.95 -2.00 116.25 116.02 2r3s h VAL 135 Ca 0.00 -0.01 -0.04 0.00 -1.01 0.00 0.00 66.70 65.64 2r3s h VAL 135 Cb 0.32 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 2r3s h VAL 135 CO 0.00 0.00 -0.54 -0.50 -1.01 0.00 0.00 177.57 175.52 2r3s h TRP 136 N 0.00 0.00 -0.22 3.17 4.06 -1.90 0.25 115.95 121.31 2r3s h TRP 136 Ca -0.00 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 2r3s h TRP 136 Cb 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.17 2r3s h TRP 136 CO 0.00 0.17 -0.20 0.28 -3.56 0.00 0.00 178.44 175.12 2r3s h VAL 137 N 0.00 1.32 -0.33 1.49 2.07 -1.57 -1.28 116.25 117.95 2r3s h VAL 137 Ca -0.02 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.18 2r3s h VAL 137 Cb 1.14 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 2r3s h VAL 137 CO 0.02 0.42 0.12 1.56 0.02 0.00 0.00 177.57 179.71 2r3s h GLN 138 N 0.21 0.26 0.03 1.57 4.20 -1.33 -1.10 115.11 118.94 2r3s h GLN 138 Ca 0.04 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.75 2r3s h GLN 138 Cb 0.75 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 2r3s h GLN 138 CO 0.05 0.17 -0.12 0.35 -0.67 0.00 0.00 178.83 178.62 2r3s h PHE 139 N 0.27 -0.30 -0.90 2.96 3.04 -0.92 0.12 116.94 121.20 2r3s h PHE 139 Ca 0.15 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.15 2r3s h PHE 139 Cb 0.12 0.13 -0.05 0.00 2.56 0.00 0.00 35.95 38.70 2r3s h PHE 139 CO -0.14 -0.18 0.59 0.00 -2.02 0.00 0.00 178.31 176.57 2r3s h ALA 140 N 0.72 1.45 0.07 2.41 0.00 -0.89 -2.77 119.26 120.25 2r3s h ALA 140 Ca 0.03 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2r3s h ALA 140 Cb 0.25 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 17.75 2r3s h ALA 140 CO -0.09 0.46 -1.04 0.87 0.00 0.00 0.00 179.25 179.44 2r3s h LYS 141 N 1.11 0.58 -0.85 0.00 1.57 -1.01 -3.36 116.57 114.61 2r3s h LYS 141 Ca 0.36 -0.72 -0.11 0.00 -1.87 0.00 0.00 60.65 58.31 2r3s h LYS 141 Cb 0.05 0.23 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 2r3s h LYS 141 CO -0.11 1.31 0.15 0.00 -0.57 0.00 0.00 179.45 180.22 2r3s n ALA 142 N -2.66 3.69 0.00 3.86 0.00 0.39 -4.84 120.51 120.96 2r3s n ALA 142 Ca -0.12 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 51.98 2r3s n ALA 142 Cb 0.89 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2r3s n ALA 142 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2r3s n SER 144 N 0.05 0.00 -3.64 0.00 3.41 -1.26 -3.99 113.62 108.19 2r3s n SER 144 Ca 0.23 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.60 2r3s n SER 144 Cb 0.95 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.84 2r3s n SER 144 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2r3s n PRO 145 N 0.00 0.00 0.00 4.33 -0.02 -1.26 -4.88 135.00 133.17 2r3s n PRO 145 Ca 0.00 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.90 2r3s n PRO 145 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2r3s n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r3s n ALA 148 N 6.56 0.00 0.01 3.55 0.00 -1.26 -5.03 120.51 124.34 2r3s n ALA 148 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 2r3s n ALA 148 Cb 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.68 2r3s n ALA 148 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2r3s h ASN 149 N 0.24 -0.03 -0.37 0.00 -1.24 -2.00 -2.39 115.58 109.80 2r3s h ASN 149 Ca 0.00 -0.35 0.00 0.00 0.71 0.00 0.00 56.30 56.66 2r3s h ASN 149 Cb 0.00 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 2r3s h ASN 149 CO 0.00 0.33 0.24 -0.65 -1.29 0.00 0.00 177.43 176.06 2r3s h PRO 150 N -0.39 0.50 -0.55 6.67 0.11 -1.99 0.42 132.00 136.77 2r3s h PRO 150 Ca -0.00 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.11 2r3s h PRO 150 Cb 0.37 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.33 2r3s h PRO 150 CO 0.01 0.35 0.31 0.00 -0.21 0.00 0.00 178.00 178.45 2r3s h ALA 151 N 1.74 0.71 -0.71 -0.75 0.00 -1.84 -0.03 119.26 118.38 2r3s h ALA 151 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2r3s h ALA 151 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2r3s h ALA 151 CO -0.03 -0.01 0.28 1.96 0.00 0.00 0.00 179.25 181.46 2r3s h GLN 152 N 0.60 1.05 -0.35 0.00 1.08 -0.84 -1.72 115.11 114.92 2r3s h GLN 152 Ca 0.23 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2r3s h GLN 152 Cb 0.09 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2r3s h GLN 152 CO -0.13 0.87 0.13 -0.07 -0.95 0.00 0.00 178.83 178.68 2r3s h LEU 153 N 1.01 0.50 -0.63 1.46 3.38 -0.36 -1.21 115.31 119.46 2r3s h LEU 153 Ca 0.24 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2r3s h LEU 153 Cb 0.21 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2r3s h LEU 153 CO -0.02 0.55 0.33 0.40 0.09 0.00 0.00 178.44 179.78 2r3s h ILE 154 N 0.42 1.21 -0.17 1.22 2.04 -0.95 0.07 117.51 121.34 2r3s h ILE 154 Ca 0.12 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.46 2r3s h ILE 154 Cb 0.22 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2r3s h ILE 154 CO -0.01 0.24 -0.17 0.00 0.00 0.00 0.00 178.15 178.21 2r3s h ALA 155 N 1.15 -0.06 0.00 1.87 0.00 -1.08 0.67 119.26 121.81 2r3s h ALA 155 Ca 0.22 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2r3s h ALA 155 Cb 0.08 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2r3s h ALA 155 CO -0.03 -0.61 -0.07 -0.56 0.00 0.00 0.00 179.25 177.98 2r3s h GLN 156 N -0.19 0.00 -0.12 0.00 3.07 -0.86 -1.51 115.11 115.49 2r3s h GLN 156 Ca 0.11 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.74 2r3s h GLN 156 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.90 2r3s h GLN 156 CO -0.29 0.07 -0.42 1.25 0.09 0.00 0.00 178.83 179.53 2r3s h LEU 157 N 0.00 0.29 -0.95 0.06 5.85 -0.52 -3.11 115.31 116.93 2r3s h LEU 157 Ca -0.00 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 2r3s h LEU 157 Cb 0.83 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2r3s h LEU 157 CO 0.01 0.68 -0.47 0.58 -0.34 0.00 0.00 178.44 178.90 2r3s h VAL 158 N 0.23 1.16 0.00 1.05 2.07 0.06 -3.27 116.25 117.55 2r3s h VAL 158 Ca 0.02 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2r3s h VAL 158 Cb 0.84 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2r3s h VAL 158 CO 0.07 0.46 0.00 0.59 0.02 0.00 0.00 177.57 178.70 2r3s n ASN 159 N -3.74 0.78 -0.57 0.57 4.13 -0.66 -3.63 115.26 112.15 2r3s n ASN 159 Ca -0.01 -1.94 0.06 0.00 1.68 0.00 0.00 54.58 54.37 2r3s n ASN 159 Cb 0.53 -0.39 0.14 0.00 -1.54 0.00 0.00 39.78 38.52 2r3s n ASN 159 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2r3s n GLU 160 N -0.09 1.11 -0.63 3.52 1.02 -1.24 -5.03 120.64 119.30 2r3s n GLU 160 Ca 0.00 -2.68 0.00 0.00 -0.02 0.00 0.00 57.16 54.46 2r3s n GLU 160 Cb 0.19 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2r3s n GLU 160 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2r3s n ILE 163 N -0.87 -2.07 -3.39 -3.67 -5.35 -1.24 -5.07 119.36 97.71 2r3s n ILE 163 Ca 0.14 0.81 -0.14 0.00 -0.27 0.00 0.00 62.75 63.28 2r3s n ILE 163 Cb 0.74 -1.18 -0.09 0.00 -1.74 0.00 0.00 39.64 37.37 2r3s n ILE 163 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2r3s s GLU 164 N -4.86 0.32 0.30 6.28 2.12 -1.26 -4.98 118.70 116.62 2r3s s GLU 164 Ca 0.00 0.11 -0.18 0.00 0.36 0.00 0.00 54.97 55.25 2r3s s GLU 164 Cb 0.00 -0.68 -0.09 0.00 0.26 0.00 0.00 34.13 33.62 2r3s s GLU 164 CO 0.00 -0.87 0.78 -1.25 -0.54 0.00 0.00 175.26 173.38 2r3s s PRO 165 N 2.42 4.17 -0.06 4.30 0.04 -1.26 -4.96 135.00 139.66 2r3s s PRO 165 Ca 0.10 0.86 0.12 0.00 0.04 0.00 0.00 61.00 62.12 2r3s s PRO 165 Cb -0.14 -2.58 -0.17 0.00 0.04 0.00 0.00 34.50 31.64 2r3s s PRO 165 CO -0.25 0.22 0.18 1.28 0.04 0.00 0.00 177.00 178.47 2r3s n LEU 166 N 0.04 0.00 -3.77 -3.56 4.77 -1.26 -4.08 117.00 109.14 2r3s n LEU 166 Ca 0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.78 2r3s n LEU 166 Cb 0.52 0.11 -0.17 0.00 -2.33 0.00 0.00 43.42 41.55 2r3s n LEU 166 CO 0.42 0.11 -0.38 -0.75 -1.33 0.00 0.00 177.39 175.46 2r3s s LYS 167 N -2.63 0.50 -0.07 3.23 2.20 -1.26 -1.09 119.74 120.62 2r3s s LYS 167 Ca -0.05 0.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.72 2r3s s LYS 167 Cb 0.06 -0.84 0.00 0.00 -1.51 0.00 0.00 37.83 35.55 2r3s s LYS 167 CO 0.50 -0.27 -0.17 0.08 -0.36 0.00 0.00 175.35 175.13 2r3s s VAL 168 N 1.79 1.47 -0.14 4.02 1.01 -0.22 -0.85 120.40 127.47 2r3s s VAL 168 Ca 0.02 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 2r3s s VAL 168 Cb -0.13 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2r3s s VAL 168 CO -0.04 0.43 -0.07 -0.22 0.00 0.00 0.00 175.10 175.20 2r3s s LEU 169 N 0.37 3.09 -0.38 3.92 2.96 -0.41 0.22 118.68 128.46 2r3s s LEU 169 Ca -0.12 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2r3s s LEU 169 Cb -0.15 -1.73 0.11 0.00 0.50 0.00 0.00 46.19 44.92 2r3s s LEU 169 CO 0.05 0.18 0.12 -0.62 -1.32 0.00 0.00 176.35 174.76 2r3s s ASP 170 N 0.29 4.95 -0.12 3.68 -1.08 0.14 -0.44 116.67 124.08 2r3s s ASP 170 Ca -0.05 -2.15 -0.21 0.00 -0.52 0.00 0.00 52.55 49.62 2r3s s ASP 170 Cb -0.15 -1.71 -0.04 0.00 -1.46 0.00 0.00 42.92 39.57 2r3s s ASP 170 CO 0.04 -0.44 0.60 -0.63 0.52 0.00 0.00 175.17 175.26 2r3s s ILE 171 N 0.93 5.10 -1.18 4.11 1.01 -0.35 -1.30 121.20 129.53 2r3s s ILE 171 Ca 0.10 1.19 -0.13 0.00 0.00 0.00 0.00 60.65 61.81 2r3s s ILE 171 Cb -0.21 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 2r3s s ILE 171 CO -0.06 0.25 0.76 -1.54 0.00 0.00 0.00 174.94 174.35 2r3s n SER 172 N 4.02 -4.38 -0.21 3.58 3.41 -0.15 -4.10 113.62 115.79 2r3s n SER 172 Ca -0.04 -0.94 0.27 0.00 -0.26 0.00 0.00 58.87 57.91 2r3s n SER 172 Cb 0.51 -3.73 0.68 0.00 -0.26 0.00 0.00 64.21 61.41 2r3s n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r3s h ALA 173 N 0.70 2.73 -0.80 7.33 0.00 -1.33 -3.45 119.26 124.44 2r3s h ALA 173 Ca -0.65 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2r3s h ALA 173 Cb 1.35 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2r3s h ALA 173 CO 0.50 -1.01 0.00 0.45 0.00 0.00 0.00 179.25 179.20 2r3s n SER 174 N -4.32 0.00 0.20 0.00 2.88 -1.26 0.66 113.62 111.77 2r3s n SER 174 Ca 0.20 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.84 2r3s n SER 174 Cb 0.94 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.97 2r3s n SER 174 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2r3s h HIS 175 N 0.00 0.00 0.00 0.66 -0.00 -1.86 -3.30 115.15 110.65 2r3s h HIS 175 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2r3s h HIS 175 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2r3s h HIS 175 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.34 2r3s n GLY 176 N -1.26 0.69 0.20 6.13 0.00 0.21 -3.98 105.19 107.17 2r3s n GLY 176 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 2r3s n GLY 176 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2r3s h LEU 177 N 0.00 0.00 0.42 0.99 3.38 -1.90 -1.09 115.31 117.10 2r3s h LEU 177 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2r3s h LEU 177 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2r3s h LEU 177 CO 0.00 0.31 -0.20 -0.26 0.09 0.00 0.00 178.44 178.38 2r3s h PHE 178 N 0.00 -0.52 -0.72 1.13 0.04 -1.90 -0.45 116.94 114.53 2r3s h PHE 178 Ca -0.00 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2r3s h PHE 178 Cb 0.59 0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.87 2r3s h PHE 178 CO 0.00 -0.20 0.31 0.78 -0.60 0.00 0.00 178.31 178.60 2r3s h GLY 179 N -0.82 1.13 1.00 -1.45 0.00 -1.93 -2.52 103.07 98.48 2r3s h GLY 179 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2r3s h GLY 179 CO 0.09 0.55 0.40 -2.22 0.00 0.00 0.00 176.54 175.36 2r3s h ILE 180 N 1.04 1.16 -0.66 2.60 2.04 -1.16 -1.06 117.51 121.47 2r3s h ILE 180 Ca 0.25 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 2r3s h ILE 180 Cb 0.16 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2r3s h ILE 180 CO -0.03 0.16 0.19 0.00 0.00 0.00 0.00 178.15 178.47 2r3s h ALA 181 N 1.22 1.09 -0.34 1.87 0.00 -0.88 0.10 119.26 122.32 2r3s h ALA 181 Ca 0.23 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2r3s h ALA 181 Cb -0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 2r3s h ALA 181 CO -0.05 0.62 0.12 0.28 0.00 0.00 0.00 179.25 180.21 2r3s h VAL 182 N 0.98 0.90 -0.88 0.00 2.07 -1.01 -2.09 116.25 116.22 2r3s h VAL 182 Ca 0.21 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2r3s h VAL 182 Cb 0.31 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2r3s h VAL 182 CO -0.00 0.05 0.54 0.00 0.02 0.00 0.00 177.57 178.17 2r3s h ALA 183 N 1.22 1.12 -0.27 1.67 0.00 -0.56 -1.13 119.26 121.31 2r3s h ALA 183 Ca 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2r3s h ALA 183 Cb 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2r3s h ALA 183 CO -0.16 0.56 -0.01 1.96 0.00 0.00 0.00 179.25 181.61 2r3s h GLN 184 N 1.20 0.41 -0.01 0.00 4.20 -0.38 -2.89 115.11 117.65 2r3s h GLN 184 Ca 0.32 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2r3s h GLN 184 Cb -0.07 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2r3s h GLN 184 CO -0.06 0.44 -0.57 0.72 -0.67 0.00 0.00 178.83 178.69 2r3s n HIS 185 N -4.31 0.00 -3.62 2.96 8.25 -0.83 -4.70 115.22 112.97 2r3s n HIS 185 Ca 0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 2r3s n HIS 185 Cb 0.22 -0.07 -0.13 0.00 1.12 0.00 0.00 29.99 31.13 2r3s n HIS 185 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2r3s s ASN 186 N -2.71 3.42 0.63 0.41 0.01 -0.47 -5.02 114.94 111.20 2r3s s ASN 186 Ca 0.16 -2.39 0.29 0.00 -0.71 0.00 0.00 52.86 50.20 2r3s s ASN 186 Cb 0.18 -0.78 1.56 0.00 0.41 0.00 0.00 41.25 42.61 2r3s s ASN 186 CO 0.66 -0.29 1.92 -0.65 -1.51 0.00 0.00 177.10 177.23 2r3s h PRO 187 N 6.93 0.00 -0.57 -0.60 0.11 -1.84 -0.79 132.00 135.24 2r3s h PRO 187 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2r3s h PRO 187 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2r3s h PRO 187 CO 0.40 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.28 2r3s n ASN 188 N -3.30 3.68 -4.75 -2.05 3.02 -1.26 -4.96 115.26 105.64 2r3s n ASN 188 Ca 0.03 -1.99 -0.40 0.00 -0.03 0.00 0.00 54.58 52.19 2r3s n ASN 188 Cb 0.50 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 2r3s n ASN 188 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r3s s ALA 189 N -1.18 3.35 -0.14 5.41 0.00 -0.30 -4.62 121.76 124.28 2r3s s ALA 189 Ca 0.43 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.86 2r3s s ALA 189 Cb 0.23 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 2r3s s ALA 189 CO 0.31 0.14 -0.07 -1.21 0.00 0.00 0.00 175.76 174.93 2r3s s GLU 190 N -0.68 3.49 -0.14 0.00 0.41 -0.25 -4.89 118.70 116.65 2r3s s GLU 190 Ca 0.41 -0.58 -0.02 0.00 -0.41 0.00 0.00 54.97 54.36 2r3s s GLU 190 Cb -0.24 -2.78 -0.03 0.00 -1.78 0.00 0.00 34.13 29.30 2r3s s GLU 190 CO 0.29 0.27 -0.06 0.42 -0.49 0.00 0.00 175.26 175.69 2r3s s ILE 191 N 0.25 3.74 -0.20 -1.63 -1.09 0.37 -1.06 121.20 121.59 2r3s s ILE 191 Ca -0.05 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 2r3s s ILE 191 Cb -0.15 -2.61 0.02 0.00 -1.58 0.00 0.00 42.46 38.14 2r3s s ILE 191 CO 0.04 0.52 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.75 2r3s s PHE 192 N 0.13 2.87 -0.18 3.97 0.40 0.13 0.04 117.98 125.35 2r3s s PHE 192 Ca -0.02 -1.56 -0.08 0.00 -0.60 0.00 0.00 56.93 54.67 2r3s s PHE 192 Cb -0.14 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 2r3s s PHE 192 CO 0.03 -0.76 0.09 0.20 0.70 0.00 0.00 175.22 175.48 2r3s s GLY 193 N 1.31 1.97 -0.21 4.36 0.00 0.21 0.24 107.32 115.21 2r3s s GLY 193 Ca 0.04 -0.72 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 2r3s s GLY 193 CO -0.10 0.02 -0.06 0.14 0.00 0.00 0.00 173.10 173.10 2r3s s VAL 194 N 0.18 3.26 0.24 1.40 1.01 -0.42 -0.77 120.40 125.31 2r3s s VAL 194 Ca 0.06 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 2r3s s VAL 194 Cb -0.12 -2.47 0.06 0.00 0.00 0.00 0.00 36.38 33.84 2r3s s VAL 194 CO -0.00 0.44 0.74 -0.67 0.00 0.00 0.00 175.10 175.61 2r3s n ASP 195 N 4.73 -1.68 -4.75 3.32 -0.08 -1.22 -0.98 116.55 115.90 2r3s n ASP 195 Ca -0.18 -2.05 -0.37 0.00 -1.51 0.00 0.00 54.79 50.68 2r3s n ASP 195 Cb 0.51 2.77 0.03 0.00 2.34 0.00 0.00 41.12 46.77 2r3s n ASP 195 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 2r3s s TRP 196 N -3.11 2.39 0.22 -0.67 0.52 -1.25 -1.02 118.94 116.02 2r3s s TRP 196 Ca 0.16 1.48 -0.08 0.00 0.02 0.00 0.00 56.10 57.67 2r3s s TRP 196 Cb -0.03 -3.58 0.30 0.00 -1.15 0.00 0.00 33.47 29.01 2r3s s TRP 196 CO 0.07 -2.38 1.77 0.00 0.02 0.00 0.00 176.95 176.43 2r3s h ALA 197 N 1.15 0.89 0.00 0.98 0.00 -1.92 -1.02 119.26 119.35 2r3s h ALA 197 Ca -0.50 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2r3s h ALA 197 Cb 1.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2r3s h ALA 197 CO 0.56 -0.10 -0.14 0.66 0.00 0.00 0.00 179.25 180.24 2r3s h SER 198 N 0.53 0.00 0.14 0.00 4.64 -1.97 -2.85 113.55 114.05 2r3s h SER 198 Ca 0.33 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.43 2r3s h SER 198 Cb 0.35 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.47 2r3s h SER 198 CO -0.27 0.14 -0.95 0.58 -0.87 0.00 0.00 176.83 175.46 2r3s h VAL 199 N 0.00 1.44 -0.02 0.95 2.07 -1.58 -3.26 116.25 115.85 2r3s h VAL 199 Ca -0.00 -2.51 0.01 0.00 0.82 0.00 0.00 66.70 65.02 2r3s h VAL 199 Cb 0.45 3.06 -0.00 0.00 -1.52 0.00 0.00 31.29 33.28 2r3s h VAL 199 CO 0.02 0.72 0.07 -0.07 0.02 0.00 0.00 177.57 178.33 2r3s h LEU 200 N -0.19 0.00 -0.69 2.57 3.38 -1.17 -0.40 115.31 118.81 2r3s h LEU 200 Ca -0.16 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.88 2r3s h LEU 200 Cb 1.72 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.41 2r3s h LEU 200 CO 0.18 0.00 0.37 -0.33 0.09 0.00 0.00 178.44 178.75 2r3s h GLU 201 N 0.00 0.64 -0.01 1.13 5.08 -1.55 0.88 114.58 120.75 2r3s h GLU 201 Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2r3s h GLU 201 Cb 0.14 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2r3s h GLU 201 CO -0.00 0.42 0.00 0.28 -1.00 0.00 0.00 179.01 178.71 2r3s h VAL 202 N 0.66 1.22 -0.71 3.13 2.07 -1.23 -1.95 116.25 119.44 2r3s h VAL 202 Ca 0.32 -0.64 0.11 0.00 0.82 0.00 0.00 66.70 67.31 2r3s h VAL 202 Cb 0.26 1.63 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 2r3s h VAL 202 CO -0.22 0.17 0.33 0.00 0.02 0.00 0.00 177.57 177.87 2r3s h ALA 203 N 0.73 0.98 -0.33 1.67 0.00 -1.39 0.15 119.26 121.08 2r3s h ALA 203 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2r3s h ALA 203 Cb 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2r3s h ALA 203 CO 0.00 -0.11 0.10 0.87 0.00 0.00 0.00 179.25 180.11 2r3s h LYS 204 N 0.54 0.51 -0.81 0.00 1.57 -0.79 0.37 116.57 117.95 2r3s h LYS 204 Ca 0.36 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2r3s h LYS 204 Cb 0.44 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 2r3s h LYS 204 CO -0.31 0.55 0.51 1.49 -0.57 0.00 0.00 179.45 181.12 2r3s h GLU 205 N 0.38 1.09 -0.42 3.15 4.57 -0.66 0.59 114.58 123.28 2r3s h GLU 205 Ca 0.11 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 2r3s h GLU 205 Cb 0.26 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 2r3s h GLU 205 CO -0.00 0.75 -0.08 -0.91 -1.18 0.00 0.00 179.01 177.59 2r3s h ASN 206 N 1.11 0.71 -0.37 1.04 2.35 -0.46 0.43 115.58 120.38 2r3s h ASN 206 Ca 0.29 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2r3s h ASN 206 Cb -0.07 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 2r3s h ASN 206 CO -0.06 0.83 0.14 0.00 -1.65 0.00 0.00 177.43 176.69 2r3s h ALA 207 N 1.24 0.49 0.15 -0.83 0.00 -0.36 -1.27 119.26 118.67 2r3s h ALA 207 Ca 0.12 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2r3s h ALA 207 Cb 0.53 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2r3s h ALA 207 CO 0.03 0.10 -0.42 -0.09 0.00 0.00 0.00 179.25 178.86 2r3s h ARG 208 N 0.46 -0.65 -0.97 0.00 1.12 -0.68 -1.66 114.38 111.99 2r3s h ARG 208 Ca 0.12 0.04 0.20 0.00 -1.11 0.00 0.00 59.98 59.24 2r3s h ARG 208 Cb 0.20 0.15 -0.09 0.00 -0.01 0.00 0.00 29.97 30.23 2r3s h ARG 208 CO -0.01 -0.44 0.62 0.82 -3.11 0.00 0.00 179.97 177.85 2r3s h ILE 209 N -0.68 0.68 -0.00 1.20 2.04 -0.76 -2.32 117.51 117.67 2r3s h ILE 209 Ca 0.01 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2r3s h ILE 209 Cb 0.69 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2r3s h ILE 209 CO -0.23 0.10 -0.31 0.00 0.00 0.00 0.00 178.15 177.71 2r3s n GLN 210 N -4.63 0.26 -0.90 2.37 1.13 -0.49 -4.95 117.38 110.17 2r3s n GLN 210 Ca 0.22 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 2r3s n GLN 210 Cb 0.66 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.52 2r3s n GLN 210 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2r3s n GLY 211 N 1.44 0.97 0.29 1.08 0.00 -0.70 -4.97 105.19 103.29 2r3s n GLY 211 Ca 0.08 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.61 2r3s n GLY 211 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2r3s n VAL 212 N -2.59 0.55 -0.31 1.61 0.24 -0.73 -4.86 118.33 112.23 2r3s n VAL 212 Ca 0.00 -0.65 0.08 0.00 -2.04 0.00 0.00 64.34 61.73 2r3s n VAL 212 Cb 0.18 0.37 0.29 0.00 -1.47 0.00 0.00 33.84 33.22 2r3s n VAL 212 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2r3s h ALA 213 N 0.00 1.64 0.00 2.33 0.00 -1.83 -1.08 119.26 120.31 2r3s h ALA 213 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2r3s h ALA 213 Cb 1.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2r3s h ALA 213 CO 0.00 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 2r3s n SER 214 N -4.57 0.58 -0.58 0.00 3.41 -1.26 -2.02 113.62 109.17 2r3s n SER 214 Ca 0.17 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.50 2r3s n SER 214 Cb 0.37 -0.76 0.20 0.00 -0.26 0.00 0.00 64.21 63.76 2r3s n SER 214 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2r3s n ARG 215 N -2.13 2.46 -4.08 4.33 1.74 -0.43 -4.94 116.66 113.61 2r3s n ARG 215 Ca 0.03 -2.62 -0.33 0.00 -0.77 0.00 0.00 57.85 54.16 2r3s n ARG 215 Cb 0.24 -1.64 -0.16 0.00 -1.02 0.00 0.00 32.46 29.88 2r3s n ARG 215 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2r3s s TYR 216 N -2.56 2.93 0.12 -1.55 5.04 -0.85 -0.48 117.35 119.99 2r3s s TYR 216 Ca 0.35 -1.77 0.09 0.00 -2.44 0.00 0.00 57.07 53.31 2r3s s TYR 216 Cb 0.28 -1.94 -0.04 0.00 0.35 0.00 0.00 41.96 40.61 2r3s s TYR 216 CO 0.07 -0.81 -0.23 -1.01 -1.34 0.00 0.00 175.55 172.24 2r3s s HIS 217 N 1.26 1.99 0.02 4.97 3.76 0.11 -4.94 115.29 122.45 2r3s s HIS 217 Ca 0.01 -0.41 0.08 0.00 -0.15 0.00 0.00 55.06 54.60 2r3s s HIS 217 Cb -0.15 -1.08 -0.02 0.00 1.11 0.00 0.00 32.58 32.44 2r3s s HIS 217 CO -0.10 0.27 -0.24 0.95 -0.85 0.00 0.00 174.74 174.76 2r3s s THR 218 N -1.17 1.96 -0.35 1.30 -4.23 -1.26 -0.62 115.64 111.26 2r3s s THR 218 Ca 0.10 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.40 2r3s s THR 218 Cb -0.10 -1.67 0.11 0.00 1.34 0.00 0.00 72.50 72.18 2r3s s THR 218 CO 0.05 0.39 0.10 -0.63 -0.54 0.00 0.00 174.62 173.99 2r3s s ILE 219 N -0.72 1.79 0.27 2.99 1.01 0.05 -4.91 121.20 121.69 2r3s s ILE 219 Ca 0.10 -2.15 -0.29 0.00 0.00 0.00 0.00 60.65 58.31 2r3s s ILE 219 Cb -0.09 -2.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.96 2r3s s ILE 219 CO 0.01 -0.66 0.95 0.00 0.00 0.00 0.00 174.94 175.24 2r3s s ALA 220 N 0.98 3.30 0.00 9.38 0.00 -1.26 -3.38 121.76 130.78 2r3s s ALA 220 Ca 0.12 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2r3s s ALA 220 Cb -0.19 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2r3s s ALA 220 CO -0.12 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2r3s n GLY 221 N 1.16 0.58 3.73 0.00 0.00 -0.19 -4.92 105.19 105.56 2r3s n GLY 221 Ca -0.01 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 2r3s n GLY 221 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2r3s s SER 222 N -3.30 6.85 0.66 1.61 0.15 -1.26 -3.80 113.70 114.61 2r3s s SER 222 Ca 0.00 2.42 0.44 0.00 0.70 0.00 0.00 55.95 59.51 2r3s s SER 222 Cb 0.00 -2.61 2.36 0.00 -1.71 0.00 0.00 66.02 64.06 2r3s s SER 222 CO 0.00 -0.58 2.34 0.00 1.20 0.00 0.00 173.24 176.21 2r3s h ALA 223 N 5.62 1.00 0.00 5.45 0.00 -1.93 -1.03 119.26 128.36 2r3s h ALA 223 Ca -0.44 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2r3s h ALA 223 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2r3s h ALA 223 CO 0.79 0.00 -0.84 0.74 0.00 0.00 0.00 179.25 179.94 2r3s h PHE 224 N 0.00 0.00 0.00 0.00 0.04 -2.01 -3.41 116.94 111.57 2r3s h PHE 224 Ca 0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 2r3s h PHE 224 Cb 0.03 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 2r3s h PHE 224 CO 0.00 0.00 -1.81 0.39 -0.60 0.00 0.00 178.31 176.29 2r3s n GLU 225 N -2.75 0.36 -1.21 1.51 4.71 -0.48 -5.04 120.64 117.74 2r3s n GLU 225 Ca 0.01 0.08 -0.34 0.00 -0.01 0.00 0.00 57.16 56.90 2r3s n GLU 225 Cb 0.55 -1.28 0.12 0.00 -1.01 0.00 0.00 31.44 29.82 2r3s n GLU 225 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2r3s s VAL 226 N -2.29 2.11 -0.19 2.62 -7.23 -0.66 -4.97 120.40 109.79 2r3s s VAL 226 Ca -0.19 0.05 -0.19 0.00 -1.81 0.00 0.00 61.98 59.84 2r3s s VAL 226 Cb 0.05 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 2r3s s VAL 226 CO 0.33 -0.03 0.55 -1.81 -0.31 0.00 0.00 175.10 173.82 2r3s s ASP 227 N -2.11 6.61 0.18 4.85 1.01 -1.26 -4.96 116.67 120.99 2r3s s ASP 227 Ca 0.74 0.74 0.12 0.00 0.71 0.00 0.00 52.55 54.85 2r3s s ASP 227 Cb -0.29 -2.31 -0.08 0.00 1.01 0.00 0.00 42.92 41.25 2r3s s ASP 227 CO 0.49 -0.19 1.29 1.88 0.21 0.00 0.00 175.17 178.85 2r3s h TYR 228 N 7.40 0.00 0.00 4.23 0.05 -1.96 -3.51 116.97 123.18 2r3s h TYR 228 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.44 2r3s h TYR 228 Cb 1.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.89 2r3s h TYR 228 CO 0.70 0.74 0.00 0.41 -1.05 0.00 0.00 178.16 178.96 2r3s n GLY 229 N 1.31 -1.36 0.81 3.88 0.00 -1.26 -5.07 105.19 103.49 2r3s n GLY 229 Ca -0.01 -1.49 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 2r3s n GLY 229 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2r3s n ASN 230 N 0.14 -0.45 -1.34 1.61 0.23 -1.26 -4.51 115.26 109.68 2r3s n ASN 230 Ca 0.00 -1.37 -0.12 0.00 -0.53 0.00 0.00 54.58 52.56 2r3s n ASN 230 Cb 0.00 0.76 -0.01 0.00 -2.08 0.00 0.00 39.78 38.45 2r3s n ASN 230 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2r3s n ASP 231 N -1.38 -3.88 -4.69 0.53 9.92 -0.79 -4.96 116.55 111.30 2r3s n ASP 231 Ca -0.01 0.01 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 2r3s n ASP 231 Cb 0.13 -3.05 -0.03 0.00 -0.64 0.00 0.00 41.12 37.53 2r3s n ASP 231 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2r3s s TYR 232 N -2.59 3.53 -0.01 1.24 2.02 -0.75 -4.49 117.35 116.30 2r3s s TYR 232 Ca 0.00 1.57 0.19 0.00 -0.37 0.00 0.00 57.07 58.46 2r3s s TYR 232 Cb 0.00 -3.14 0.47 0.00 -0.40 0.00 0.00 41.96 38.89 2r3s s TYR 232 CO 0.00 -0.18 1.63 -0.44 -1.57 0.00 0.00 175.55 174.99 2r3s h ASP 233 N 7.05 0.00 -2.94 2.29 3.32 -1.34 -0.11 116.42 124.70 2r3s h ASP 233 Ca -0.33 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.65 2r3s h ASP 233 Cb 1.16 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.46 2r3s h ASP 233 CO 0.83 0.37 -0.24 -0.22 -1.72 0.00 0.00 179.24 178.27 2r3s s LEU 234 N -6.69 -0.46 -0.22 1.55 2.96 -1.08 -2.48 118.68 112.27 2r3s s LEU 234 Ca 0.02 1.09 0.02 0.00 -0.22 0.00 0.00 54.13 55.04 2r3s s LEU 234 Cb 0.09 1.62 0.04 0.00 0.50 0.00 0.00 46.19 48.44 2r3s s LEU 234 CO 0.70 -0.21 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.68 2r3s s VAL 235 N 1.81 2.06 -0.07 1.68 1.01 -0.12 -1.28 120.40 125.49 2r3s s VAL 235 Ca -0.08 -1.26 -0.15 0.00 0.00 0.00 0.00 61.98 60.50 2r3s s VAL 235 Cb -0.09 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 2r3s s VAL 235 CO -0.15 0.24 0.38 -0.76 0.00 0.00 0.00 175.10 174.82 2r3s s LEU 236 N 1.22 4.38 -0.62 3.92 1.43 0.42 -0.98 118.68 128.44 2r3s s LEU 236 Ca -0.02 0.80 0.05 0.00 -1.03 0.00 0.00 54.13 53.93 2r3s s LEU 236 Cb -0.16 -2.53 0.18 0.00 0.03 0.00 0.00 46.19 43.70 2r3s s LEU 236 CO -0.09 0.21 0.48 0.18 0.23 0.00 0.00 176.35 177.36 2r3s n LEU 237 N 2.62 2.13 -4.67 1.79 4.77 -0.09 -1.21 117.00 122.34 2r3s n LEU 237 Ca -0.12 -5.01 -0.42 0.00 -0.03 0.00 0.00 56.01 50.43 2r3s n LEU 237 Cb 0.52 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2r3s n LEU 237 CO 0.39 1.81 0.67 -2.16 -1.33 0.00 0.00 177.39 176.77 2r3s s PRO 238 N -1.16 4.29 -1.60 3.23 0.05 -1.26 -2.00 135.00 136.54 2r3s s PRO 238 Ca 0.28 1.08 -0.11 0.00 0.05 0.00 0.00 61.00 62.31 2r3s s PRO 238 Cb -0.00 -3.59 0.09 0.00 0.05 0.00 0.00 34.50 31.05 2r3s s PRO 238 CO -0.16 -0.39 0.55 0.09 0.05 0.00 0.00 177.00 177.13 2r3s n ASN 239 N 5.46 -1.68 -0.05 6.66 3.02 0.12 -4.85 115.26 123.94 2r3s n ASN 239 Ca 0.06 -1.06 -0.10 0.00 -0.03 0.00 0.00 54.58 53.45 2r3s n ASN 239 Cb 0.48 -2.61 -0.04 0.00 -0.61 0.00 0.00 39.78 37.00 2r3s n ASN 239 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2r3s n PHE 240 N -4.39 0.00 0.13 3.10 7.35 -1.26 -4.83 117.46 117.56 2r3s n PHE 240 Ca -0.10 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.60 2r3s n PHE 240 Cb 0.58 -0.36 0.32 0.00 0.35 0.00 0.00 39.48 40.37 2r3s n PHE 240 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2r3s h LEU 241 N -0.29 0.15 -2.28 -2.13 3.38 -1.88 -2.87 115.31 109.39 2r3s h LEU 241 Ca -0.25 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2r3s h LEU 241 Cb 1.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2r3s h LEU 241 CO -0.13 0.46 0.18 1.12 0.09 0.00 0.00 178.44 180.16 2r3s h HIS 242 N 0.14 0.00 0.00 1.13 2.07 -1.88 -2.53 115.15 114.08 2r3s h HIS 242 Ca 0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2r3s h HIS 242 Cb 0.62 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.60 2r3s h HIS 242 CO 0.01 0.00 0.00 0.45 -3.07 0.00 0.00 177.93 175.32 2r3s h HIS 243 N 0.00 0.00 -2.96 6.12 3.86 -1.76 0.48 115.15 120.90 2r3s h HIS 243 Ca 0.00 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.57 2r3s h HIS 243 Cb 0.36 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 28.66 2r3s h HIS 243 CO 0.00 0.00 -0.78 -0.06 0.86 0.00 0.00 177.93 177.95 2r3s s PHE 244 N -3.45 2.39 1.09 2.45 0.08 -0.95 -3.12 117.98 116.46 2r3s s PHE 244 Ca 0.04 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.65 2r3s s PHE 244 Cb 0.08 -1.15 0.24 0.00 -0.57 0.00 0.00 43.02 41.62 2r3s s PHE 244 CO 0.55 0.54 1.06 0.16 -0.10 0.00 0.00 175.22 177.43 2r3s s ASP 245 N -2.88 1.62 0.27 1.36 1.47 -1.16 -4.44 116.67 112.91 2r3s s ASP 245 Ca 0.24 1.60 -0.04 0.00 1.18 0.00 0.00 52.55 55.52 2r3s s ASP 245 Cb -0.08 -2.30 0.33 0.00 -0.34 0.00 0.00 42.92 40.54 2r3s s ASP 245 CO 0.12 -3.81 1.93 0.58 0.68 0.00 0.00 175.17 174.67 2r3s h VAL 246 N -2.36 1.24 -0.26 2.11 2.07 -1.96 -1.53 116.25 115.57 2r3s h VAL 246 Ca -0.57 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 2r3s h VAL 246 Cb 1.32 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2r3s h VAL 246 CO 0.50 0.24 0.08 0.00 0.02 0.00 0.00 177.57 178.40 2r3s h ALA 247 N 1.40 0.34 -0.74 1.67 0.00 -1.98 -0.73 119.26 119.22 2r3s h ALA 247 Ca 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2r3s h ALA 247 Cb -0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2r3s h ALA 247 CO -0.07 -0.03 0.39 1.15 0.00 0.00 0.00 179.25 180.70 2r3s h THR 248 N 0.25 1.23 -0.69 0.00 2.02 -1.89 0.24 112.91 114.07 2r3s h THR 248 Ca 0.08 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 2r3s h THR 248 Cb 0.25 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2r3s h THR 248 CO -0.00 0.26 0.30 0.00 0.37 0.00 0.00 175.52 176.44 2r3s h GLU 250 N 0.98 0.42 -0.66 0.00 5.08 -0.46 0.86 114.58 120.80 2r3s h GLU 250 Ca 0.23 -0.18 0.14 0.00 -1.00 0.00 0.00 59.36 58.56 2r3s h GLU 250 Cb 0.15 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.27 2r3s h GLU 250 CO -0.03 0.70 0.00 0.37 -1.00 0.00 0.00 179.01 179.06 2r3s h GLN 251 N 0.12 0.11 -0.41 2.33 4.15 -0.39 -1.19 115.11 119.82 2r3s h GLN 251 Ca 0.05 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 2r3s h GLN 251 Cb 0.57 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 2r3s h GLN 251 CO 0.03 0.07 -0.03 1.25 -1.93 0.00 0.00 178.83 178.23 2r3s h LEU 252 N 0.11 0.73 -1.43 -2.39 5.85 -0.95 -2.81 115.31 114.43 2r3s h LEU 252 Ca 0.35 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2r3s h LEU 252 Cb 0.58 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2r3s h LEU 252 CO -0.57 0.88 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.06 2r3s h LEU 253 N 0.57 0.00 -0.18 2.25 3.38 -0.10 -1.00 115.31 120.24 2r3s h LEU 253 Ca 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2r3s h LEU 253 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2r3s h LEU 253 CO 0.03 0.28 -0.22 0.03 0.09 0.00 0.00 178.44 178.64 2r3s h ARG 254 N 0.00 0.47 -0.54 1.13 3.08 -1.13 -1.23 114.38 116.16 2r3s h ARG 254 Ca -0.00 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 59.82 2r3s h ARG 254 Cb 0.57 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 2r3s h ARG 254 CO 0.04 0.85 0.29 -0.22 -1.07 0.00 0.00 179.97 179.86 2r3s h LYS 255 N 0.12 0.55 -0.90 0.04 3.64 -1.23 -1.64 116.57 117.15 2r3s h LYS 255 Ca 0.02 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2r3s h LYS 255 Cb 0.78 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 2r3s h LYS 255 CO 0.05 0.37 0.55 0.82 -2.27 0.00 0.00 179.45 178.97 2r3s h ILE 256 N 0.57 1.25 -0.34 2.00 2.04 -1.14 -2.84 117.51 119.05 2r3s h ILE 256 Ca 0.23 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2r3s h ILE 256 Cb 0.11 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 2r3s h ILE 256 CO -0.14 0.26 0.17 0.50 0.00 0.00 0.00 178.15 178.94 2r3s h LYS 257 N 1.24 0.49 -0.79 2.37 3.64 -0.29 -2.20 116.57 121.02 2r3s h LYS 257 Ca 0.32 -0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.77 2r3s h LYS 257 Cb -0.06 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 31.59 2r3s h LYS 257 CO -0.06 0.43 0.39 1.15 -2.27 0.00 0.00 179.45 179.09 2r3s h THR 258 N 0.42 0.74 0.00 1.00 2.02 -1.25 -2.21 112.91 113.63 2r3s h THR 258 Ca 0.12 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2r3s h THR 258 Cb 0.10 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 2r3s h THR 258 CO -0.02 0.11 0.00 0.00 0.37 0.00 0.00 175.52 175.98 2r3s n ALA 259 N -2.44 1.93 -1.81 6.16 0.00 -0.87 -4.79 120.51 118.70 2r3s n ALA 259 Ca 0.15 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.28 2r3s n ALA 259 Cb 0.39 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 2r3s n ALA 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2r3s s LEU 260 N -4.25 3.88 1.04 0.00 1.43 -0.83 -1.81 118.68 118.13 2r3s s LEU 260 Ca 0.07 1.80 -0.15 0.00 -1.03 0.00 0.00 54.13 54.82 2r3s s LEU 260 Cb 0.11 -4.55 0.21 0.00 0.03 0.00 0.00 46.19 41.99 2r3s s LEU 260 CO 0.46 -0.59 1.16 0.00 0.23 0.00 0.00 176.35 177.61 2r3s s ALA 261 N -2.11 1.34 0.18 4.21 0.00 -0.05 -4.41 121.76 120.92 2r3s s ALA 261 Ca 0.64 -0.79 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 2r3s s ALA 261 Cb -0.13 -2.94 0.13 0.00 0.00 0.00 0.00 23.12 20.18 2r3s s ALA 261 CO 0.17 -2.85 1.62 0.28 0.00 0.00 0.00 175.76 174.99 2r3s h VAL 262 N -1.96 0.36 -0.90 0.00 2.07 -1.96 -1.20 116.25 112.67 2r3s h VAL 262 Ca -0.48 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.50 2r3s h VAL 262 Cb 1.30 0.36 -0.28 0.00 -1.52 0.00 0.00 31.29 31.15 2r3s h VAL 262 CO 0.47 0.00 0.54 1.21 0.02 0.00 0.00 177.57 179.81 2r3s n GLU 263 N -5.40 2.45 -1.69 1.57 4.07 -1.26 -4.85 120.64 115.53 2r3s n GLU 263 Ca 0.03 -3.22 -0.32 0.00 -0.06 0.00 0.00 57.16 53.59 2r3s n GLU 263 Cb 0.31 -2.18 0.05 0.00 -0.06 0.00 0.00 31.44 29.56 2r3s n GLU 263 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2r3s s GLY 264 N -1.82 2.00 0.00 8.31 0.00 -0.46 -4.90 107.32 110.46 2r3s s GLY 264 Ca 0.58 0.41 0.01 0.00 0.00 0.00 0.00 44.72 45.72 2r3s s GLY 264 CO 0.05 0.75 -0.04 0.54 0.00 0.00 0.00 173.10 174.40 2r3s s LYS 265 N -4.35 0.31 -0.15 2.90 1.02 -1.04 -2.49 119.74 115.95 2r3s s LYS 265 Ca 0.64 -0.17 -0.04 0.00 0.02 0.00 0.00 55.97 56.42 2r3s s LYS 265 Cb -0.18 -0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 36.82 2r3s s LYS 265 CO 0.45 0.07 -0.02 0.08 -0.92 0.00 0.00 175.35 175.02 2r3s s VAL 266 N -0.18 4.10 -0.28 3.17 1.01 -0.57 -0.94 120.40 126.70 2r3s s VAL 266 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2r3s s VAL 266 Cb -0.02 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.58 2r3s s VAL 266 CO -0.00 0.51 0.03 -0.63 0.00 0.00 0.00 175.10 175.01 2r3s s ILE 267 N 0.14 3.60 -0.13 2.22 1.01 -0.15 -0.81 121.20 127.07 2r3s s ILE 267 Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 2r3s s ILE 267 Cb -0.13 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2r3s s ILE 267 CO 0.02 0.14 0.42 -0.69 0.00 0.00 0.00 174.94 174.82 2r3s s VAL 268 N 1.44 5.22 -0.18 2.92 1.01 0.26 -0.92 120.40 130.16 2r3s s VAL 268 Ca 0.02 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.83 2r3s s VAL 268 Cb -0.17 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.49 2r3s s VAL 268 CO 0.00 0.36 -0.14 0.12 0.00 0.00 0.00 175.10 175.44 2r3s s PHE 269 N 0.50 2.43 0.21 5.22 5.36 -0.85 -1.50 117.98 129.35 2r3s s PHE 269 Ca 0.23 -1.48 -0.22 0.00 -0.96 0.00 0.00 56.93 54.50 2r3s s PHE 269 Cb -0.14 -1.69 0.07 0.00 -0.34 0.00 0.00 43.02 40.91 2r3s s PHE 269 CO 0.08 -0.73 0.98 0.34 -1.46 0.00 0.00 175.22 174.44 2r3s s ASP 270 N 1.40 -0.04 -0.45 6.13 -1.08 -0.73 0.15 116.67 122.05 2r3s s ASP 270 Ca 0.02 -0.68 -0.24 0.00 -0.52 0.00 0.00 52.55 51.14 2r3s s ASP 270 Cb -0.14 0.55 0.03 0.00 -1.46 0.00 0.00 42.92 41.89 2r3s s ASP 270 CO -0.10 -1.07 0.81 -0.36 0.52 0.00 0.00 175.17 174.97 2r3s s PHE 271 N -2.46 2.98 -0.48 -5.34 0.08 -1.26 -0.98 117.98 110.52 2r3s s PHE 271 Ca 0.19 0.22 0.03 0.00 0.12 0.00 0.00 56.93 57.49 2r3s s PHE 271 Cb -0.03 -3.71 0.12 0.00 -0.57 0.00 0.00 43.02 38.84 2r3s s PHE 271 CO 0.05 -1.00 0.22 0.42 -0.10 0.00 0.00 175.22 174.82 2r3s s ILE 272 N 3.37 2.68 0.70 0.64 1.01 -1.26 -4.10 121.20 124.24 2r3s s ILE 272 Ca 0.31 -2.96 -0.16 0.00 0.00 0.00 0.00 60.65 57.85 2r3s s ILE 272 Cb -0.12 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.50 2r3s s ILE 272 CO 0.23 -0.75 1.19 -2.16 0.00 0.00 0.00 174.94 173.45 2r3s s PRO 273 N 0.12 2.35 1.03 2.79 0.04 -1.26 -4.81 135.00 135.26 2r3s s PRO 273 Ca 0.15 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 2r3s s PRO 273 Cb -0.23 -1.86 0.20 0.00 0.04 0.00 0.00 34.50 32.64 2r3s s PRO 273 CO -0.03 -1.67 0.99 0.09 0.04 0.00 0.00 177.00 176.42 2r3s n ASN 274 N -2.52 -0.78 0.33 6.66 3.02 0.15 -4.28 115.26 117.84 2r3s n ASN 274 Ca 0.13 0.16 0.21 0.00 -0.03 0.00 0.00 54.58 55.05 2r3s n ASN 274 Cb 0.50 -1.35 1.11 0.00 -0.61 0.00 0.00 39.78 39.43 2r3s n ASN 274 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2r3s h SER 275 N -2.20 0.00 0.76 6.41 4.64 -1.96 -0.69 113.55 120.52 2r3s h SER 275 Ca -0.51 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2r3s h SER 275 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2r3s h SER 275 CO 0.43 0.00 -0.02 -2.24 -0.87 0.00 0.00 176.83 174.14 2r3s h ASP 276 N 0.00 0.00 -1.04 4.97 3.04 -1.90 -3.46 116.42 118.02 2r3s h ASP 276 Ca 0.01 0.00 -0.37 0.00 -3.24 0.00 0.00 57.03 53.42 2r3s h ASP 276 Cb 0.13 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 38.28 2r3s h ASP 276 CO -0.00 0.02 -0.35 0.54 -2.04 0.00 0.00 179.24 177.40 2r3s n ARG 277 N -3.13 -1.29 0.00 4.15 1.74 -0.27 -4.80 116.66 113.06 2r3s n ARG 277 Ca -0.00 1.12 0.00 0.00 -0.77 0.00 0.00 57.85 58.20 2r3s n ARG 277 Cb 0.26 -5.42 0.00 0.00 -1.02 0.00 0.00 32.46 26.28 2r3s n ARG 277 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2r3s n ILE 278 N -2.62 0.00 -4.11 0.55 -5.35 -1.26 -4.83 119.36 101.73 2r3s n ILE 278 Ca -0.19 -0.25 -0.14 0.00 -0.27 0.00 0.00 62.75 61.91 2r3s n ILE 278 Cb 0.61 1.01 -0.11 0.00 -1.74 0.00 0.00 39.64 39.40 2r3s n ILE 278 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2r3s s THR 279 N -0.48 0.71 0.66 7.28 -4.23 -1.26 -3.83 115.64 114.49 2r3s s THR 279 Ca 0.00 -1.35 -0.17 0.00 -1.18 0.00 0.00 61.69 59.00 2r3s s THR 279 Cb 0.00 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.87 2r3s s THR 279 CO 0.00 -0.47 1.20 -2.84 -0.54 0.00 0.00 174.62 171.97 2r3s s PRO 280 N -2.18 2.58 0.20 3.99 0.02 -1.26 0.32 135.00 138.67 2r3s s PRO 280 Ca -0.03 1.77 -0.11 0.00 0.02 0.00 0.00 61.00 62.65 2r3s s PRO 280 Cb -0.06 -1.89 0.22 0.00 0.02 0.00 0.00 34.50 32.80 2r3s s PRO 280 CO -0.00 -1.49 1.75 -1.35 -0.33 0.00 0.00 177.00 175.57 2r3s h PRO 281 N 0.28 0.40 -0.12 5.54 0.11 -1.99 -0.72 132.00 135.50 2r3s h PRO 281 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2r3s h PRO 281 Cb 1.29 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2r3s h PRO 281 CO 0.53 0.26 0.01 -0.44 -0.21 0.00 0.00 178.00 178.15 2r3s h ASP 282 N 0.41 0.19 -0.44 -2.05 3.32 -1.96 0.01 116.42 115.89 2r3s h ASP 282 Ca 0.27 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 57.10 2r3s h ASP 282 Cb 0.30 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 2r3s h ASP 282 CO -0.27 0.41 0.17 0.00 -1.72 0.00 0.00 179.24 177.84 2r3s h ALA 283 N 0.78 0.53 -0.04 3.45 0.00 -1.85 -3.01 119.26 119.13 2r3s h ALA 283 Ca 0.03 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2r3s h ALA 283 Cb 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2r3s h ALA 283 CO 0.00 -0.21 -0.68 0.00 0.00 0.00 0.00 179.25 178.36 2r3s h ALA 284 N 1.28 0.79 0.00 0.00 0.00 -1.02 -2.89 119.26 117.42 2r3s h ALA 284 Ca 0.20 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2r3s h ALA 284 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2r3s h ALA 284 CO -0.20 0.79 0.00 0.00 0.00 0.00 0.00 179.25 179.84 2r3s h ALA 285 N 1.18 1.00 0.00 0.00 0.00 -0.86 -3.07 119.26 117.51 2r3s h ALA 285 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2r3s h ALA 285 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2r3s h ALA 285 CO 0.10 0.00 -0.05 0.35 0.00 0.00 0.00 179.25 179.65 2r3s h PHE 286 N 0.00 0.00 -0.31 0.00 3.57 -1.41 -2.55 116.94 116.24 2r3s h PHE 286 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2r3s h PHE 286 Cb 0.35 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2r3s h PHE 286 CO 0.00 0.05 0.17 0.66 -2.23 0.00 0.00 178.31 176.95 2r3s h SER 287 N 0.00 0.37 -0.51 0.41 4.64 -1.74 -0.77 113.55 115.95 2r3s h SER 287 Ca -0.00 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 2r3s h SER 287 Cb 0.23 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2r3s h SER 287 CO 0.01 0.31 -0.07 0.25 -0.87 0.00 0.00 176.83 176.46 2r3s h LEU 288 N 0.43 0.96 -1.28 5.97 5.85 -1.71 -0.36 115.31 125.16 2r3s h LEU 288 Ca 0.11 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2r3s h LEU 288 Cb 0.02 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.79 2r3s h LEU 288 CO -0.02 1.05 0.00 0.52 -0.34 0.00 0.00 178.44 179.66 2r3s n VAL 289 N -4.16 0.00 0.00 1.05 0.31 -0.30 -1.16 118.33 114.07 2r3s n VAL 289 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2r3s n VAL 289 Cb 0.37 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 2r3s n VAL 289 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2r3s n LEU 291 N 0.56 0.00 0.15 7.52 7.94 -0.15 -1.79 117.00 131.23 2r3s n LEU 291 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2r3s n LEU 291 Cb 0.00 0.00 0.28 0.00 0.53 0.00 0.00 43.42 44.23 2r3s n LEU 291 CO 0.00 0.00 0.65 0.00 -1.11 0.00 0.00 177.39 176.93 2r3s h ALA 292 N 0.00 1.22 0.00 1.96 0.00 -1.41 -2.35 119.26 118.69 2r3s h ALA 292 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2r3s h ALA 292 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2r3s h ALA 292 CO 0.00 0.57 -0.60 0.25 0.00 0.00 0.00 179.25 179.47 2r3s n THR 293 N -4.01 0.00 -4.24 0.00 -2.24 -0.74 -4.44 114.28 98.61 2r3s n THR 293 Ca -0.02 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.34 2r3s n THR 293 Cb 0.47 0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 69.32 2r3s n THR 293 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2r3s s THR 294 N -1.67 1.31 0.18 4.28 -4.23 -1.26 -1.95 115.64 112.29 2r3s s THR 294 Ca 0.00 -1.71 -0.07 0.00 -1.18 0.00 0.00 61.69 58.73 2r3s s THR 294 Cb 0.01 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.31 2r3s s THR 294 CO 0.09 -0.43 1.53 -0.65 -0.54 0.00 0.00 174.62 174.62 2r3s h PRO 295 N 3.52 0.79 -0.04 3.99 0.11 -1.85 -1.00 132.00 137.53 2r3s h PRO 295 Ca -0.40 -0.41 -0.17 0.00 0.11 0.00 0.00 66.00 65.14 2r3s h PRO 295 Cb 1.20 0.01 -0.28 0.00 0.11 0.00 0.00 31.00 32.04 2r3s h PRO 295 CO 0.51 1.04 -0.72 -1.71 -0.21 0.00 0.00 178.00 176.91 2r3s n ASN 296 N -4.05 0.14 -4.77 -2.05 2.85 -1.26 -4.24 115.26 101.88 2r3s n ASN 296 Ca -0.02 -2.02 -0.29 0.00 -0.11 0.00 0.00 54.58 52.14 2r3s n ASN 296 Cb 0.53 -0.02 0.12 0.00 1.24 0.00 0.00 39.78 41.65 2r3s n ASN 296 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2r3s s GLY 297 N -1.73 1.61 0.08 8.20 0.00 -1.18 -2.99 107.32 111.30 2r3s s GLY 297 Ca 0.19 -0.27 -0.26 0.00 0.00 0.00 0.00 44.72 44.38 2r3s s GLY 297 CO -0.09 0.22 0.74 -0.35 0.00 0.00 0.00 173.10 173.62 2r3s s ASP 298 N -3.80 -0.47 -0.54 1.64 -1.08 0.17 -4.52 116.67 108.08 2r3s s ASP 298 Ca 0.62 0.01 -0.20 0.00 -0.52 0.00 0.00 52.55 52.46 2r3s s ASP 298 Cb -0.16 0.49 0.06 0.00 -1.46 0.00 0.00 42.92 41.86 2r3s s ASP 298 CO 0.55 -0.80 0.72 0.00 0.52 0.00 0.00 175.17 176.16 2r3s s ALA 299 N -3.42 3.33 0.12 3.66 0.00 -1.26 -4.42 121.76 119.78 2r3s s ALA 299 Ca 0.03 -1.73 -0.21 0.00 0.00 0.00 0.00 51.96 50.04 2r3s s ALA 299 Cb -0.01 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 2r3s s ALA 299 CO -0.11 -2.18 0.66 0.71 0.00 0.00 0.00 175.76 174.84 2r3s s TYR 300 N 2.97 3.83 0.77 0.00 2.02 -1.26 -4.72 117.35 120.97 2r3s s TYR 300 Ca 0.18 1.41 -0.12 0.00 -0.37 0.00 0.00 57.07 58.17 2r3s s TYR 300 Cb -0.19 -2.60 0.06 0.00 -0.40 0.00 0.00 41.96 38.83 2r3s s TYR 300 CO 0.12 0.54 1.13 0.95 -1.57 0.00 0.00 175.55 176.72 2r3s s THR 301 N -1.17 2.79 0.07 -0.71 -4.23 -1.26 -4.07 115.64 107.06 2r3s s THR 301 Ca 0.33 0.26 -0.24 0.00 -1.18 0.00 0.00 61.69 60.86 2r3s s THR 301 Cb -0.21 -3.19 -0.16 0.00 1.34 0.00 0.00 72.50 70.29 2r3s s THR 301 CO 0.22 -0.33 1.65 0.15 -0.54 0.00 0.00 174.62 175.77 2r3s h PHE 302 N -0.94 -0.00 -0.96 3.99 3.57 -1.90 -1.19 116.94 119.50 2r3s h PHE 302 Ca -0.46 -0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.29 2r3s h PHE 302 Cb 1.29 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.90 2r3s h PHE 302 CO 0.41 0.09 0.51 0.00 -2.23 0.00 0.00 178.31 177.09 2r3s h ALA 303 N 0.90 1.69 -0.35 2.41 0.00 -1.94 0.44 119.26 122.42 2r3s h ALA 303 Ca -0.00 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2r3s h ALA 303 Cb 0.09 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2r3s h ALA 303 CO 0.00 -0.37 -0.27 0.93 0.00 0.00 0.00 179.25 179.54 2r3s h GLU 304 N 0.45 0.79 -0.29 0.00 5.08 -1.73 -2.60 114.58 116.29 2r3s h GLU 304 Ca 0.63 -0.39 -0.17 0.00 -1.00 0.00 0.00 59.36 58.43 2r3s h GLU 304 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 2r3s h GLU 304 CO -0.53 1.02 -0.50 1.88 -1.00 0.00 0.00 179.01 179.88 2r3s h TYR 305 N 0.58 1.00 -0.79 4.33 0.05 -0.11 -3.05 116.97 118.98 2r3s h TYR 305 Ca 0.06 -0.34 0.08 0.00 0.05 0.00 0.00 58.73 58.59 2r3s h TYR 305 Cb 0.84 -0.20 -0.07 0.00 1.01 0.00 0.00 36.73 38.32 2r3s h TYR 305 CO 0.06 1.14 0.45 1.49 -1.05 0.00 0.00 178.16 180.25 2r3s h GLU 306 N 0.63 0.75 -1.53 4.88 4.81 -0.19 -1.56 114.58 122.38 2r3s h GLU 306 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2r3s h GLU 306 Cb 1.09 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2r3s h GLU 306 CO 0.11 0.50 0.00 0.45 -0.73 0.00 0.00 179.01 179.34 2r3s n SER 307 N -4.75 1.06 0.00 1.04 2.88 -0.98 -1.00 113.62 111.87 2r3s n SER 307 Ca 0.12 -0.75 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 2r3s n SER 307 Cb 0.24 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 2r3s n SER 307 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2r3s n PHE 309 N 0.77 0.00 -0.01 0.66 3.72 -0.59 -1.60 117.46 120.41 2r3s n PHE 309 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 2r3s n PHE 309 Cb 0.18 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 2r3s n PHE 309 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2r3s h SER 310 N 0.00 -0.50 0.54 4.37 0.87 -1.30 -1.16 113.55 116.38 2r3s h SER 310 Ca 0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2r3s h SER 310 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2r3s h SER 310 CO 0.00 -0.20 0.00 0.78 -0.53 0.00 0.00 176.83 176.88 2r3s h ASN 311 N -0.18 0.00 0.18 6.23 2.35 -1.56 -2.60 115.58 120.00 2r3s h ASN 311 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2r3s h ASN 311 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2r3s h ASN 311 CO -0.26 0.00 -0.32 0.00 -1.65 0.00 0.00 177.43 175.20 2r3s n ALA 312 N -1.95 3.21 0.00 -0.83 0.00 -0.89 -4.96 120.51 115.10 2r3s n ALA 312 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2r3s n ALA 312 Cb 0.19 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2r3s n ALA 312 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r3s n GLY 313 N 1.36 1.09 3.89 0.00 0.00 -0.97 -4.53 105.19 106.03 2r3s n GLY 313 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2r3s n GLY 313 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r3s s PHE 314 N -2.00 3.59 -0.12 1.61 0.40 -0.49 -4.98 117.98 115.99 2r3s s PHE 314 Ca 0.00 1.04 0.17 0.00 -0.60 0.00 0.00 56.93 57.53 2r3s s PHE 314 Cb 0.00 -2.50 -0.14 0.00 0.51 0.00 0.00 43.02 40.89 2r3s s PHE 314 CO 0.00 -0.46 0.80 -1.13 0.70 0.00 0.00 175.22 175.13 2r3s n SER 315 N -2.47 0.83 -3.64 1.36 3.41 -0.39 -4.50 113.62 108.22 2r3s n SER 315 Ca 0.03 0.37 -0.06 0.00 -0.26 0.00 0.00 58.87 58.95 2r3s n SER 315 Cb 0.55 0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 64.63 2r3s n SER 315 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2r3s s HIS 316 N -2.92 -0.49 0.02 7.33 5.65 -1.22 -5.01 115.29 118.65 2r3s s HIS 316 Ca -0.03 1.08 0.03 0.00 0.25 0.00 0.00 55.06 56.39 2r3s s HIS 316 Cb 0.09 0.36 -0.01 0.00 -1.18 0.00 0.00 32.58 31.83 2r3s s HIS 316 CO 0.81 -0.24 -0.09 -1.54 -0.65 0.00 0.00 174.74 173.04 2r3s s SER 317 N 0.70 1.03 -0.07 9.88 1.04 -1.26 -0.59 113.70 124.44 2r3s s SER 317 Ca -0.02 -0.33 -0.03 0.00 0.48 0.00 0.00 55.95 56.06 2r3s s SER 317 Cb -0.04 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.06 2r3s s SER 317 CO -0.11 -0.01 0.14 -1.58 0.98 0.00 0.00 173.24 172.67 2r3s s GLN 318 N -0.80 0.07 0.11 4.02 0.74 -0.22 -4.99 119.66 118.59 2r3s s GLN 318 Ca -0.01 0.40 -0.30 0.00 0.05 0.00 0.00 55.36 55.50 2r3s s GLN 318 Cb -0.06 -0.20 -0.06 0.00 1.10 0.00 0.00 33.01 33.78 2r3s s GLN 318 CO 0.00 -0.20 1.07 -1.17 -0.55 0.00 0.00 175.29 174.45 2r3s s LEU 319 N 1.40 4.45 -0.40 3.68 2.96 -1.26 -1.33 118.68 128.18 2r3s s LEU 319 Ca -0.07 1.94 0.03 0.00 -0.22 0.00 0.00 54.13 55.81 2r3s s LEU 319 Cb -0.12 -3.59 0.11 0.00 0.50 0.00 0.00 46.19 43.10 2r3s s LEU 319 CO -0.06 -0.24 0.14 -1.00 -1.32 0.00 0.00 176.35 173.87 2r3s s HIS 320 N 0.27 3.11 0.39 5.38 3.76 0.12 -4.96 115.29 123.35 2r3s s HIS 320 Ca 0.51 -2.81 0.20 0.00 -0.15 0.00 0.00 55.06 52.80 2r3s s HIS 320 Cb -0.27 -2.61 1.16 0.00 1.11 0.00 0.00 32.58 31.97 2r3s s HIS 320 CO 0.31 -0.86 1.72 1.03 -0.85 0.00 0.00 174.74 176.09 2r3s h SER 321 N 7.25 0.43 -6.06 1.40 0.87 -1.94 -1.04 113.55 114.45 2r3s h SER 321 Ca -0.06 0.12 -0.25 0.00 -1.23 0.00 0.00 61.79 60.37 2r3s h SER 321 Cb 0.97 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2r3s h SER 321 CO 0.56 -0.01 -0.66 0.18 -0.53 0.00 0.00 176.83 176.37 2r3s n LEU 322 N -4.73 -4.44 0.31 2.23 4.77 -1.26 -4.42 117.00 109.47 2r3s n LEU 322 Ca 0.29 -0.36 0.19 0.00 -0.03 0.00 0.00 56.01 56.11 2r3s n LEU 322 Cb 1.01 -2.43 1.01 0.00 -2.33 0.00 0.00 43.42 40.68 2r3s n LEU 322 CO 0.21 -0.54 1.11 -0.65 -1.33 0.00 0.00 177.39 176.20 2r3s h PRO 323 N 0.59 0.00 0.00 3.23 0.11 -1.91 -1.69 132.00 132.33 2r3s h PRO 323 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2r3s h PRO 323 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2r3s h PRO 323 CO 0.30 0.02 0.00 1.79 -0.21 0.00 0.00 178.00 179.90 2r3s h THR 324 N 0.00 0.00 -3.53 -1.15 1.35 -1.96 -3.46 112.91 104.16 2r3s h THR 324 Ca -0.00 -0.39 -0.37 0.00 -0.55 0.00 0.00 66.41 65.10 2r3s h THR 324 Cb 0.14 1.27 -0.17 0.00 -1.73 0.00 0.00 68.15 67.66 2r3s h THR 324 CO 0.00 0.00 -0.74 0.28 -0.25 0.00 0.00 175.52 174.81 2r3s s THR 325 N -3.49 1.20 0.24 6.82 -1.32 -0.63 -5.07 115.64 113.38 2r3s s THR 325 Ca 0.03 -1.81 -0.05 0.00 -1.21 0.00 0.00 61.69 58.65 2r3s s THR 325 Cb 0.09 -1.59 0.15 0.00 -1.51 0.00 0.00 72.50 69.64 2r3s s THR 325 CO 0.48 -0.55 1.78 -0.61 -2.21 0.00 0.00 174.62 173.51 2r3s h GLN 326 N 3.29 1.03 -6.53 7.08 4.15 -1.89 -3.45 115.11 118.79 2r3s h GLN 326 Ca -0.38 -0.22 -0.47 0.00 0.77 0.00 0.00 58.65 58.35 2r3s h GLN 326 Cb 1.19 -0.15 0.02 0.00 0.21 0.00 0.00 27.48 28.75 2r3s h GLN 326 CO 0.55 0.89 -0.17 -0.65 -1.93 0.00 0.00 178.83 177.53 2r3s s GLN 327 N -5.34 2.47 0.24 1.69 -0.21 -1.26 -4.86 119.66 112.38 2r3s s GLN 327 Ca -0.11 -1.54 0.12 0.00 0.02 0.00 0.00 55.36 53.85 2r3s s GLN 327 Cb 0.15 -2.64 -0.05 0.00 1.00 0.00 0.00 33.01 31.47 2r3s s GLN 327 CO 0.83 -0.65 -0.22 -0.65 -2.12 0.00 0.00 175.29 172.48 2r3s s GLN 328 N -4.53 1.59 -0.05 2.91 1.11 -0.15 -4.70 119.66 115.83 2r3s s GLN 328 Ca 0.58 -1.65 0.05 0.00 0.01 0.00 0.00 55.36 54.34 2r3s s GLN 328 Cb -0.07 -1.78 -0.02 0.00 -1.01 0.00 0.00 33.01 30.14 2r3s s GLN 328 CO 0.36 0.36 -0.20 0.08 0.01 0.00 0.00 175.29 175.90 2r3s s VAL 329 N -2.15 2.55 -0.18 1.09 1.01 -0.40 -1.77 120.40 120.55 2r3s s VAL 329 Ca 0.26 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 2r3s s VAL 329 Cb -0.06 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2r3s s VAL 329 CO 0.12 0.58 -0.10 -0.63 0.00 0.00 0.00 175.10 175.07 2r3s s ILE 330 N -0.42 3.04 -0.24 2.22 1.01 -0.56 0.13 121.20 126.37 2r3s s ILE 330 Ca 0.04 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 2r3s s ILE 330 Cb -0.12 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 2r3s s ILE 330 CO 0.02 0.48 0.26 -0.69 0.00 0.00 0.00 174.94 175.01 2r3s s VAL 331 N 1.05 5.28 0.04 2.92 1.01 -0.44 -0.58 120.40 129.69 2r3s s VAL 331 Ca -0.00 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.40 2r3s s VAL 331 Cb -0.15 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2r3s s VAL 331 CO -0.02 0.28 0.01 0.00 0.00 0.00 0.00 175.10 175.37 2r3s s ALA 332 N 1.36 3.32 -0.07 5.51 0.00 0.01 -1.06 121.76 130.83 2r3s s ALA 332 Ca 0.12 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.11 2r3s s ALA 332 Cb -0.14 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 2r3s s ALA 332 CO 0.07 0.68 -0.23 0.71 0.00 0.00 0.00 175.76 176.99 2r3s s TYR 333 N -1.20 2.34 -1.73 0.00 1.51 0.24 -1.52 117.35 117.00 2r3s s TYR 333 Ca 0.23 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 2r3s s TYR 333 Cb -0.12 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 2r3s s TYR 333 CO 0.15 -0.28 0.43 1.17 -1.11 0.00 0.00 175.55 175.91