#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3g n GLU 2 N 0.00 -6.08 -0.04 1.61 4.07 -1.26 -4.93 120.64 114.01 1g3g n GLU 2 Ca 0.00 0.74 -0.01 0.00 -0.06 0.00 0.00 57.16 57.83 1g3g n GLU 2 Cb 0.00 -5.46 -0.09 0.00 -0.06 0.00 0.00 31.44 25.83 1g3g n GLU 2 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1g3g n ASN 3 N -2.78 2.29 0.00 4.31 3.02 -1.26 -5.01 115.26 115.83 1g3g n ASN 3 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1g3g n ASN 3 Cb 0.63 1.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.85 1g3g n ASN 3 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1g3g n ILE 4 N -2.23 0.00 -1.45 2.41 2.08 -1.26 -4.89 119.36 114.02 1g3g n ILE 4 Ca -0.12 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.20 1g3g n ILE 4 Cb 0.66 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.54 1g3g n ILE 4 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1g3g n THR 5 N 0.00 -2.52 -2.88 1.39 -1.04 -1.26 -4.95 114.28 103.02 1g3g n THR 5 Ca 0.00 1.31 -0.07 0.00 -2.04 0.00 0.00 64.05 63.25 1g3g n THR 5 Cb 0.00 -2.17 0.01 0.00 -1.82 0.00 0.00 70.33 66.35 1g3g n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g3g n GLN 6 N -2.71 -2.66 -1.66 -2.82 6.02 -1.26 -4.86 117.38 107.42 1g3g n GLN 6 Ca -0.01 2.25 -0.45 0.00 -0.01 0.00 0.00 57.00 58.78 1g3g n GLN 6 Cb 0.47 -4.95 -0.02 0.00 1.02 0.00 0.00 30.24 26.76 1g3g n GLN 6 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1g3g n PRO 7 N 0.23 1.91 -4.63 -1.09 -0.02 -1.26 -5.01 135.00 125.13 1g3g n PRO 7 Ca 0.05 0.68 -0.30 0.00 -2.02 0.00 0.00 63.50 61.91 1g3g n PRO 7 Cb 0.30 -2.28 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 1g3g n PRO 7 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1g3g s THR 8 N -0.33 0.69 0.09 3.45 -4.23 -1.26 -5.10 115.64 108.95 1g3g s THR 8 Ca 0.66 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1g3g s THR 8 Cb -0.66 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1g3g s THR 8 CO 0.53 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.61 1g3g n GLN 9 N -1.11 0.00 -1.76 3.99 6.02 -1.26 -5.05 117.38 118.22 1g3g n GLN 9 Ca -0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.45 1g3g n GLN 9 Cb 0.65 -0.44 -0.01 0.00 1.02 0.00 0.00 30.24 31.46 1g3g n GLN 9 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1g3g n GLN 10 N -3.35 2.74 -2.85 -1.09 6.02 -1.26 -4.94 117.38 112.64 1g3g n GLN 10 Ca 0.00 0.97 -0.12 0.00 -0.01 0.00 0.00 57.00 57.84 1g3g n GLN 10 Cb 0.11 -2.75 0.04 0.00 1.02 0.00 0.00 30.24 28.66 1g3g n GLN 10 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1g3g n SER 11 N 1.72 0.07 -0.01 1.08 7.64 -1.26 -4.89 113.62 117.97 1g3g n SER 11 Ca 0.06 -2.92 0.07 0.00 1.01 0.00 0.00 58.87 57.10 1g3g n SER 11 Cb 0.38 0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 63.57 1g3g n SER 11 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1g3g n THR 12 N 0.02 0.00 -1.56 0.44 -2.24 -1.26 -5.01 114.28 104.67 1g3g n THR 12 Ca 0.12 -0.30 -0.39 0.00 -2.27 0.00 0.00 64.05 61.20 1g3g n THR 12 Cb 0.76 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 69.38 1g3g n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g3g n GLN 13 N -1.86 0.92 -0.63 -0.78 3.00 -1.26 -4.92 117.38 111.85 1g3g n GLN 13 Ca -0.01 0.34 -0.31 0.00 -0.01 0.00 0.00 57.00 57.01 1g3g n GLN 13 Cb 0.35 -1.93 0.19 0.00 0.00 0.00 0.00 30.24 28.85 1g3g n GLN 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1g3g n ALA 14 N -1.20 -2.53 -0.10 -1.58 0.00 -1.26 -4.98 120.51 108.85 1g3g n ALA 14 Ca 0.11 -0.93 -0.24 0.00 0.00 0.00 0.00 53.44 52.39 1g3g n ALA 14 Cb 0.44 -1.92 -0.12 0.00 0.00 0.00 0.00 19.45 17.85 1g3g n ALA 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1g3g n THR 15 N -4.42 1.57 -0.17 0.00 -2.24 -1.26 -3.63 114.28 104.14 1g3g n THR 15 Ca 0.06 -0.35 0.02 0.00 -2.27 0.00 0.00 64.05 61.51 1g3g n THR 15 Cb 0.55 -1.83 0.30 0.00 -2.10 0.00 0.00 70.33 67.25 1g3g n THR 15 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 1g3g h GLN 16 N -0.64 0.86 -0.23 -0.78 3.07 -2.01 -2.14 115.11 113.24 1g3g h GLN 16 Ca -0.52 -0.05 -0.18 0.00 0.09 0.00 0.00 58.65 57.98 1g3g h GLN 16 Cb 1.64 -0.19 -0.00 0.00 0.08 0.00 0.00 27.48 29.00 1g3g h GLN 16 CO -0.21 0.57 -0.58 0.00 0.09 0.00 0.00 178.83 178.69 1g3g h ARG 17 N 0.89 0.74 -0.98 0.06 2.47 -1.97 -3.15 114.38 112.43 1g3g h ARG 17 Ca 0.25 -0.49 0.03 0.00 -1.26 0.00 0.00 59.98 58.51 1g3g h ARG 17 Cb -0.06 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 1g3g h ARG 17 CO -0.06 1.11 0.64 0.74 0.56 0.00 0.00 179.97 182.97 1g3g h PHE 18 N 0.56 1.21 -0.96 3.04 0.04 -1.46 -1.36 116.94 118.00 1g3g h PHE 18 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1g3g h PHE 18 Cb 1.17 -0.41 -0.05 0.00 2.20 0.00 0.00 35.95 38.87 1g3g h PHE 18 CO 0.06 0.72 0.62 -0.07 -0.60 0.00 0.00 178.31 179.04 1g3g h LEU 19 N 1.27 1.12 -0.13 1.54 4.07 -1.41 -1.47 115.31 120.29 1g3g h LEU 19 Ca 0.38 -0.04 -0.04 0.00 0.08 0.00 0.00 57.88 58.26 1g3g h LEU 19 Cb -0.05 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.41 1g3g h LEU 19 CO -0.11 0.83 -0.06 0.40 -1.08 0.00 0.00 178.44 178.42 1g3g h ILE 20 N 1.31 1.32 -0.65 1.22 1.08 -1.37 -3.06 117.51 117.36 1g3g h ILE 20 Ca 0.35 -1.10 0.06 0.00 -0.39 0.00 0.00 64.86 63.78 1g3g h ILE 20 Cb -0.12 1.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 1g3g h ILE 20 CO -0.07 0.32 0.43 -0.33 -0.69 0.00 0.00 178.15 177.81 1g3g h GLU 21 N -0.06 0.63 -0.79 2.37 3.07 -1.02 -1.34 114.58 117.44 1g3g h GLU 21 Ca 0.03 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1g3g h GLU 21 Cb 0.53 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.26 1g3g h GLU 21 CO 0.02 0.42 0.50 -0.22 -1.40 0.00 0.00 179.01 178.33 1g3g h LYS 22 N 0.65 1.05 -0.26 2.33 1.63 -1.17 0.41 116.57 121.20 1g3g h LYS 22 Ca 0.28 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 60.01 1g3g h LYS 22 Cb 0.27 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 1g3g h LYS 22 CO -0.09 0.71 0.16 0.35 -3.45 0.00 0.00 179.45 177.13 1g3g h PHE 23 N 1.07 0.30 0.01 1.91 3.04 -1.21 -2.78 116.94 119.30 1g3g h PHE 23 Ca 0.29 0.01 -0.19 0.00 3.98 0.00 0.00 57.97 62.05 1g3g h PHE 23 Cb -0.09 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.30 1g3g h PHE 23 CO 0.00 0.19 -0.89 0.66 -2.02 0.00 0.00 178.31 176.25 1g3g h SER 24 N 0.33 0.12 -0.71 0.41 4.64 -1.42 -3.42 113.55 113.50 1g3g h SER 24 Ca 0.10 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1g3g h SER 24 Cb -0.02 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1g3g h SER 24 CO -0.04 0.95 0.51 1.67 -0.87 0.00 0.00 176.83 179.05 1g3g n GLN 25 N -3.57 0.70 -3.42 4.77 7.27 0.14 -4.92 117.38 118.34 1g3g n GLN 25 Ca -0.02 -0.60 -0.34 0.00 0.07 0.00 0.00 57.00 56.11 1g3g n GLN 25 Cb 0.83 -3.61 -0.06 0.00 2.41 0.00 0.00 30.24 29.82 1g3g n GLN 25 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1g3g s GLU 26 N 8.74 3.88 0.13 3.69 4.04 -1.26 -4.91 118.70 133.01 1g3g s GLU 26 Ca 0.95 0.36 -0.31 0.00 0.04 0.00 0.00 54.97 56.01 1g3g s GLU 26 Cb -0.15 -2.88 -0.09 0.00 0.02 0.00 0.00 34.13 31.03 1g3g s GLU 26 CO 0.14 0.46 1.57 -1.14 -1.84 0.00 0.00 175.26 174.45 1g3g s GLN 27 N -2.16 4.22 0.09 -4.83 0.74 -1.26 -4.98 119.66 111.49 1g3g s GLN 27 Ca 0.39 2.33 -0.22 0.00 0.05 0.00 0.00 55.36 57.91 1g3g s GLN 27 Cb -0.14 -3.28 -0.07 0.00 1.10 0.00 0.00 33.01 30.62 1g3g s GLN 27 CO 0.19 -0.62 0.65 0.42 -0.55 0.00 0.00 175.29 175.38 1g3g s ILE 28 N 1.53 4.63 0.00 -2.34 -1.09 -1.26 -4.94 121.20 117.74 1g3g s ILE 28 Ca 0.71 1.41 0.00 0.00 -2.23 0.00 0.00 60.65 60.53 1g3g s ILE 28 Cb -0.42 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.47 1g3g s ILE 28 CO 0.31 0.52 0.60 0.61 -1.23 0.00 0.00 174.94 175.75 1g3g n GLY 29 N 1.79 0.55 0.11 6.18 0.00 -1.26 -4.80 105.19 107.76 1g3g n GLY 29 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1g3g n GLY 29 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1g3g h GLU 30 N 0.00 0.00 0.00 1.61 9.09 -1.94 -3.35 114.58 119.99 1g3g h GLU 30 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1g3g h GLU 30 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1g3g h GLU 30 CO 0.00 0.20 -1.02 0.09 0.05 0.00 0.00 179.01 178.33 1g3g n ASN 31 N -2.84 1.30 -4.58 3.06 3.02 -1.26 -4.23 115.26 109.73 1g3g n ASN 31 Ca -0.05 -0.43 -0.42 0.00 -0.03 0.00 0.00 54.58 53.66 1g3g n ASN 31 Cb 0.73 1.26 -0.03 0.00 -0.61 0.00 0.00 39.78 41.13 1g3g n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1g3g s ILE 32 N -2.46 3.71 0.12 2.41 -1.09 -1.26 -2.54 121.20 120.09 1g3g s ILE 32 Ca 0.00 0.63 -0.23 0.00 -2.23 0.00 0.00 60.65 58.82 1g3g s ILE 32 Cb 0.08 -4.22 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1g3g s ILE 32 CO 0.50 -0.96 1.40 1.62 -1.23 0.00 0.00 174.94 176.27 1g3g h VAL 33 N 6.52 0.00 -2.51 2.92 3.04 -1.71 -3.45 116.25 121.07 1g3g h VAL 33 Ca -0.28 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.52 1g3g h VAL 33 Cb 1.11 0.00 -0.11 0.00 -2.01 0.00 0.00 31.29 30.29 1g3g h VAL 33 CO 1.15 0.00 0.41 0.00 -1.01 0.00 0.00 177.57 178.12 1g3g s ARG 35 N -3.38 1.96 -0.21 0.00 3.52 -0.05 0.17 118.95 120.96 1g3g s ARG 35 Ca 0.08 -0.44 -0.17 0.00 -0.13 0.00 0.00 55.73 55.06 1g3g s ARG 35 Cb -0.02 -1.81 -0.04 0.00 -1.56 0.00 0.00 34.95 31.53 1g3g s ARG 35 CO -0.03 -0.18 0.46 0.08 -0.81 0.00 0.00 175.30 174.82 1g3g s VAL 36 N 1.35 5.15 -0.27 7.11 1.01 -0.07 0.18 120.40 134.86 1g3g s VAL 36 Ca 0.00 0.82 0.03 0.00 0.00 0.00 0.00 61.98 62.83 1g3g s VAL 36 Cb -0.14 -3.78 0.07 0.00 0.00 0.00 0.00 36.38 32.53 1g3g s VAL 36 CO -0.06 0.21 -0.07 -0.63 0.00 0.00 0.00 175.10 174.54 1g3g s ILE 37 N 1.53 2.01 -0.64 2.22 1.01 0.46 -1.45 121.20 126.35 1g3g s ILE 37 Ca 0.21 -1.63 -0.28 0.00 0.00 0.00 0.00 60.65 58.95 1g3g s ILE 37 Cb -0.15 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.14 1g3g s ILE 37 CO 0.09 -0.13 1.21 0.00 0.00 0.00 0.00 174.94 176.11 1g3g n THR 39 N 6.55 2.79 0.20 0.00 -2.24 -1.26 -4.14 114.28 116.18 1g3g n THR 39 Ca 0.06 -1.47 0.03 0.00 -2.27 0.00 0.00 64.05 60.40 1g3g n THR 39 Cb 0.49 -0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 1g3g n THR 39 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1g3g n THR 40 N 0.24 0.00 -0.33 4.28 -2.24 -1.25 -5.04 114.28 109.94 1g3g n THR 40 Ca 0.34 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1g3g n THR 40 Cb 1.28 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 70.31 1g3g n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g3g n GLY 41 N 1.46 0.48 2.08 3.38 0.00 -1.26 -4.93 105.19 106.40 1g3g n GLY 41 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1g3g n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g3g n GLN 42 N -0.16 0.00 -4.16 1.61 6.02 -1.26 -5.08 117.38 114.35 1g3g n GLN 42 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1g3g n GLN 42 Cb 0.05 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.15 1g3g n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1g3g s ILE 43 N -2.00 0.51 0.56 5.09 1.01 -1.26 -5.14 121.20 119.97 1g3g s ILE 43 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.31 1g3g s ILE 43 Cb 0.00 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 1g3g s ILE 43 CO 0.00 0.21 1.28 -2.65 0.00 0.00 0.00 174.94 173.78 1g3g n PRO 44 N 3.89 1.49 -1.55 2.79 -0.02 -1.26 -4.07 135.00 136.27 1g3g n PRO 44 Ca -0.24 0.55 -0.58 0.00 -2.02 0.00 0.00 63.50 61.22 1g3g n PRO 44 Cb 0.52 -2.49 -0.08 0.00 -0.02 0.00 0.00 33.50 31.43 1g3g n PRO 44 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1g3g n ILE 45 N -1.23 0.01 -4.96 4.25 5.41 -1.26 -4.81 119.36 116.76 1g3g n ILE 45 Ca 0.12 -0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.57 1g3g n ILE 45 Cb 0.45 -0.29 -0.17 0.00 -0.71 0.00 0.00 39.64 38.92 1g3g n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1g3g s ARG 46 N 0.45 2.49 -0.27 0.38 6.06 -0.53 -5.04 118.95 122.50 1g3g s ARG 46 Ca 0.91 -0.69 -0.15 0.00 -2.50 0.00 0.00 55.73 53.29 1g3g s ARG 46 Cb -1.20 -1.93 -0.04 0.00 0.06 0.00 0.00 34.95 31.84 1g3g s ARG 46 CO 0.56 0.12 0.40 -0.51 -2.50 0.00 0.00 175.30 173.37 1g3g s ASP 47 N 0.46 6.29 -0.19 -2.12 1.01 -1.26 -0.89 116.67 119.97 1g3g s ASP 47 Ca -0.17 0.33 -0.16 0.00 0.71 0.00 0.00 52.55 53.27 1g3g s ASP 47 Cb -0.17 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1g3g s ASP 47 CO 0.07 -0.20 0.38 -0.76 0.21 0.00 0.00 175.17 174.87 1g3g s LEU 48 N 2.08 4.18 0.31 1.23 1.43 0.44 -4.97 118.68 123.39 1g3g s LEU 48 Ca 0.16 0.53 0.11 0.00 -1.03 0.00 0.00 54.13 53.90 1g3g s LEU 48 Cb -0.16 -2.49 -0.06 0.00 0.03 0.00 0.00 46.19 43.52 1g3g s LEU 48 CO 0.10 -0.03 -0.15 -0.44 0.23 0.00 0.00 176.35 176.06 1g3g s SER 49 N 0.89 3.70 0.36 2.29 0.01 -1.26 -0.17 113.70 119.51 1g3g s SER 49 Ca 0.19 -1.08 0.09 0.00 1.31 0.00 0.00 55.95 56.45 1g3g s SER 49 Cb -0.14 -0.35 -0.06 0.00 0.21 0.00 0.00 66.02 65.68 1g3g s SER 49 CO 0.07 -0.06 0.03 0.00 0.41 0.00 0.00 173.24 173.69 1g3g s ALA 50 N -2.54 3.24 -0.91 1.44 0.00 -1.05 -4.44 121.76 117.50 1g3g s ALA 50 Ca 0.31 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1g3g s ALA 50 Cb -0.02 -0.29 0.33 0.00 0.00 0.00 0.00 23.12 23.14 1g3g s ALA 50 CO 0.16 0.01 1.69 -0.25 0.00 0.00 0.00 175.76 177.38 1g3g n ASP 51 N -0.99 6.83 -0.23 0.00 9.92 -1.26 -4.75 116.55 126.08 1g3g n ASP 51 Ca -0.04 -3.72 -0.06 0.00 -0.53 0.00 0.00 54.79 50.45 1g3g n ASP 51 Cb 0.63 -1.03 0.05 0.00 -0.64 0.00 0.00 41.12 40.13 1g3g n ASP 51 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1g3g h ILE 52 N 2.31 1.17 -0.51 0.53 2.04 -1.97 0.19 117.51 121.27 1g3g h ILE 52 Ca 0.47 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.91 1g3g h ILE 52 Cb 0.32 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1g3g h ILE 52 CO 1.15 0.17 -0.10 0.28 0.00 0.00 0.00 178.15 179.65 1g3g h SER 53 N 0.89 0.92 -0.41 1.72 0.02 -1.95 -1.83 113.55 112.92 1g3g h SER 53 Ca 0.24 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 1g3g h SER 53 Cb -0.10 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 1g3g h SER 53 CO -0.05 1.04 -0.17 1.56 -1.14 0.00 0.00 176.83 178.06 1g3g h GLN 54 N 0.84 0.84 -0.56 3.45 1.08 -1.80 0.08 115.11 119.04 1g3g h GLN 54 Ca 0.14 -0.36 -0.06 0.00 -1.45 0.00 0.00 58.65 56.92 1g3g h GLN 54 Cb 0.63 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 1g3g h GLN 54 CO 0.04 0.99 0.10 0.28 -0.95 0.00 0.00 178.83 179.29 1g3g h VAL 55 N 0.66 1.25 -0.29 -0.54 2.07 -0.87 0.84 116.25 119.37 1g3g h VAL 55 Ca 0.09 -0.95 -0.16 0.00 0.82 0.00 0.00 66.70 66.51 1g3g h VAL 55 Cb 0.72 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1g3g h VAL 55 CO 0.05 0.34 -0.44 -0.07 0.02 0.00 0.00 177.57 177.48 1g3g h LEU 56 N 0.81 0.89 -3.64 2.57 3.38 -1.28 -3.10 115.31 114.93 1g3g h LEU 56 Ca 0.17 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 1g3g h LEU 56 Cb 0.39 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1g3g h LEU 56 CO 0.01 1.23 0.10 0.29 0.09 0.00 0.00 178.44 180.16 1g3g n LYS 57 N -4.12 4.50 0.00 1.13 5.02 0.01 -4.76 118.16 119.95 1g3g n LYS 57 Ca -0.04 -3.15 0.00 0.00 -2.02 0.00 0.00 58.31 53.10 1g3g n LYS 57 Cb 0.57 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 1g3g n LYS 57 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1g3g n GLU 58 N 0.34 0.00 -1.58 1.97 4.07 0.29 -4.93 120.64 120.80 1g3g n GLU 58 Ca 0.33 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 57.04 1g3g n GLU 58 Cb 1.28 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.63 1g3g n GLU 58 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1g3g s LYS 59 N 0.00 2.60 0.00 5.31 0.00 -1.21 -3.64 119.74 122.79 1g3g s LYS 59 Ca 0.00 1.72 0.00 0.00 0.00 0.00 0.00 55.97 57.69 1g3g s LYS 59 Cb 0.00 -4.48 0.00 0.00 0.00 0.00 0.00 37.83 33.35 1g3g s LYS 59 CO 0.00 -2.71 0.72 -2.13 0.00 0.00 0.00 175.35 171.23 1g3g n ARG 60 N 8.89 0.00 -2.69 1.78 0.00 -1.26 -5.08 116.66 118.30 1g3g n ARG 60 Ca 0.33 -0.69 -0.03 0.00 -0.00 0.00 0.00 57.85 57.45 1g3g n ARG 60 Cb 0.50 -0.45 -0.03 0.00 0.00 0.00 0.00 32.46 32.48 1g3g n ARG 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1g3g n SER 61 N 0.00 -3.16 -4.60 6.15 2.88 -1.26 -4.69 113.62 108.94 1g3g n SER 61 Ca 0.00 1.27 -0.54 0.00 -1.33 0.00 0.00 58.87 58.27 1g3g n SER 61 Cb 0.60 -4.05 -0.07 0.00 -0.75 0.00 0.00 64.21 59.93 1g3g n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g3g n ILE 62 N 1.99 0.30 -3.26 2.46 0.13 -1.26 -4.89 119.36 114.82 1g3g n ILE 62 Ca -0.26 -0.12 -0.05 0.00 -1.10 0.00 0.00 62.75 61.22 1g3g n ILE 62 Cb 0.40 -1.42 -0.04 0.00 -0.84 0.00 0.00 39.64 37.74 1g3g n ILE 62 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1g3g s LYS 63 N 4.59 0.47 -0.02 9.51 2.20 -1.26 -1.71 119.74 133.52 1g3g s LYS 63 Ca 1.02 0.23 0.01 0.00 -0.36 0.00 0.00 55.97 56.87 1g3g s LYS 63 Cb -0.97 -0.14 0.01 0.00 -1.51 0.00 0.00 37.83 35.22 1g3g s LYS 63 CO 0.59 -1.05 -0.02 0.21 -0.36 0.00 0.00 175.35 174.72 1g3g s LYS 64 N 2.60 0.41 -0.05 4.03 2.20 -0.13 -5.02 119.74 123.77 1g3g s LYS 64 Ca 0.10 -0.05 0.05 0.00 -0.36 0.00 0.00 55.97 55.71 1g3g s LYS 64 Cb -0.12 -0.48 -0.01 0.00 -1.51 0.00 0.00 37.83 35.72 1g3g s LYS 64 CO -0.28 -0.03 -0.21 0.08 -0.36 0.00 0.00 175.35 174.55 1g3g s VAL 65 N 0.53 1.71 -0.12 4.02 1.01 -1.26 -0.61 120.40 125.68 1g3g s VAL 65 Ca -0.06 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1g3g s VAL 65 Cb -0.09 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1g3g s VAL 65 CO -0.01 0.48 0.12 0.26 0.00 0.00 0.00 175.10 175.96 1g3g s TRP 66 N 0.02 3.52 -0.06 5.22 0.51 0.52 -4.81 118.94 123.86 1g3g s TRP 66 Ca -0.06 0.46 0.01 0.00 -2.12 0.00 0.00 56.10 54.39 1g3g s TRP 66 Cb -0.13 -1.94 0.02 0.00 -0.81 0.00 0.00 33.47 30.60 1g3g s TRP 66 CO 0.03 0.65 -0.07 0.99 -0.51 0.00 0.00 176.95 178.04 1g3g s THR 67 N -0.85 0.81 -0.31 2.01 2.01 -1.26 0.25 115.64 118.30 1g3g s THR 67 Ca 0.14 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 1g3g s THR 67 Cb -0.12 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1g3g s THR 67 CO 0.03 0.29 0.29 -0.36 -0.69 0.00 0.00 174.62 174.18 1g3g s PHE 68 N 1.01 3.22 -5.00 4.92 0.40 0.34 0.29 117.98 123.16 1g3g s PHE 68 Ca -0.09 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 1g3g s PHE 68 Cb -0.14 -2.52 0.00 0.00 0.51 0.00 0.00 43.02 40.87 1g3g s PHE 68 CO -0.00 -0.29 0.00 0.41 0.70 0.00 0.00 175.22 176.04 1g3g n GLY 69 N 4.96 -0.41 3.56 4.36 0.00 -1.23 0.10 105.19 116.53 1g3g n GLY 69 Ca -0.11 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 1g3g n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1g3g s ARG 70 N -2.00 3.16 0.11 1.61 1.70 -1.21 -2.67 118.95 119.64 1g3g s ARG 70 Ca 0.00 -0.64 -0.12 0.00 -0.47 0.00 0.00 55.73 54.51 1g3g s ARG 70 Cb 0.00 -5.06 0.01 0.00 -0.57 0.00 0.00 34.95 29.33 1g3g s ARG 70 CO 0.00 -2.60 0.28 0.54 -1.08 0.00 0.00 175.30 172.44 1g3g s ASN 71 N 5.99 -0.03 0.07 -2.89 2.20 -1.25 -4.65 114.94 114.38 1g3g s ASN 71 Ca 0.54 -0.53 0.08 0.00 -0.94 0.00 0.00 52.86 52.00 1g3g s ASN 71 Cb -0.04 0.40 0.39 0.00 -2.00 0.00 0.00 41.25 40.00 1g3g s ASN 71 CO -0.02 -0.79 1.26 -0.81 -2.94 0.00 0.00 177.10 173.79 1g3g n PRO 72 N -0.14 0.03 0.00 3.55 -0.04 -1.26 -3.14 135.00 134.00 1g3g n PRO 72 Ca -0.15 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1g3g n PRO 72 Cb 0.63 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1g3g n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g3g n ALA 73 N -1.56 0.00 0.00 0.55 0.00 -1.26 -4.31 120.51 113.94 1g3g n ALA 73 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 1g3g n ALA 73 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 1g3g n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g3g n ASP 75 N -2.37 1.94 -3.85 0.00 -0.08 0.82 -4.23 116.55 108.78 1g3g n ASP 75 Ca -0.00 0.30 -0.12 0.00 -1.51 0.00 0.00 54.79 53.47 1g3g n ASP 75 Cb 0.00 -0.85 -0.12 0.00 2.34 0.00 0.00 41.12 42.50 1g3g n ASP 75 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1g3g s TYR 76 N -2.46 -0.06 -0.37 -0.67 6.14 -1.10 -4.87 117.35 113.97 1g3g s TYR 76 Ca -0.32 0.15 -0.25 0.00 0.64 0.00 0.00 57.07 57.28 1g3g s TYR 76 Cb 0.09 0.00 0.01 0.00 0.42 0.00 0.00 41.96 42.49 1g3g s TYR 76 CO 0.59 -0.13 0.91 -1.58 0.64 0.00 0.00 175.55 175.98 1g3g s HIS 77 N -0.40 3.07 0.29 4.97 5.65 -1.26 -4.01 115.29 123.61 1g3g s HIS 77 Ca -0.05 0.72 0.06 0.00 0.25 0.00 0.00 55.06 56.04 1g3g s HIS 77 Cb -0.03 -3.63 -0.06 0.00 -1.18 0.00 0.00 32.58 27.67 1g3g s HIS 77 CO 0.00 -0.83 -0.02 -0.51 -0.65 0.00 0.00 174.74 172.73 1g3g s LEU 78 N 3.44 2.40 0.00 8.88 1.43 -1.09 -4.89 118.68 128.85 1g3g s LEU 78 Ca 0.37 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1g3g s LEU 78 Cb -0.12 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.55 1g3g s LEU 78 CO 0.19 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 176.96 1g3g n GLY 79 N -0.60 -2.85 3.14 -3.19 0.00 -1.26 -3.82 105.19 96.61 1g3g n GLY 79 Ca -0.05 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 1g3g n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g3g s ASN 80 N -1.70 5.38 -0.10 1.61 2.20 -1.26 -3.59 114.94 117.49 1g3g s ASN 80 Ca 0.00 -2.08 0.01 0.00 -0.94 0.00 0.00 52.86 49.85 1g3g s ASN 80 Cb 0.00 -1.88 -0.02 0.00 -2.00 0.00 0.00 41.25 37.35 1g3g s ASN 80 CO 0.00 -0.57 -0.13 -0.63 -2.94 0.00 0.00 177.10 172.83 1g3g s ILE 81 N 1.08 3.10 0.15 0.54 -1.09 -1.26 -5.00 121.20 118.72 1g3g s ILE 81 Ca 0.08 -0.67 -0.12 0.00 -2.23 0.00 0.00 60.65 57.71 1g3g s ILE 81 Cb -0.23 -2.27 0.01 0.00 -1.58 0.00 0.00 42.46 38.38 1g3g s ILE 81 CO -0.03 0.55 1.58 0.77 -1.23 0.00 0.00 174.94 176.58 1g3g h SER 82 N 6.20 0.86 0.00 3.58 4.64 -1.98 -3.19 113.55 123.66 1g3g h SER 82 Ca -0.33 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 1g3g h SER 82 Cb 1.19 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1g3g h SER 82 CO 0.54 0.98 0.00 0.54 -0.87 0.00 0.00 176.83 178.02 1g3g n ARG 83 N -4.31 0.00 -3.74 4.77 3.00 -1.26 -4.88 116.66 110.24 1g3g n ARG 83 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.47 1g3g n ARG 83 Cb 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.67 1g3g n ARG 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1g3g s LEU 84 N 0.00 3.93 0.00 0.55 2.01 -1.26 -4.35 118.68 119.56 1g3g s LEU 84 Ca 0.00 -0.71 0.00 0.00 0.01 0.00 0.00 54.13 53.43 1g3g s LEU 84 Cb 0.00 -1.90 0.00 0.00 0.01 0.00 0.00 46.19 44.30 1g3g s LEU 84 CO 0.00 -0.20 0.00 -1.20 1.01 0.00 0.00 176.35 175.96 1g3g n SER 85 N 4.88 0.00 -3.75 2.29 7.64 -1.26 -4.97 113.62 118.45 1g3g n SER 85 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1g3g n SER 85 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1g3g n SER 85 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1g3g n ASN 86 N 0.00 -0.28 -3.85 6.43 2.04 -1.21 -3.36 115.26 115.04 1g3g n ASN 86 Ca 0.00 -0.01 -0.25 0.00 -0.44 0.00 0.00 54.58 53.87 1g3g n ASN 86 Cb 0.00 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.17 1g3g n ASN 86 CO 0.00 0.00 0.00 2.29 -0.44 0.00 0.00 177.26 179.11 1g3g n LYS 87 N -0.30 0.02 0.15 -3.83 0.00 -1.25 -3.49 118.16 109.46 1g3g n LYS 87 Ca 0.00 -0.80 0.13 0.00 -0.00 0.00 0.00 58.31 57.64 1g3g n LYS 87 Cb 0.00 -2.27 0.39 0.00 -0.00 0.00 0.00 35.03 33.14 1g3g n LYS 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1g3g h HIS 88 N 9.50 0.00 -1.48 5.58 2.76 0.66 -3.39 115.15 128.77 1g3g h HIS 88 Ca 0.13 0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.49 1g3g h HIS 88 Cb 0.73 0.00 -0.22 0.00 1.55 0.00 0.00 27.41 29.47 1g3g h HIS 88 CO 1.05 0.00 0.74 0.12 -1.30 0.00 0.00 177.93 178.54 1g3g s PHE 89 N -3.20 -0.20 0.07 5.26 5.36 0.13 -2.70 117.98 122.71 1g3g s PHE 89 Ca 0.08 0.24 0.02 0.00 -0.96 0.00 0.00 56.93 56.31 1g3g s PHE 89 Cb 0.10 0.49 -0.03 0.00 -0.34 0.00 0.00 43.02 43.24 1g3g s PHE 89 CO 0.58 -0.24 -0.07 -1.14 -1.46 0.00 0.00 175.22 172.89 1g3g s GLN 90 N -1.79 0.68 -0.06 10.12 0.74 0.30 0.12 119.66 129.78 1g3g s GLN 90 Ca 0.06 -1.07 0.03 0.00 0.05 0.00 0.00 55.36 54.43 1g3g s GLN 90 Cb -0.01 -0.20 0.01 0.00 1.10 0.00 0.00 33.01 33.90 1g3g s GLN 90 CO -0.04 0.00 -0.15 0.42 -0.55 0.00 0.00 175.29 174.98 1g3g s ILE 91 N -2.67 1.28 -0.15 -2.34 1.01 0.71 0.14 121.20 119.17 1g3g s ILE 91 Ca 0.02 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1g3g s ILE 91 Cb -0.01 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.33 1g3g s ILE 91 CO -0.03 0.38 -0.17 -0.76 0.00 0.00 0.00 174.94 174.36 1g3g s LEU 92 N 0.37 2.38 -0.01 2.97 1.02 0.34 0.20 118.68 125.95 1g3g s LEU 92 Ca -0.10 -0.50 0.05 0.00 0.02 0.00 0.00 54.13 53.60 1g3g s LEU 92 Cb -0.14 -1.53 -0.01 0.00 0.02 0.00 0.00 46.19 44.53 1g3g s LEU 92 CO 0.03 0.08 -0.17 -0.76 0.02 0.00 0.00 176.35 175.56 1g3g s LEU 93 N 0.81 2.03 0.00 1.79 2.01 0.22 0.18 118.68 125.72 1g3g s LEU 93 Ca -0.06 -0.31 0.00 0.00 0.01 0.00 0.00 54.13 53.78 1g3g s LEU 93 Cb -0.15 -0.86 0.00 0.00 0.01 0.00 0.00 46.19 45.19 1g3g s LEU 93 CO -0.01 0.20 0.00 0.61 1.01 0.00 0.00 176.35 178.17 1g3g n GLY 94 N 2.65 0.35 3.23 -3.19 0.00 0.53 -0.96 105.19 107.80 1g3g n GLY 94 Ca -0.15 -1.13 -0.19 0.00 0.00 0.00 0.00 46.02 44.56 1g3g n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1g3g n GLU 95 N 0.00 -6.48 -2.49 1.61 4.07 -0.69 0.13 120.64 116.79 1g3g n GLU 95 Ca 0.00 0.71 -0.21 0.00 -0.06 0.00 0.00 57.16 57.60 1g3g n GLU 95 Cb 0.00 -5.39 -0.00 0.00 -0.06 0.00 0.00 31.44 25.99 1g3g n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1g3g n ASP 96 N -2.50 -5.95 0.00 4.31 9.92 -1.25 -4.28 116.55 116.79 1g3g n ASP 96 Ca -0.07 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1g3g n ASP 96 Cb 0.58 -4.93 0.00 0.00 -0.64 0.00 0.00 41.12 36.13 1g3g n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1g3g n GLY 97 N -1.10 0.76 3.65 0.44 0.00 -0.90 -5.07 105.19 102.97 1g3g n GLY 97 Ca -0.23 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.12 1g3g n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1g3g s ASN 98 N -0.55 -0.07 -0.15 1.61 -0.87 0.35 -5.01 114.94 110.25 1g3g s ASN 98 Ca 0.00 0.12 -0.04 0.00 -1.57 0.00 0.00 52.86 51.37 1g3g s ASN 98 Cb 0.00 0.47 -0.03 0.00 -0.02 0.00 0.00 41.25 41.67 1g3g s ASN 98 CO 0.00 -0.02 -0.02 -0.76 -2.57 0.00 0.00 177.10 173.73 1g3g s LEU 99 N 0.42 3.36 0.05 0.60 1.43 -1.26 -0.35 118.68 122.93 1g3g s LEU 99 Ca 0.01 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1g3g s LEU 99 Cb -0.04 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1g3g s LEU 99 CO -0.13 0.19 -0.10 -0.76 0.23 0.00 0.00 176.35 175.77 1g3g s LEU 100 N 0.25 2.23 -0.12 1.79 1.43 0.47 -2.23 118.68 122.50 1g3g s LEU 100 Ca -0.02 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1g3g s LEU 100 Cb -0.14 -0.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 1g3g s LEU 100 CO 0.02 -0.11 -0.17 -0.76 0.23 0.00 0.00 176.35 175.56 1g3g s LEU 101 N -1.43 2.48 -0.32 1.79 1.43 0.33 0.13 118.68 123.09 1g3g s LEU 101 Ca -0.05 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1g3g s LEU 101 Cb -0.09 -1.54 0.04 0.00 0.03 0.00 0.00 46.19 44.63 1g3g s LEU 101 CO 0.01 0.16 0.08 0.21 0.23 0.00 0.00 176.35 177.04 1g3g s ASN 102 N 0.37 5.18 -0.44 2.29 2.47 0.37 0.20 114.94 125.37 1g3g s ASN 102 Ca -0.14 -1.10 -0.26 0.00 0.42 0.00 0.00 52.86 51.78 1g3g s ASN 102 Cb -0.17 -1.83 0.03 0.00 -1.45 0.00 0.00 41.25 37.83 1g3g s ASN 102 CO 0.07 -0.29 0.98 -1.81 -3.72 0.00 0.00 177.10 172.32 1g3g s ASP 103 N 1.38 6.58 -0.26 -4.21 1.01 -1.25 0.11 116.67 120.03 1g3g s ASP 103 Ca -0.02 0.32 0.02 0.00 0.71 0.00 0.00 52.55 53.58 1g3g s ASP 103 Cb -0.19 -2.48 0.07 0.00 1.01 0.00 0.00 42.92 41.33 1g3g s ASP 103 CO 0.02 -1.05 -0.04 -0.51 0.21 0.00 0.00 175.17 173.80 1g3g s ILE 104 N 3.86 1.73 0.32 0.77 2.07 -1.23 0.16 121.20 128.88 1g3g s ILE 104 Ca 0.40 -1.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.17 1g3g s ILE 104 Cb -0.10 -2.03 -0.05 0.00 0.13 0.00 0.00 42.46 40.42 1g3g s ILE 104 CO 0.26 -0.21 0.10 -0.44 -1.91 0.00 0.00 174.94 172.74 1g3g s SER 105 N 1.27 2.01 -0.01 4.50 0.01 -1.10 0.22 113.70 120.61 1g3g s SER 105 Ca -0.03 -1.47 -0.13 0.00 1.31 0.00 0.00 55.95 55.64 1g3g s SER 105 Cb -0.19 0.17 -0.07 0.00 0.21 0.00 0.00 66.02 66.15 1g3g s SER 105 CO -0.08 -0.75 0.71 0.74 0.41 0.00 0.00 173.24 174.27 1g3g h THR 106 N 2.14 0.00 0.00 1.44 2.02 -1.87 -3.43 112.91 113.21 1g3g h THR 106 Ca -0.38 -0.31 -0.14 0.00 0.77 0.00 0.00 66.41 66.35 1g3g h THR 106 Cb 1.25 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1g3g h THR 106 CO 0.62 0.00 -1.54 -0.46 0.37 0.00 0.00 175.52 174.51 1g3g n ASN 107 N -4.07 3.13 -3.71 4.18 0.23 -1.26 -5.05 115.26 108.72 1g3g n ASN 107 Ca -0.06 -0.01 -0.13 0.00 -0.53 0.00 0.00 54.58 53.85 1g3g n ASN 107 Cb 0.18 0.50 -0.14 0.00 -2.08 0.00 0.00 39.78 38.24 1g3g n ASN 107 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1g3g s GLY 108 N -4.17 -0.09 -0.03 4.83 0.00 -1.26 -5.02 107.32 101.58 1g3g s GLY 108 Ca -0.06 0.86 0.07 0.00 0.00 0.00 0.00 44.72 45.59 1g3g s GLY 108 CO 0.30 1.41 -0.24 -1.59 0.00 0.00 0.00 173.10 172.98 1g3g s THR 109 N 1.63 1.94 0.11 0.90 2.01 -1.26 -4.10 115.64 116.86 1g3g s THR 109 Ca -0.05 -1.03 0.10 0.00 0.31 0.00 0.00 61.69 61.01 1g3g s THR 109 Cb -0.11 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1g3g s THR 109 CO -0.08 0.54 -0.25 0.26 -0.69 0.00 0.00 174.62 174.41 1g3g s TRP 110 N -0.40 2.13 -0.22 4.92 0.51 0.48 -1.27 118.94 125.09 1g3g s TRP 110 Ca 0.04 -0.39 0.01 0.00 -2.12 0.00 0.00 56.10 53.64 1g3g s TRP 110 Cb -0.11 -1.17 0.05 0.00 -0.81 0.00 0.00 33.47 31.43 1g3g s TRP 110 CO 0.01 0.27 -0.09 -0.51 -0.51 0.00 0.00 176.95 176.12 1g3g s LEU 111 N -1.92 2.59 -1.32 2.99 1.43 -0.83 0.16 118.68 121.79 1g3g s LEU 111 Ca 0.11 -1.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.03 1g3g s LEU 111 Cb -0.10 -1.27 0.07 0.00 0.03 0.00 0.00 46.19 44.92 1g3g s LEU 111 CO 0.05 -0.19 0.51 0.59 0.23 0.00 0.00 176.35 177.55 1g3g n ASN 112 N 4.64 -3.88 0.00 2.29 3.02 -0.30 -0.35 115.26 120.68 1g3g n ASN 112 Ca -0.14 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1g3g n ASN 112 Cb 0.45 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 1g3g n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g3g n GLY 113 N -1.21 0.53 2.68 7.41 0.00 -1.26 -5.03 105.19 108.31 1g3g n GLY 113 Ca -0.02 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 1g3g n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g3g s GLN 114 N -2.88 0.76 0.16 1.61 2.00 0.53 -5.11 119.66 116.73 1g3g s GLN 114 Ca 0.00 -1.24 -0.33 0.00 -2.00 0.00 0.00 55.36 51.79 1g3g s GLN 114 Cb 0.00 -1.91 -0.16 0.00 0.80 0.00 0.00 33.01 31.74 1g3g s GLN 114 CO 0.00 -1.05 1.08 1.17 -0.50 0.00 0.00 175.29 175.99 1g3g n LYS 115 N 4.53 0.90 -4.25 1.67 3.00 -1.26 -1.95 118.16 120.80 1g3g n LYS 115 Ca 0.01 0.32 -0.14 0.00 -0.00 0.00 0.00 58.31 58.51 1g3g n LYS 115 Cb 0.40 -1.76 -0.10 0.00 0.00 0.00 0.00 35.03 33.56 1g3g n LYS 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1g3g s VAL 116 N -0.27 0.61 0.38 3.15 0.11 -0.39 -4.87 120.40 119.11 1g3g s VAL 116 Ca 0.74 -1.98 -0.26 0.00 -2.93 0.00 0.00 61.98 57.55 1g3g s VAL 116 Cb -0.91 -2.21 -0.09 0.00 -1.53 0.00 0.00 36.38 31.65 1g3g s VAL 116 CO 0.53 -0.39 1.20 -0.70 -3.33 0.00 0.00 175.10 172.42 1g3g s GLU 117 N -3.95 4.16 1.03 1.54 2.12 -1.26 -4.28 118.70 118.06 1g3g s GLU 117 Ca 0.26 1.95 -0.13 0.00 0.36 0.00 0.00 54.97 57.42 1g3g s GLU 117 Cb 0.06 -2.82 0.21 0.00 0.26 0.00 0.00 34.13 31.85 1g3g s GLU 117 CO 0.06 -0.26 1.08 -1.59 -0.54 0.00 0.00 175.26 174.01 1g3g s LYS 118 N -2.10 0.14 -0.99 4.30 -2.85 -1.26 -3.53 119.74 113.45 1g3g s LYS 118 Ca 0.54 0.55 -0.13 0.00 -1.00 0.00 0.00 55.97 55.93 1g3g s LYS 118 Cb -0.33 -1.70 0.13 0.00 -2.06 0.00 0.00 37.83 33.86 1g3g s LYS 118 CO 0.43 -2.93 0.32 0.27 0.10 0.00 0.00 175.35 173.53 1g3g n ASN 119 N -4.32 -1.13 -4.21 0.03 0.23 0.43 -4.85 115.26 101.43 1g3g n ASN 119 Ca 0.05 -0.57 -0.37 0.00 -0.53 0.00 0.00 54.58 53.16 1g3g n ASN 119 Cb 0.57 -1.01 -0.13 0.00 -2.08 0.00 0.00 39.78 37.13 1g3g n ASN 119 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1g3g s SER 120 N -2.28 5.18 0.24 0.53 0.15 -1.23 -4.92 113.70 111.37 1g3g s SER 120 Ca 0.44 -1.37 -0.29 0.00 0.70 0.00 0.00 55.95 55.43 1g3g s SER 120 Cb -0.26 -1.81 -0.15 0.00 -1.71 0.00 0.00 66.02 62.09 1g3g s SER 120 CO 0.54 -0.36 0.96 0.59 1.20 0.00 0.00 173.24 176.18 1g3g n ASN 121 N 4.71 0.84 -4.24 5.45 4.13 -1.26 -3.97 115.26 120.92 1g3g n ASN 121 Ca -0.11 1.16 -0.23 0.00 1.68 0.00 0.00 54.58 57.09 1g3g n ASN 121 Cb 0.43 -1.20 -0.13 0.00 -1.54 0.00 0.00 39.78 37.34 1g3g n ASN 121 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1g3g s GLN 122 N -1.14 1.08 -0.35 3.52 -1.52 0.53 -4.83 119.66 116.96 1g3g s GLN 122 Ca 0.64 -1.02 -0.29 0.00 -1.95 0.00 0.00 55.36 52.73 1g3g s GLN 122 Cb -0.79 -1.23 0.00 0.00 -0.22 0.00 0.00 33.01 30.77 1g3g s GLN 122 CO 0.57 0.29 1.44 -1.17 -0.25 0.00 0.00 175.29 176.17 1g3g s LEU 123 N -1.64 3.70 0.43 2.90 1.98 -1.26 0.12 118.68 124.91 1g3g s LEU 123 Ca 0.04 1.07 -0.22 0.00 -2.89 0.00 0.00 54.13 52.13 1g3g s LEU 123 Cb -0.09 -3.54 -0.12 0.00 0.66 0.00 0.00 46.19 43.10 1g3g s LEU 123 CO 0.03 -1.33 0.58 -0.11 -1.89 0.00 0.00 176.35 173.63 1g3g n LEU 124 N 8.55 0.24 -4.28 -0.68 0.00 -0.95 -4.86 117.00 115.02 1g3g n LEU 124 Ca 0.17 0.91 -0.21 0.00 0.00 0.00 0.00 56.01 56.88 1g3g n LEU 124 Cb 0.47 -1.14 -0.12 0.00 0.00 0.00 0.00 43.42 42.64 1g3g n LEU 124 CO 0.67 -2.78 -0.48 -0.44 0.00 0.00 0.00 177.39 174.36 1g3g s SER 125 N -0.95 2.38 -0.27 1.96 0.01 -1.26 -5.04 113.70 110.53 1g3g s SER 125 Ca 0.64 -0.78 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 1g3g s SER 125 Cb -0.59 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 65.50 1g3g s SER 125 CO 0.58 -0.04 1.56 -1.10 0.41 0.00 0.00 173.24 174.64 1g3g s GLN 126 N -2.44 3.73 -1.08 12.44 -1.52 -1.26 -2.36 119.66 127.18 1g3g s GLN 126 Ca 0.10 1.47 0.00 0.00 -1.95 0.00 0.00 55.36 54.98 1g3g s GLN 126 Cb -0.07 -4.03 0.00 0.00 -0.22 0.00 0.00 33.01 28.69 1g3g s GLN 126 CO 0.05 -1.37 0.00 0.41 -0.25 0.00 0.00 175.29 174.13 1g3g n GLY 127 N 4.75 0.10 3.50 3.09 0.00 -1.23 -4.98 105.19 110.43 1g3g n GLY 127 Ca 0.18 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1g3g n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1g3g n ASP 128 N -0.26 -1.28 -3.76 1.61 -0.08 -0.99 -4.59 116.55 107.19 1g3g n ASP 128 Ca -0.14 0.33 -0.13 0.00 -1.51 0.00 0.00 54.79 53.35 1g3g n ASP 128 Cb 0.58 -1.29 -0.12 0.00 2.34 0.00 0.00 41.12 42.62 1g3g n ASP 128 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1g3g s GLU 129 N -3.98 0.24 -0.15 -0.67 -6.30 -1.26 -0.35 118.70 106.23 1g3g s GLU 129 Ca 0.60 0.41 -0.02 0.00 -2.50 0.00 0.00 54.97 53.47 1g3g s GLU 129 Cb -0.22 0.02 -0.02 0.00 0.00 0.00 0.00 34.13 33.92 1g3g s GLU 129 CO 0.64 -0.09 -0.09 0.42 0.02 0.00 0.00 175.26 176.16 1g3g s ILE 130 N 0.62 3.33 -0.07 -3.70 1.09 0.19 -1.15 121.20 121.52 1g3g s ILE 130 Ca -0.04 -0.55 -0.03 0.00 -1.10 0.00 0.00 60.65 58.92 1g3g s ILE 130 Cb -0.06 -2.43 -0.04 0.00 -1.06 0.00 0.00 42.46 38.88 1g3g s ILE 130 CO -0.04 0.51 0.09 -0.89 -0.10 0.00 0.00 174.94 174.51 1g3g s THR 131 N 0.45 4.97 0.03 2.92 2.01 0.41 0.13 115.64 126.57 1g3g s THR 131 Ca -0.07 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 1g3g s THR 131 Cb -0.15 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 1g3g s THR 131 CO 0.04 0.50 -0.00 0.68 -0.69 0.00 0.00 174.62 175.15 1g3g s VAL 132 N -1.07 0.14 -0.35 3.82 -7.23 0.50 0.18 120.40 116.39 1g3g s VAL 132 Ca 0.18 -1.15 -0.01 0.00 -1.81 0.00 0.00 61.98 59.19 1g3g s VAL 132 Cb -0.12 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.14 1g3g s VAL 132 CO 0.08 -0.63 0.15 0.61 -0.31 0.00 0.00 175.10 175.00 1g3g n GLY 133 N 1.09 0.43 3.78 2.32 0.00 -1.26 -0.52 105.19 111.04 1g3g n GLY 133 Ca -0.21 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 1g3g n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3g s VAL 134 N -2.72 3.50 0.00 1.61 1.01 -1.26 -4.00 120.40 118.54 1g3g s VAL 134 Ca 0.08 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1g3g s VAL 134 Cb -0.03 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1g3g s VAL 134 CO 0.09 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1g3g n GLY 135 N -0.83 2.45 3.11 4.51 0.00 -1.26 -5.02 105.19 108.15 1g3g n GLY 135 Ca 0.09 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1g3g n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3g s VAL 136 N 0.00 1.35 0.43 1.61 1.01 -1.26 -5.02 120.40 118.53 1g3g s VAL 136 Ca 0.00 -0.67 0.20 0.00 0.00 0.00 0.00 61.98 61.51 1g3g s VAL 136 Cb 0.00 -1.17 0.40 0.00 0.00 0.00 0.00 36.38 35.61 1g3g s VAL 136 CO 0.00 0.39 1.84 -0.08 0.00 0.00 0.00 175.10 177.26 1g3g h GLU 137 N 6.33 0.33 -0.35 2.72 4.22 -1.99 0.55 114.58 126.39 1g3g h GLU 137 Ca -0.32 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.10 1g3g h GLU 137 Cb 1.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1g3g h GLU 137 CO 0.48 0.22 0.00 -1.13 -2.18 0.00 0.00 179.01 176.40 1g3g n SER 138 N -4.49 2.57 -0.98 1.04 3.41 -1.26 -4.13 113.62 109.78 1g3g n SER 138 Ca 0.20 -1.89 0.04 0.00 -0.26 0.00 0.00 58.87 56.96 1g3g n SER 138 Cb 0.78 -0.23 0.14 0.00 -0.26 0.00 0.00 64.21 64.64 1g3g n SER 138 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1g3g n ASP 139 N 0.91 1.64 -4.68 4.04 2.03 0.19 -5.04 116.55 115.64 1g3g n ASP 139 Ca 0.17 -3.29 -0.34 0.00 0.52 0.00 0.00 54.79 51.85 1g3g n ASP 139 Cb 0.45 -0.45 -0.09 0.00 -0.72 0.00 0.00 41.12 40.30 1g3g n ASP 139 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1g3g s ILE 140 N -2.35 4.26 -0.06 5.18 1.01 -1.11 -4.39 121.20 123.75 1g3g s ILE 140 Ca 0.37 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.76 1g3g s ILE 140 Cb 0.38 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 1g3g s ILE 140 CO -0.09 0.56 -0.25 -0.76 0.00 0.00 0.00 174.94 174.40 1g3g s LEU 141 N -1.01 2.06 0.13 2.97 2.01 0.33 -4.99 118.68 120.18 1g3g s LEU 141 Ca 0.14 -0.50 0.08 0.00 0.01 0.00 0.00 54.13 53.87 1g3g s LEU 141 Cb -0.11 -1.34 -0.04 0.00 0.01 0.00 0.00 46.19 44.71 1g3g s LEU 141 CO 0.04 0.24 -0.20 -0.44 1.01 0.00 0.00 176.35 177.00 1g3g s SER 142 N -0.16 2.59 0.06 2.29 0.01 -1.26 0.19 113.70 117.41 1g3g s SER 142 Ca -0.03 -0.77 0.07 0.00 1.31 0.00 0.00 55.95 56.53 1g3g s SER 142 Cb -0.13 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 1g3g s SER 142 CO 0.03 0.01 -0.19 -0.76 0.41 0.00 0.00 173.24 172.74 1g3g s LEU 143 N -2.25 2.20 -0.01 2.44 1.02 0.34 -3.95 118.68 118.48 1g3g s LEU 143 Ca 0.10 -0.55 0.04 0.00 0.02 0.00 0.00 54.13 53.74 1g3g s LEU 143 Cb -0.08 -0.88 -0.01 0.00 0.02 0.00 0.00 46.19 45.24 1g3g s LEU 143 CO 0.05 0.11 -0.12 -0.69 0.02 0.00 0.00 176.35 175.73 1g3g s VAL 144 N -0.89 0.91 -0.07 -1.59 1.01 -0.98 0.54 120.40 119.32 1g3g s VAL 144 Ca 0.06 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1g3g s VAL 144 Cb -0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1g3g s VAL 144 CO 0.02 0.24 -0.08 -0.51 0.00 0.00 0.00 175.10 174.77 1g3g s ILE 145 N -0.30 3.60 -0.31 2.22 2.07 0.53 0.17 121.20 129.18 1g3g s ILE 145 Ca 0.04 -0.52 0.03 0.00 -1.41 0.00 0.00 60.65 58.79 1g3g s ILE 145 Cb -0.05 -2.46 0.08 0.00 0.13 0.00 0.00 42.46 40.16 1g3g s ILE 145 CO -0.00 0.59 0.00 0.12 -1.91 0.00 0.00 174.94 173.74 1g3g s PHE 146 N -0.76 3.54 -0.18 3.50 5.36 0.47 -3.47 117.98 126.44 1g3g s PHE 146 Ca 0.12 -2.65 -0.12 0.00 -0.96 0.00 0.00 56.93 53.32 1g3g s PHE 146 Cb -0.11 -2.54 -0.05 0.00 -0.34 0.00 0.00 43.02 39.98 1g3g s PHE 146 CO 0.01 -0.92 0.21 0.42 -1.46 0.00 0.00 175.22 173.49 1g3g s ILE 147 N 1.01 5.36 0.03 3.12 1.09 -1.26 -0.87 121.20 129.68 1g3g s ILE 147 Ca 0.03 0.36 -0.26 0.00 -1.10 0.00 0.00 60.65 59.67 1g3g s ILE 147 Cb -0.20 -3.55 -0.05 0.00 -1.06 0.00 0.00 42.46 37.60 1g3g s ILE 147 CO -0.06 0.41 0.83 0.54 -0.10 0.00 0.00 174.94 176.55 1g3g s ASN 148 N 0.46 7.26 0.57 3.58 2.20 -1.26 -4.88 114.94 122.86 1g3g s ASN 148 Ca 0.12 1.51 0.35 0.00 -0.94 0.00 0.00 52.86 53.89 1g3g s ASN 148 Cb -0.12 -2.50 1.56 0.00 -2.00 0.00 0.00 41.25 38.19 1g3g s ASN 148 CO 0.01 -0.07 2.06 0.44 -2.94 0.00 0.00 177.10 176.61 1g3g h ASP 149 N 6.01 0.00 -0.73 3.54 3.32 -1.97 -2.93 116.42 123.66 1g3g h ASP 149 Ca -0.43 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.67 1g3g h ASP 149 Cb 1.21 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 1g3g h ASP 149 CO 0.72 0.03 0.44 0.11 -1.72 0.00 0.00 179.24 178.82 1g3g h LYS 150 N 0.00 0.81 -0.56 3.56 6.56 -1.92 -2.01 116.57 123.01 1g3g h LYS 150 Ca -0.00 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1g3g h LYS 150 Cb 0.41 -0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 31.86 1g3g h LYS 150 CO 0.00 0.54 0.36 0.35 -2.06 0.00 0.00 179.45 178.65 1g3g h PHE 151 N 0.84 0.69 -0.71 -1.35 3.04 -1.69 -2.02 116.94 115.74 1g3g h PHE 151 Ca 0.31 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.30 1g3g h PHE 151 Cb 0.11 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.35 1g3g h PHE 151 CO -0.05 0.42 0.47 -0.22 -2.02 0.00 0.00 178.31 176.91 1g3g h LYS 152 N 0.74 0.89 -0.45 1.11 3.64 -1.51 -1.82 116.57 119.16 1g3g h LYS 152 Ca 0.21 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1g3g h LYS 152 Cb -0.05 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1g3g h LYS 152 CO -0.06 0.59 -0.07 0.37 -2.27 0.00 0.00 179.45 178.00 1g3g h GLN 153 N 0.91 0.79 -0.45 1.90 5.75 -0.70 -1.58 115.11 121.74 1g3g h GLN 153 Ca 0.27 -0.25 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1g3g h GLN 153 Cb -0.03 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1g3g h GLN 153 CO -0.07 0.85 0.29 0.00 -2.65 0.00 0.00 178.83 177.25 1g3g h LEU 155 N 0.60 0.95 -0.15 0.00 7.12 -1.35 0.94 115.31 123.42 1g3g h LEU 155 Ca 0.17 -0.40 -0.00 0.00 0.13 0.00 0.00 57.88 57.78 1g3g h LEU 155 Cb -0.06 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 39.80 1g3g h LEU 155 CO -0.04 1.18 0.09 -0.08 -0.13 0.00 0.00 178.44 179.46 1g3g h GLU 156 N 0.76 0.20 0.06 1.25 4.81 -0.94 -3.09 114.58 117.63 1g3g h GLU 156 Ca 0.08 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 59.03 1g3g h GLU 156 Cb 0.89 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1g3g h GLU 156 CO 0.08 0.17 -1.31 -0.56 -0.73 0.00 0.00 179.01 176.66 1g3g h GLN 157 N 0.17 0.12 -6.70 1.92 3.07 -1.12 -3.49 115.11 109.09 1g3g h GLN 157 Ca 0.05 -0.20 -0.50 0.00 0.09 0.00 0.00 58.65 58.09 1g3g h GLN 157 Cb 0.02 0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.66 1g3g h GLN 157 CO -0.01 0.99 -0.99 0.27 0.09 0.00 0.00 178.83 179.18 1g3g n ASN 158 N -3.36 -4.79 -4.65 0.06 0.23 0.32 -4.88 115.26 98.20 1g3g n ASN 158 Ca -0.09 -1.06 -0.42 0.00 -0.53 0.00 0.00 54.58 52.49 1g3g n ASN 158 Cb 1.00 -2.05 -0.04 0.00 -2.08 0.00 0.00 39.78 36.61 1g3g n ASN 158 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1g3g s LYS 159 N -5.93 4.19 -0.16 -3.83 -0.14 -1.26 -5.03 119.74 107.58 1g3g s LYS 159 Ca 0.25 0.94 -0.25 0.00 -1.36 0.00 0.00 55.97 55.55 1g3g s LYS 159 Cb -0.13 -3.64 -0.02 0.00 -1.68 0.00 0.00 37.83 32.37 1g3g s LYS 159 CO 0.92 -0.50 0.80 0.08 -0.76 0.00 0.00 175.35 175.89 1g3g s VAL 160 N 2.77 4.91 0.06 3.17 1.01 -1.26 -4.98 120.40 126.07 1g3g s VAL 160 Ca 0.35 1.58 -0.18 0.00 0.00 0.00 0.00 61.98 63.72 1g3g s VAL 160 Cb -0.15 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 1g3g s VAL 160 CO 0.08 0.05 1.29 -2.24 0.00 0.00 0.00 175.10 174.28 1g3g h ASP 161 N 7.31 -0.88 -5.46 3.32 3.04 -1.95 -3.48 116.42 118.33 1g3g h ASP 161 Ca -0.30 0.10 0.01 0.00 -3.24 0.00 0.00 57.03 53.59 1g3g h ASP 161 Cb 1.14 0.33 -0.08 0.00 -1.04 0.00 0.00 39.33 39.68 1g3g h ASP 161 CO 0.82 -0.28 -1.00 -1.14 -2.04 0.00 0.00 179.24 175.60 1g3g n ARG 162 N -4.06 -3.32 -3.62 4.15 3.00 -1.26 -4.94 116.66 106.61 1g3g n ARG 162 Ca -0.04 2.60 -0.39 0.00 -0.00 0.00 0.00 57.85 60.02 1g3g n ARG 162 Cb 0.21 -3.47 -0.11 0.00 0.00 0.00 0.00 32.46 29.09 1g3g n ARG 162 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1g3g s ILE 163 N -0.46 4.72 -2.00 5.15 -1.09 -1.26 -5.31 121.20 120.94 1g3g s ILE 163 Ca -0.17 -0.48 0.16 0.00 -2.23 0.00 0.00 60.65 57.93 1g3g s ILE 163 Cb 0.01 -3.46 0.46 0.00 -1.58 0.00 0.00 42.46 37.90 1g3g s ILE 163 CO 0.49 -0.01 1.37 0.54 -1.23 0.00 0.00 174.94 176.11