#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 4.26 -1.01 1.61 1.02 -1.26 -4.69 120.64 120.57 1g3g n GLU 2 Ca 0.00 -4.67 -0.01 0.00 -0.02 0.00 0.00 57.16 52.46 1g3g n GLU 2 Cb 0.00 -2.35 0.15 0.00 -0.02 0.00 0.00 31.44 29.22 1g3g n GLU 2 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1g3g n ASN 3 N -0.19 2.46 -3.22 1.62 0.23 -1.26 -4.94 115.26 109.95 1g3g n ASN 3 Ca 0.40 -3.76 -0.01 0.00 -0.53 0.00 0.00 54.58 50.68 1g3g n ASN 3 Cb 0.33 -0.47 -0.03 0.00 -2.08 0.00 0.00 39.78 37.53 1g3g n ASN 3 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 1g3g s ILE 4 N -3.44 -0.85 -0.15 1.53 -4.36 -1.26 -5.03 121.20 107.64 1g3g s ILE 4 Ca 0.41 -0.06 -0.11 0.00 -0.26 0.00 0.00 60.65 60.62 1g3g s ILE 4 Cb 0.38 -0.95 -0.24 0.00 1.25 0.00 0.00 42.46 42.90 1g3g s ILE 4 CO -0.05 -0.07 0.32 0.35 0.24 0.00 0.00 174.94 175.73 1g3g n THR 5 N 5.40 1.71 -3.33 8.37 -2.24 -1.26 -4.75 114.28 118.18 1g3g n THR 5 Ca -0.00 -0.47 -0.25 0.00 -2.27 0.00 0.00 64.05 61.06 1g3g n THR 5 Cb 0.51 -1.83 -0.09 0.00 -2.10 0.00 0.00 70.33 66.82 1g3g n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g3g n GLN 6 N -3.77 0.25 -0.89 -0.78 3.00 -1.26 -5.03 117.38 108.89 1g3g n GLN 6 Ca -0.32 -3.08 -0.29 0.00 -0.01 0.00 0.00 57.00 53.29 1g3g n GLN 6 Cb 0.94 -1.62 -0.03 0.00 0.00 0.00 0.00 30.24 29.53 1g3g n GLN 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1g3g n PRO 7 N 2.74 1.90 -0.10 -1.09 -0.04 -1.26 -4.21 135.00 132.93 1g3g n PRO 7 Ca 0.28 -1.61 -0.14 0.00 -0.04 0.00 0.00 63.50 61.99 1g3g n PRO 7 Cb 0.49 -2.62 -0.09 0.00 -0.04 0.00 0.00 33.50 31.23 1g3g n PRO 7 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1g3g n THR 8 N 4.82 1.16 -1.37 0.52 -1.04 -1.26 -4.55 114.28 112.57 1g3g n THR 8 Ca 0.46 -0.44 -0.34 0.00 -2.04 0.00 0.00 64.05 61.69 1g3g n THR 8 Cb 0.23 -1.22 0.07 0.00 -1.82 0.00 0.00 70.33 67.58 1g3g n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g3g n GLN 9 N -3.10 2.60 -1.77 -2.82 10.64 -1.26 -4.44 117.38 117.23 1g3g n GLN 9 Ca -0.36 -3.12 -0.14 0.00 -1.83 0.00 0.00 57.00 51.55 1g3g n GLN 9 Cb 0.88 -2.21 0.06 0.00 -0.86 0.00 0.00 30.24 28.11 1g3g n GLN 9 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1g3g n GLN 10 N -0.69 2.90 -1.89 2.61 1.13 -1.26 -5.06 117.38 115.11 1g3g n GLN 10 Ca 0.58 -3.86 0.00 0.00 -1.94 0.00 0.00 57.00 51.78 1g3g n GLN 10 Cb 0.59 -2.01 0.00 0.00 0.11 0.00 0.00 30.24 28.93 1g3g n GLN 10 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1g3g n SER 11 N -0.75 -8.52 0.00 1.08 3.41 -1.26 -5.03 113.62 102.55 1g3g n SER 11 Ca 0.34 1.26 0.00 0.00 -0.26 0.00 0.00 58.87 60.21 1g3g n SER 11 Cb 0.90 -4.71 0.00 0.00 -0.26 0.00 0.00 64.21 60.14 1g3g n SER 11 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1g3g n THR 12 N 1.44 0.00 -2.41 6.66 5.66 -1.26 -5.07 114.28 119.31 1g3g n THR 12 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1g3g n THR 12 Cb 0.00 -0.65 -0.04 0.00 -1.55 0.00 0.00 70.33 68.09 1g3g n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1g3g n GLN 13 N -2.52 -4.09 -0.87 1.09 6.02 -1.26 -5.06 117.38 110.69 1g3g n GLN 13 Ca 0.00 3.13 0.00 0.00 -0.01 0.00 0.00 57.00 60.12 1g3g n GLN 13 Cb 0.45 -4.50 0.00 0.00 1.02 0.00 0.00 30.24 27.21 1g3g n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g3g n ALA 14 N 1.50 0.00 0.06 -1.58 0.00 -1.26 -5.09 120.51 114.14 1g3g n ALA 14 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1g3g n ALA 14 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1g3g n ALA 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1g3g n THR 15 N -1.11 0.82 -0.09 0.00 -1.04 -1.26 -4.60 114.28 107.00 1g3g n THR 15 Ca 0.00 0.27 -0.10 0.00 -2.04 0.00 0.00 64.05 62.18 1g3g n THR 15 Cb 0.00 -1.33 -0.03 0.00 -1.82 0.00 0.00 70.33 67.15 1g3g n THR 15 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 1g3g h GLN 16 N 0.00 0.45 -0.89 -2.82 3.07 -2.00 -2.68 115.11 110.24 1g3g h GLN 16 Ca 0.00 -0.11 0.01 0.00 0.09 0.00 0.00 58.65 58.65 1g3g h GLN 16 Cb 0.11 -0.06 -0.04 0.00 0.08 0.00 0.00 27.48 27.56 1g3g h GLN 16 CO 0.00 0.53 0.59 0.00 0.09 0.00 0.00 178.83 180.04 1g3g h ARG 17 N 0.28 1.15 -0.83 0.06 3.08 -2.01 -2.23 114.38 113.89 1g3g h ARG 17 Ca 0.09 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1g3g h ARG 17 Cb 0.28 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1g3g h ARG 17 CO 0.00 0.76 0.51 0.35 -1.07 0.00 0.00 179.97 180.52 1g3g h PHE 18 N 1.19 1.10 -0.91 3.04 3.57 -1.76 -1.91 116.94 121.24 1g3g h PHE 18 Ca 0.33 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.84 1g3g h PHE 18 Cb -0.12 -0.36 -0.05 0.00 2.79 0.00 0.00 35.95 38.22 1g3g h PHE 18 CO -0.00 0.73 0.61 -0.07 -2.23 0.00 0.00 178.31 177.34 1g3g h LEU 19 N 1.14 1.04 -0.55 0.59 3.38 -1.07 -2.28 115.31 117.56 1g3g h LEU 19 Ca 0.30 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.10 1g3g h LEU 19 Cb -0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1g3g h LEU 19 CO -0.06 0.74 -0.42 0.40 0.09 0.00 0.00 178.44 179.19 1g3g h ILE 20 N 1.22 1.29 -0.71 1.22 1.08 -1.24 -3.06 117.51 117.31 1g3g h ILE 20 Ca 0.34 -1.60 0.06 0.00 -0.39 0.00 0.00 64.86 63.27 1g3g h ILE 20 Cb -0.11 1.53 -0.04 0.00 -3.07 0.00 0.00 36.82 35.13 1g3g h ILE 20 CO -0.08 0.52 0.47 -0.08 -0.69 0.00 0.00 178.15 178.28 1g3g h GLU 21 N 0.56 0.72 -0.08 2.37 4.81 -0.78 -0.72 114.58 121.46 1g3g h GLU 21 Ca 0.04 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1g3g h GLU 21 Cb 0.96 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1g3g h GLU 21 CO 0.09 0.48 0.06 0.87 -0.73 0.00 0.00 179.01 179.77 1g3g h LYS 22 N 0.74 0.00 -0.18 1.92 1.57 -1.39 -2.25 116.57 116.98 1g3g h LYS 22 Ca 0.31 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1g3g h LYS 22 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1g3g h LYS 22 CO -0.10 0.00 0.02 0.35 -0.57 0.00 0.00 179.45 179.14 1g3g h PHE 23 N 0.00 0.33 -0.35 -1.35 3.04 -1.23 -3.16 116.94 114.21 1g3g h PHE 23 Ca 0.04 -0.05 0.03 0.00 3.98 0.00 0.00 57.97 61.97 1g3g h PHE 23 Cb 0.15 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 1g3g h PHE 23 CO 0.00 0.49 0.17 0.77 -2.02 0.00 0.00 178.31 177.71 1g3g h SER 24 N 0.07 0.24 -2.71 0.41 0.02 -1.43 -3.43 113.55 106.72 1g3g h SER 24 Ca 0.05 0.02 -0.45 0.00 -0.84 0.00 0.00 61.79 60.57 1g3g h SER 24 Cb 0.34 -0.02 0.07 0.00 0.14 0.00 0.00 62.40 62.93 1g3g h SER 24 CO 0.01 0.18 0.07 0.00 -1.14 0.00 0.00 176.83 175.94 1g3g s GLN 25 N -6.16 2.18 -0.03 3.45 -2.07 -1.07 -5.05 119.66 110.92 1g3g s GLN 25 Ca -0.13 -0.76 -0.30 0.00 -1.82 0.00 0.00 55.36 52.36 1g3g s GLN 25 Cb 0.11 -2.36 -0.03 0.00 -1.09 0.00 0.00 33.01 29.64 1g3g s GLN 25 CO 0.71 -1.07 0.98 -1.21 -1.32 0.00 0.00 175.29 173.38 1g3g s GLU 26 N -5.00 4.52 -0.46 9.60 2.02 -1.26 -4.83 118.70 123.30 1g3g s GLU 26 Ca 0.61 1.39 -0.28 0.00 0.02 0.00 0.00 54.97 56.71 1g3g s GLU 26 Cb -0.09 -3.48 0.03 0.00 0.10 0.00 0.00 34.13 30.69 1g3g s GLU 26 CO 0.42 -0.11 1.08 -0.65 0.02 0.00 0.00 175.26 176.02 1g3g s GLN 27 N 1.23 3.72 0.12 1.61 -0.21 -1.26 -5.01 119.66 119.85 1g3g s GLN 27 Ca 0.51 0.52 -0.23 0.00 0.02 0.00 0.00 55.36 56.18 1g3g s GLN 27 Cb -0.20 -3.89 -0.07 0.00 1.00 0.00 0.00 33.01 29.84 1g3g s GLN 27 CO 0.25 -1.30 0.70 0.42 -2.12 0.00 0.00 175.29 173.24 1g3g s ILE 28 N 4.22 4.55 -0.61 1.08 -1.09 -1.26 -5.02 121.20 123.07 1g3g s ILE 28 Ca 0.45 1.51 0.06 0.00 -2.23 0.00 0.00 60.65 60.44 1g3g s ILE 28 Cb -0.08 -4.05 0.23 0.00 -1.58 0.00 0.00 42.46 36.99 1g3g s ILE 28 CO 0.29 0.52 0.66 0.61 -1.23 0.00 0.00 174.94 175.78 1g3g n GLY 29 N 1.75 4.30 0.16 6.18 0.00 -1.26 -4.87 105.19 111.45 1g3g n GLY 29 Ca -0.07 -2.52 0.04 0.00 0.00 0.00 0.00 46.02 43.47 1g3g n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1g3g h GLU 30 N 4.41 0.00 0.00 1.61 4.81 -2.00 -3.22 114.58 120.19 1g3g h GLU 30 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1g3g h GLU 30 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1g3g h GLU 30 CO 0.75 0.44 -0.97 0.09 -0.73 0.00 0.00 179.01 178.58 1g3g n ASN 31 N -3.27 1.34 -4.59 1.04 4.13 -1.26 -4.80 115.26 107.84 1g3g n ASN 31 Ca 0.02 -0.42 -0.43 0.00 1.68 0.00 0.00 54.58 55.43 1g3g n ASN 31 Cb 0.66 1.24 -0.03 0.00 -1.54 0.00 0.00 39.78 40.12 1g3g n ASN 31 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1g3g s ILE 32 N -2.39 3.64 0.03 2.41 -1.09 -1.22 -2.60 121.20 119.97 1g3g s ILE 32 Ca 0.00 0.63 -0.10 0.00 -2.23 0.00 0.00 60.65 58.95 1g3g s ILE 32 Cb 0.08 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1g3g s ILE 32 CO 0.47 -0.61 1.16 0.58 -1.23 0.00 0.00 174.94 175.30 1g3g h VAL 33 N 6.67 0.00 -3.34 2.92 2.07 -1.68 -3.44 116.25 119.45 1g3g h VAL 33 Ca -0.31 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1g3g h VAL 33 Cb 1.14 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.81 1g3g h VAL 33 CO 1.07 0.00 0.01 0.00 0.02 0.00 0.00 177.57 178.67 1g3g s ARG 35 N -3.89 1.41 -0.09 0.00 3.52 0.33 0.13 118.95 120.37 1g3g s ARG 35 Ca 0.10 -0.49 -0.21 0.00 -0.13 0.00 0.00 55.73 55.00 1g3g s ARG 35 Cb -0.01 -1.96 -0.04 0.00 -1.56 0.00 0.00 34.95 31.38 1g3g s ARG 35 CO -0.02 -0.42 0.60 0.08 -0.81 0.00 0.00 175.30 174.72 1g3g s VAL 36 N 1.65 5.11 -0.26 7.11 1.01 -1.03 0.13 120.40 134.12 1g3g s VAL 36 Ca 0.01 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.23 1g3g s VAL 36 Cb -0.15 -3.94 0.07 0.00 0.00 0.00 0.00 36.38 32.36 1g3g s VAL 36 CO -0.08 0.29 -0.07 -0.63 0.00 0.00 0.00 175.10 174.62 1g3g s ILE 37 N 0.70 1.93 -0.56 2.22 1.01 0.45 -2.54 121.20 124.42 1g3g s ILE 37 Ca 0.32 -1.58 -0.18 0.00 0.00 0.00 0.00 60.65 59.21 1g3g s ILE 37 Cb -0.17 -2.15 0.10 0.00 0.01 0.00 0.00 42.46 40.25 1g3g s ILE 37 CO 0.14 -0.14 0.63 0.00 0.00 0.00 0.00 174.94 175.57 1g3g n THR 39 N 5.49 0.23 0.48 0.00 5.66 -1.26 -4.48 114.28 120.39 1g3g n THR 39 Ca -0.10 -0.62 0.12 0.00 -3.05 0.00 0.00 64.05 60.41 1g3g n THR 39 Cb 0.43 1.05 0.24 0.00 -1.55 0.00 0.00 70.33 70.50 1g3g n THR 39 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1g3g h THR 40 N 1.98 0.00 0.00 1.09 1.35 -1.89 -3.47 112.91 111.96 1g3g h THR 40 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1g3g h THR 40 Cb 0.49 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1g3g h THR 40 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1g3g n GLY 41 N 1.27 0.57 1.73 5.82 0.00 -1.26 -4.88 105.19 108.43 1g3g n GLY 41 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 0.00 -4.21 1.61 6.02 -1.26 -5.06 117.38 114.47 1g3g n GLN 42 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 1g3g n GLN 42 Cb 0.00 -0.01 -0.15 0.00 1.02 0.00 0.00 30.24 31.11 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 -1.06 0.50 0.57 5.09 1.09 -1.26 -5.13 121.20 121.00 1g3g s ILE 43 Ca 0.00 -0.25 -0.21 0.00 -1.10 0.00 0.00 60.65 59.09 1g3g s ILE 43 Cb 0.00 -0.43 -0.04 0.00 -1.06 0.00 0.00 42.46 40.93 1g3g s ILE 43 CO 0.00 0.15 1.31 -2.65 -0.10 0.00 0.00 174.94 173.64 1g3g n PRO 44 N 3.03 1.49 -1.42 2.79 -0.02 -1.26 -3.93 135.00 135.68 1g3g n PRO 44 Ca -0.14 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.50 1g3g n PRO 44 Cb 0.57 -2.52 0.02 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.28 1.64 -3.71 4.25 5.41 -1.26 -4.77 119.36 119.64 1g3g n ILE 45 Ca 0.12 -0.50 -0.11 0.00 1.00 0.00 0.00 62.75 63.26 1g3g n ILE 45 Cb 0.45 -0.50 -0.11 0.00 -0.71 0.00 0.00 39.64 38.77 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 -1.70 0.34 -0.26 0.38 6.06 -1.05 -5.03 118.95 117.68 1g3g s ARG 46 Ca 0.65 0.71 -0.19 0.00 -2.50 0.00 0.00 55.73 54.40 1g3g s ARG 46 Cb -0.50 -0.05 -0.02 0.00 0.06 0.00 0.00 34.95 34.44 1g3g s ARG 46 CO 0.58 -0.16 0.55 -0.51 -2.50 0.00 0.00 175.30 173.26 1g3g s ASP 47 N 1.33 6.47 -0.22 -2.12 1.01 -1.26 -2.47 116.67 119.42 1g3g s ASP 47 Ca -0.09 0.55 -0.18 0.00 0.71 0.00 0.00 52.55 53.55 1g3g s ASP 47 Cb -0.09 -2.30 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1g3g s ASP 47 CO -0.11 -0.32 0.49 -0.76 0.21 0.00 0.00 175.17 174.67 1g3g s LEU 48 N 2.38 4.12 0.10 1.23 2.01 0.12 -5.00 118.68 123.65 1g3g s LEU 48 Ca 0.23 0.60 0.04 0.00 0.01 0.00 0.00 54.13 55.00 1g3g s LEU 48 Cb -0.16 -2.65 -0.04 0.00 0.01 0.00 0.00 46.19 43.36 1g3g s LEU 48 CO 0.09 -0.18 -0.10 -0.44 1.01 0.00 0.00 176.35 176.73 1g3g s SER 49 N 1.23 1.47 -0.11 2.29 0.01 -1.26 -1.28 113.70 116.06 1g3g s SER 49 Ca 0.22 -0.84 -0.13 0.00 1.31 0.00 0.00 55.95 56.51 1g3g s SER 49 Cb -0.15 0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1g3g s SER 49 CO 0.09 -0.28 0.35 0.00 0.41 0.00 0.00 173.24 173.81 1g3g s ALA 50 N -2.58 -0.87 -0.30 1.44 0.00 -1.07 -4.77 121.76 113.61 1g3g s ALA 50 Ca 0.07 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 52.60 1g3g s ALA 50 Cb -0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1g3g s ALA 50 CO -0.00 -0.19 1.87 -0.51 0.00 0.00 0.00 175.76 176.93 1g3g s ASP 51 N -0.15 5.84 0.41 0.00 1.01 -1.26 -4.52 116.67 118.00 1g3g s ASP 51 Ca -0.03 1.45 0.12 0.00 0.71 0.00 0.00 52.55 54.80 1g3g s ASP 51 Cb -0.03 -2.52 0.96 0.00 1.01 0.00 0.00 42.92 42.33 1g3g s ASP 51 CO 0.01 -1.73 1.96 0.40 0.21 0.00 0.00 175.17 176.02 1g3g h ILE 52 N 6.84 0.90 -0.64 0.77 2.04 -1.91 -0.72 117.51 124.80 1g3g h ILE 52 Ca -0.35 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.42 1g3g h ILE 52 Cb 1.18 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 1g3g h ILE 52 CO 1.01 0.09 0.42 -1.28 0.00 0.00 0.00 178.15 178.40 1g3g h SER 53 N 0.50 0.48 -0.32 1.72 0.87 -1.98 0.36 113.55 115.18 1g3g h SER 53 Ca 0.31 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1g3g h SER 53 Cb 0.54 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1g3g h SER 53 CO -0.10 0.30 -0.00 1.56 -0.53 0.00 0.00 176.83 178.06 1g3g h GLN 54 N 0.54 0.57 -0.11 2.24 4.20 -1.40 -1.91 115.11 119.24 1g3g h GLN 54 Ca 0.29 -0.18 -0.22 0.00 0.06 0.00 0.00 58.65 58.59 1g3g h GLN 54 Cb 0.42 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.16 1g3g h GLN 54 CO -0.09 0.70 -0.79 0.28 -0.67 0.00 0.00 178.83 178.27 1g3g h VAL 55 N 0.37 1.29 -0.82 -0.54 2.07 -1.32 0.91 116.25 118.22 1g3g h VAL 55 Ca 0.09 -2.01 0.02 0.00 0.82 0.00 0.00 66.70 65.63 1g3g h VAL 55 Cb 0.45 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 1g3g h VAL 55 CO 0.02 0.63 0.54 -0.07 0.02 0.00 0.00 177.57 178.70 1g3g h LEU 56 N 0.44 0.90 0.00 2.57 -0.00 -0.31 -3.23 115.31 115.68 1g3g h LEU 56 Ca -0.07 -0.02 -0.30 0.00 -0.00 0.00 0.00 57.88 57.50 1g3g h LEU 56 Cb 1.43 -0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 41.83 1g3g h LEU 56 CO 0.16 0.64 -1.63 0.29 -0.00 0.00 0.00 178.44 177.90 1g3g n LYS 57 N -4.43 0.57 -2.81 1.13 4.76 -0.72 -4.65 118.16 112.01 1g3g n LYS 57 Ca 0.10 0.49 -0.08 0.00 -2.87 0.00 0.00 58.31 55.95 1g3g n LYS 57 Cb 0.07 -1.67 0.01 0.00 -1.84 0.00 0.00 35.03 31.60 1g3g n LYS 57 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1g3g n GLU 58 N -4.38 -2.32 0.04 1.97 2.13 0.32 -5.02 120.64 113.38 1g3g n GLU 58 Ca -0.39 2.08 0.00 0.00 0.66 0.00 0.00 57.16 59.52 1g3g n GLU 58 Cb 0.74 -5.58 0.00 0.00 0.27 0.00 0.00 31.44 26.87 1g3g n GLU 58 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1g3g n LYS 59 N -0.31 0.00 -2.50 5.31 4.81 -1.26 -4.95 118.16 119.26 1g3g n LYS 59 Ca 0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.53 1g3g n LYS 59 Cb 0.45 -0.18 0.05 0.00 0.02 0.00 0.00 35.03 35.36 1g3g n LYS 59 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1g3g n ARG 60 N -3.03 1.79 -3.15 1.64 1.74 -1.26 -5.00 116.66 109.38 1g3g n ARG 60 Ca 0.00 -3.42 0.06 0.00 -0.77 0.00 0.00 57.85 53.72 1g3g n ARG 60 Cb 0.00 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 29.92 1g3g n ARG 60 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1g3g s SER 61 N -3.54 -0.39 -0.37 0.55 1.04 -1.26 -5.07 113.70 104.66 1g3g s SER 61 Ca 0.32 0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.90 1g3g s SER 61 Cb 0.34 1.27 0.26 0.00 0.10 0.00 0.00 66.02 67.99 1g3g s SER 61 CO -0.04 -0.07 1.23 0.00 0.98 0.00 0.00 173.24 175.33 1g3g n ILE 62 N 5.23 0.00 -2.75 -1.02 3.06 -1.26 -4.21 119.36 118.41 1g3g n ILE 62 Ca 0.04 -1.06 -0.08 0.00 -2.50 0.00 0.00 62.75 59.15 1g3g n ILE 62 Cb 0.57 0.96 0.05 0.00 0.54 0.00 0.00 39.64 41.76 1g3g n ILE 62 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 1g3g n LYS 63 N -0.21 0.76 -3.63 9.51 2.85 -1.26 -4.31 118.16 121.88 1g3g n LYS 63 Ca -0.10 -1.71 -0.37 0.00 -1.05 0.00 0.00 58.31 55.08 1g3g n LYS 63 Cb 0.74 -1.44 -0.10 0.00 -0.65 0.00 0.00 35.03 33.58 1g3g n LYS 63 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1g3g s LYS 64 N 0.69 4.04 -0.06 -1.58 2.20 -0.99 -4.93 119.74 119.10 1g3g s LYS 64 Ca 0.32 -0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.71 1g3g s LYS 64 Cb 0.23 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1g3g s LYS 64 CO -0.25 -0.02 -0.17 0.08 -0.36 0.00 0.00 175.35 174.64 1g3g s VAL 65 N 1.28 1.42 -0.11 4.02 1.01 -1.26 0.31 120.40 127.07 1g3g s VAL 65 Ca 0.08 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 1g3g s VAL 65 Cb -0.14 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1g3g s VAL 65 CO 0.06 0.41 0.17 0.26 0.00 0.00 0.00 175.10 176.00 1g3g s TRP 66 N 0.24 3.61 -0.06 5.22 0.51 0.53 -4.85 118.94 124.14 1g3g s TRP 66 Ca -0.08 0.57 0.02 0.00 -2.12 0.00 0.00 56.10 54.49 1g3g s TRP 66 Cb -0.13 -1.98 0.02 0.00 -0.81 0.00 0.00 33.47 30.57 1g3g s TRP 66 CO 0.03 0.73 -0.08 0.99 -0.51 0.00 0.00 176.95 178.11 1g3g s THR 67 N -1.02 0.85 -0.31 2.01 2.01 -1.26 0.23 115.64 118.15 1g3g s THR 67 Ca 0.16 -0.31 -0.12 0.00 0.31 0.00 0.00 61.69 61.73 1g3g s THR 67 Cb -0.12 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 1g3g s THR 67 CO 0.05 0.30 0.21 -0.36 -0.69 0.00 0.00 174.62 174.13 1g3g s PHE 68 N 0.83 3.22 -5.00 4.92 0.08 0.35 0.31 117.98 122.69 1g3g s PHE 68 Ca -0.12 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.87 1g3g s PHE 68 Cb -0.15 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 1g3g s PHE 68 CO 0.02 -0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.28 1g3g n GLY 69 N 5.08 -0.36 3.56 4.36 0.00 -1.21 0.10 105.19 116.72 1g3g n GLY 69 Ca -0.13 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 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 3.10 0.05 1.61 1.70 -1.25 -3.58 118.95 118.58 1g3g s ARG 70 Ca 0.00 -0.62 -0.14 0.00 -0.47 0.00 0.00 55.73 54.50 1g3g s ARG 70 Cb 0.00 -5.09 0.02 0.00 -0.57 0.00 0.00 34.95 29.32 1g3g s ARG 70 CO 0.00 -2.68 0.32 0.54 -1.08 0.00 0.00 175.30 172.40 1g3g s ASN 71 N 6.24 -0.14 0.07 -2.89 2.20 -1.26 -4.71 114.94 114.45 1g3g s ASN 71 Ca 0.56 -0.19 0.04 0.00 -0.94 0.00 0.00 52.86 52.33 1g3g s ASN 71 Cb -0.04 0.37 0.23 0.00 -2.00 0.00 0.00 41.25 39.81 1g3g s ASN 71 CO -0.02 -0.64 1.06 -2.65 -2.94 0.00 0.00 177.10 171.91 1g3g n PRO 72 N 0.51 0.03 0.00 3.55 -0.02 -1.26 -3.98 135.00 133.82 1g3g n PRO 72 Ca -0.18 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1g3g n PRO 72 Cb 0.60 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1g3g n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g3g n ALA 73 N -1.49 0.00 0.01 3.55 0.00 -1.26 -4.36 120.51 116.97 1g3g n ALA 73 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1g3g n ALA 73 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.50 1.94 -3.82 0.00 -0.08 0.92 -4.31 116.55 108.69 1g3g n ASP 75 Ca -0.00 0.31 -0.12 0.00 -1.51 0.00 0.00 54.79 53.46 1g3g n ASP 75 Cb 0.02 -0.85 -0.12 0.00 2.34 0.00 0.00 41.12 42.52 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 -0.15 -0.48 -0.67 6.14 -1.11 -4.89 117.35 113.73 1g3g s TYR 76 Ca -0.32 0.34 -0.21 0.00 0.64 0.00 0.00 57.07 57.53 1g3g s TYR 76 Cb 0.09 0.04 0.04 0.00 0.42 0.00 0.00 41.96 42.56 1g3g s TYR 76 CO 0.58 -0.14 0.68 -1.58 0.64 0.00 0.00 175.55 175.73 1g3g s HIS 77 N -0.26 3.02 0.49 4.97 5.65 -1.26 -3.95 115.29 123.95 1g3g s HIS 77 Ca -0.03 -0.26 0.03 0.00 0.25 0.00 0.00 55.06 55.04 1g3g s HIS 77 Cb -0.03 -3.53 -0.03 0.00 -1.18 0.00 0.00 32.58 27.81 1g3g s HIS 77 CO 0.01 -1.01 0.00 -0.48 -0.65 0.00 0.00 174.74 172.61 1g3g s LEU 78 N 2.90 2.44 0.00 8.88 0.05 -1.23 -4.91 118.68 126.81 1g3g s LEU 78 Ca 0.20 -1.58 0.00 0.00 0.05 0.00 0.00 54.13 52.80 1g3g s LEU 78 Cb -0.16 -0.77 0.00 0.00 -2.05 0.00 0.00 46.19 43.20 1g3g s LEU 78 CO 0.16 -0.75 0.00 0.61 -0.55 0.00 0.00 176.35 175.82 1g3g n GLY 79 N -1.19 -3.20 3.14 -3.48 0.00 -1.26 -4.55 105.19 94.64 1g3g n GLY 79 Ca -0.16 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.80 5.36 -0.29 1.61 4.22 -1.26 -4.35 114.94 118.43 1g3g s ASN 80 Ca 0.00 -2.11 -0.03 0.00 -2.14 0.00 0.00 52.86 48.58 1g3g s ASN 80 Cb 0.00 -1.87 0.04 0.00 1.28 0.00 0.00 41.25 40.70 1g3g s ASN 80 CO 0.00 -0.55 -0.00 -0.63 -2.04 0.00 0.00 177.10 173.87 1g3g s ILE 81 N 1.04 3.13 0.61 0.54 -1.09 -1.26 -4.98 121.20 119.18 1g3g s ILE 81 Ca 0.09 -1.18 0.30 0.00 -2.23 0.00 0.00 60.65 57.63 1g3g s ILE 81 Cb -0.23 -2.71 0.36 0.00 -1.58 0.00 0.00 42.46 38.30 1g3g s ILE 81 CO -0.03 0.00 2.02 -1.28 -1.23 0.00 0.00 174.94 174.42 1g3g h SER 82 N 8.05 0.00 0.00 3.58 0.87 -2.00 -3.22 113.55 120.83 1g3g h SER 82 Ca -0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1g3g h SER 82 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1g3g h SER 82 CO 0.56 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 177.40 1g3g n ARG 83 N -3.55 0.00 -3.73 2.24 3.00 -1.26 -4.97 116.66 108.39 1g3g n ARG 83 Ca 0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.49 1g3g n ARG 83 Cb 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.76 1g3g n ARG 83 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1g3g s LEU 84 N 0.00 4.16 0.00 0.55 0.05 -1.26 -4.47 118.68 117.71 1g3g s LEU 84 Ca 0.00 -0.90 0.00 0.00 0.05 0.00 0.00 54.13 53.28 1g3g s LEU 84 Cb 0.00 -1.90 0.00 0.00 -2.05 0.00 0.00 46.19 42.24 1g3g s LEU 84 CO 0.00 -0.27 0.00 -1.20 -0.55 0.00 0.00 176.35 174.33 1g3g n SER 85 N 4.87 0.00 -3.53 1.48 7.64 -1.26 -4.96 113.62 117.87 1g3g n SER 85 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1g3g n SER 85 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1g3g n SER 85 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1g3g n ASN 86 N 0.00 0.00 -3.88 6.43 3.02 -1.22 -3.80 115.26 115.82 1g3g n ASN 86 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.37 1g3g n ASN 86 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1g3g n ASN 86 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1g3g n LYS 87 N 0.00 0.01 0.06 3.52 2.85 -1.25 -3.33 118.16 120.02 1g3g n LYS 87 Ca 0.00 -0.57 0.12 0.00 -1.05 0.00 0.00 58.31 56.81 1g3g n LYS 87 Cb 0.00 -1.90 0.08 0.00 -0.65 0.00 0.00 35.03 32.56 1g3g n LYS 87 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1g3g n HIS 88 N 7.58 0.57 -3.61 5.58 -0.00 0.12 -4.36 115.22 121.10 1g3g n HIS 88 Ca 0.22 0.17 -0.05 0.00 0.46 0.00 0.00 57.72 58.52 1g3g n HIS 88 Cb 0.37 -0.67 -0.04 0.00 -0.12 0.00 0.00 29.99 29.53 1g3g n HIS 88 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 1g3g s PHE 89 N -3.23 -0.16 0.06 1.57 5.36 0.21 -2.66 117.98 119.12 1g3g s PHE 89 Ca 0.04 0.24 0.02 0.00 -0.96 0.00 0.00 56.93 56.26 1g3g s PHE 89 Cb 0.13 0.49 -0.03 0.00 -0.34 0.00 0.00 43.02 43.26 1g3g s PHE 89 CO 0.76 -0.18 -0.07 -1.14 -1.46 0.00 0.00 175.22 173.14 1g3g s GLN 90 N -1.42 0.63 -0.07 10.12 0.74 0.21 0.13 119.66 130.00 1g3g s GLN 90 Ca 0.06 -0.98 0.04 0.00 0.05 0.00 0.00 55.36 54.52 1g3g s GLN 90 Cb -0.01 -0.21 0.00 0.00 1.10 0.00 0.00 33.01 33.90 1g3g s GLN 90 CO -0.04 0.01 -0.18 0.42 -0.55 0.00 0.00 175.29 174.95 1g3g s ILE 91 N -2.33 1.57 -0.05 -2.34 1.01 0.64 0.14 121.20 119.83 1g3g s ILE 91 Ca -0.02 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1g3g s ILE 91 Cb -0.04 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 1g3g s ILE 91 CO -0.02 0.45 -0.13 -0.76 0.00 0.00 0.00 174.94 174.48 1g3g s LEU 92 N 0.32 2.84 -0.07 2.97 1.02 0.37 0.20 118.68 126.32 1g3g s LEU 92 Ca -0.12 -0.16 0.03 0.00 0.02 0.00 0.00 54.13 53.90 1g3g s LEU 92 Cb -0.15 -1.59 0.01 0.00 0.02 0.00 0.00 46.19 44.48 1g3g s LEU 92 CO 0.05 0.35 -0.16 -0.22 0.02 0.00 0.00 176.35 176.38 1g3g s LEU 93 N -0.78 1.81 0.00 1.79 2.96 0.15 0.13 118.68 124.73 1g3g s LEU 93 Ca 0.12 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1g3g s LEU 93 Cb -0.11 -1.01 0.00 0.00 0.50 0.00 0.00 46.19 45.57 1g3g s LEU 93 CO 0.01 0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.73 1g3g n GLY 94 N 3.65 0.42 1.98 7.98 0.00 -0.15 -2.36 105.19 116.70 1g3g n GLY 94 Ca -0.21 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.57 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 -5.11 -1.63 1.61 0.00 -1.26 -3.85 120.64 110.40 1g3g n GLU 95 Ca 0.00 3.67 -0.21 0.00 0.00 0.00 0.00 57.16 60.62 1g3g n GLU 95 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 31.44 27.37 1g3g n GLU 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1g3g n ASP 96 N 1.75 -5.53 -3.50 4.31 2.03 -1.26 -2.91 116.55 111.43 1g3g n ASP 96 Ca 0.00 0.51 -0.25 0.00 0.52 0.00 0.00 54.79 55.57 1g3g n ASP 96 Cb 0.00 -4.88 0.06 0.00 -0.72 0.00 0.00 41.12 35.58 1g3g n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1g3g n GLY 97 N -0.40 -1.07 3.48 0.27 0.00 -1.26 -5.00 105.19 101.20 1g3g n GLY 97 Ca -0.21 0.51 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 1g3g n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g3g n ASN 98 N -2.90 -2.07 -4.68 1.61 3.02 -1.15 -5.03 115.26 104.05 1g3g n ASN 98 Ca -0.08 -2.51 -0.32 0.00 -0.03 0.00 0.00 54.58 51.63 1g3g n ASN 98 Cb 0.60 3.47 -0.09 0.00 -0.61 0.00 0.00 39.78 43.16 1g3g n ASN 98 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1g3g s LEU 99 N 0.00 3.50 0.04 3.41 2.96 -1.26 -0.98 118.68 126.35 1g3g s LEU 99 Ca 0.16 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 1g3g s LEU 99 Cb -0.04 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 1g3g s LEU 99 CO 0.12 0.27 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.55 1g3g s LEU 100 N -1.65 2.21 -0.11 -0.68 2.01 0.34 -2.83 118.68 117.97 1g3g s LEU 100 Ca 0.20 -0.49 0.02 0.00 0.01 0.00 0.00 54.13 53.88 1g3g s LEU 100 Cb -0.12 -0.35 -0.01 0.00 0.01 0.00 0.00 46.19 45.72 1g3g s LEU 100 CO 0.11 -0.09 -0.19 -0.76 1.01 0.00 0.00 176.35 176.44 1g3g s LEU 101 N -1.34 2.40 -0.29 1.79 1.02 0.53 0.14 118.68 122.93 1g3g s LEU 101 Ca -0.04 -0.44 -0.02 0.00 0.02 0.00 0.00 54.13 53.66 1g3g s LEU 101 Cb -0.09 -1.51 0.05 0.00 0.02 0.00 0.00 46.19 44.66 1g3g s LEU 101 CO 0.01 0.17 -0.01 0.21 0.02 0.00 0.00 176.35 176.75 1g3g s ASN 102 N 0.27 4.79 -0.43 2.29 2.47 0.36 0.18 114.94 124.87 1g3g s ASN 102 Ca -0.13 -1.20 -0.27 0.00 0.42 0.00 0.00 52.86 51.68 1g3g s ASN 102 Cb -0.17 -1.70 0.02 0.00 -1.45 0.00 0.00 41.25 37.96 1g3g s ASN 102 CO 0.07 -0.23 1.00 -1.81 -3.72 0.00 0.00 177.10 172.40 1g3g s ASP 103 N 1.26 6.63 -0.26 -4.21 1.01 -1.24 0.66 116.67 120.52 1g3g s ASP 103 Ca -0.04 0.43 0.02 0.00 0.71 0.00 0.00 52.55 53.67 1g3g s ASP 103 Cb -0.19 -2.49 0.07 0.00 1.01 0.00 0.00 42.92 41.32 1g3g s ASP 103 CO -0.02 -1.04 -0.05 0.27 0.21 0.00 0.00 175.17 174.55 1g3g s ILE 104 N 3.87 1.79 0.34 0.77 -4.36 -1.23 0.63 121.20 123.00 1g3g s ILE 104 Ca 0.41 -1.51 0.04 0.00 -0.26 0.00 0.00 60.65 59.33 1g3g s ILE 104 Cb -0.10 -2.06 -0.06 0.00 1.25 0.00 0.00 42.46 41.50 1g3g s ILE 104 CO 0.25 -0.18 0.07 -0.44 0.24 0.00 0.00 174.94 174.87 1g3g s SER 105 N 1.25 2.48 -0.01 4.36 0.01 -1.09 0.66 113.70 121.36 1g3g s SER 105 Ca -0.04 -1.43 -0.14 0.00 1.31 0.00 0.00 55.95 55.65 1g3g s SER 105 Cb -0.19 0.01 -0.08 0.00 0.21 0.00 0.00 66.02 65.97 1g3g s SER 105 CO -0.07 -0.66 0.75 0.74 0.41 0.00 0.00 173.24 174.41 1g3g h THR 106 N 2.05 0.00 0.00 1.44 2.02 -1.83 -3.43 112.91 113.16 1g3g h THR 106 Ca -0.40 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.30 1g3g h THR 106 Cb 1.25 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1g3g h THR 106 CO 0.68 0.00 -1.57 -0.46 0.37 0.00 0.00 175.52 174.54 1g3g n ASN 107 N -4.30 3.06 -3.74 4.18 0.23 -1.26 -5.06 115.26 108.38 1g3g n ASN 107 Ca -0.06 -0.02 -0.12 0.00 -0.53 0.00 0.00 54.58 53.84 1g3g n ASN 107 Cb 0.20 0.38 -0.12 0.00 -2.08 0.00 0.00 39.78 38.16 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 -4.37 -0.17 -0.03 4.83 0.00 -1.26 -5.03 107.32 101.29 1g3g s GLY 108 Ca -0.08 0.95 0.07 0.00 0.00 0.00 0.00 44.72 45.66 1g3g s GLY 108 CO 0.30 1.09 -0.24 -1.59 0.00 0.00 0.00 173.10 172.65 1g3g s THR 109 N 0.92 1.95 0.11 0.90 2.01 -1.26 -4.17 115.64 116.11 1g3g s THR 109 Ca -0.06 -1.04 0.10 0.00 0.31 0.00 0.00 61.69 61.00 1g3g s THR 109 Cb -0.08 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1g3g s THR 109 CO -0.06 0.55 -0.25 0.26 -0.69 0.00 0.00 174.62 174.42 1g3g s TRP 110 N -0.42 2.35 -0.22 4.92 0.51 0.44 0.32 118.94 126.85 1g3g s TRP 110 Ca 0.05 -0.36 0.01 0.00 -2.12 0.00 0.00 56.10 53.68 1g3g s TRP 110 Cb -0.11 -1.29 0.05 0.00 -0.81 0.00 0.00 33.47 31.31 1g3g s TRP 110 CO 0.01 0.32 -0.09 -1.17 -0.51 0.00 0.00 176.95 175.50 1g3g s LEU 111 N -1.95 2.60 -1.64 2.99 2.96 -0.18 0.16 118.68 123.62 1g3g s LEU 111 Ca 0.14 -1.07 -0.14 0.00 -0.22 0.00 0.00 54.13 52.85 1g3g s LEU 111 Cb -0.10 -1.29 0.12 0.00 0.50 0.00 0.00 46.19 45.42 1g3g s LEU 111 CO 0.06 -0.18 0.65 0.59 -1.32 0.00 0.00 176.35 176.16 1g3g n ASN 112 N 4.63 -2.34 0.00 3.68 3.02 -0.31 0.46 115.26 124.40 1g3g n ASN 112 Ca -0.14 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1g3g n ASN 112 Cb 0.45 -2.72 0.00 0.00 -0.61 0.00 0.00 39.78 36.90 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 -1.59 1.55 3.20 7.41 0.00 -1.26 -5.00 105.19 109.50 1g3g n GLY 113 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1g3g n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g3g s GLN 114 N -0.35 2.38 -0.05 1.61 -1.52 0.17 -5.06 119.66 116.85 1g3g s GLN 114 Ca 0.00 -1.51 -0.39 0.00 -1.95 0.00 0.00 55.36 51.51 1g3g s GLN 114 Cb 0.00 -3.57 -0.18 0.00 -0.22 0.00 0.00 33.01 29.04 1g3g s GLN 114 CO 0.00 -0.90 1.31 1.17 -0.25 0.00 0.00 175.29 176.62 1g3g n LYS 115 N 4.75 0.59 -4.27 2.91 4.81 -1.26 -1.01 118.16 124.68 1g3g n LYS 115 Ca -0.08 0.22 -0.23 0.00 -0.87 0.00 0.00 58.31 57.34 1g3g n LYS 115 Cb 0.43 -1.79 -0.07 0.00 0.02 0.00 0.00 35.03 33.61 1g3g n LYS 115 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1g3g s VAL 116 N 0.91 3.59 0.24 3.15 0.11 0.15 -4.79 120.40 123.76 1g3g s VAL 116 Ca 0.91 -1.80 -0.30 0.00 -2.93 0.00 0.00 61.98 57.86 1g3g s VAL 116 Cb -1.14 -2.91 -0.09 0.00 -1.53 0.00 0.00 36.38 30.70 1g3g s VAL 116 CO 0.56 -0.35 1.24 -1.61 -3.33 0.00 0.00 175.10 171.62 1g3g s GLU 117 N -3.62 4.46 0.98 1.54 8.01 -1.26 -4.22 118.70 124.59 1g3g s GLU 117 Ca 0.31 2.00 -0.11 0.00 0.01 0.00 0.00 54.97 57.18 1g3g s GLU 117 Cb -0.07 -3.18 0.18 0.00 -4.31 0.00 0.00 34.13 26.75 1g3g s GLU 117 CO 0.20 -0.11 1.09 0.21 0.01 0.00 0.00 175.26 176.67 1g3g s LYS 118 N -0.77 0.54 -1.35 1.61 2.20 -1.26 -3.01 119.74 117.70 1g3g s LYS 118 Ca 0.52 1.16 -0.16 0.00 -0.36 0.00 0.00 55.97 57.13 1g3g s LYS 118 Cb -0.35 -1.70 0.16 0.00 -1.51 0.00 0.00 37.83 34.43 1g3g s LYS 118 CO 0.42 -2.84 0.41 0.09 -0.36 0.00 0.00 175.35 173.06 1g3g n ASN 119 N -4.34 -1.20 -4.25 1.43 3.02 0.21 -4.85 115.26 105.28 1g3g n ASN 119 Ca 0.08 -0.90 -0.37 0.00 -0.03 0.00 0.00 54.58 53.36 1g3g n ASN 119 Cb 0.53 -1.15 -0.13 0.00 -0.61 0.00 0.00 39.78 38.42 1g3g n ASN 119 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1g3g s SER 120 N -2.71 5.15 0.25 6.41 1.04 -1.16 -4.92 113.70 117.77 1g3g s SER 120 Ca 0.57 -1.13 -0.30 0.00 0.48 0.00 0.00 55.95 55.57 1g3g s SER 120 Cb -0.33 -1.82 -0.11 0.00 0.10 0.00 0.00 66.02 63.86 1g3g s SER 120 CO 0.74 -0.29 1.55 0.20 0.98 0.00 0.00 173.24 176.42 1g3g s ASN 121 N 1.37 6.50 0.04 7.02 -0.87 -1.25 -3.64 114.94 124.11 1g3g s ASN 121 Ca -0.02 2.80 0.05 0.00 -1.57 0.00 0.00 52.86 54.12 1g3g s ASN 121 Cb -0.19 -2.62 -0.02 0.00 -0.02 0.00 0.00 41.25 38.39 1g3g s ASN 121 CO 0.02 -0.83 -0.15 -1.10 -2.57 0.00 0.00 177.10 172.47 1g3g s GLN 122 N -0.09 0.97 -0.07 -0.60 -1.52 0.47 -4.81 119.66 114.00 1g3g s GLN 122 Ca 0.64 -0.77 -0.30 0.00 -1.95 0.00 0.00 55.36 52.98 1g3g s GLN 122 Cb -0.45 -0.99 -0.04 0.00 -0.22 0.00 0.00 33.01 31.31 1g3g s GLN 122 CO 0.43 0.24 1.35 -1.17 -0.25 0.00 0.00 175.29 175.89 1g3g s LEU 123 N -1.13 4.27 0.53 2.90 0.20 -1.26 0.20 118.68 124.38 1g3g s LEU 123 Ca 0.02 1.93 -0.19 0.00 0.69 0.00 0.00 54.13 56.58 1g3g s LEU 123 Cb -0.08 -3.55 -0.10 0.00 -0.43 0.00 0.00 46.19 42.04 1g3g s LEU 123 CO 0.01 -0.73 0.55 0.00 -0.29 0.00 0.00 176.35 175.89 1g3g n LEU 124 N 5.99 0.69 -4.28 -0.68 -0.00 -1.13 -4.87 117.00 112.72 1g3g n LEU 124 Ca 0.13 0.79 -0.21 0.00 -0.00 0.00 0.00 56.01 56.72 1g3g n LEU 124 Cb 0.44 -1.17 -0.12 0.00 -0.00 0.00 0.00 43.42 42.58 1g3g n LEU 124 CO 0.58 -2.94 -0.48 -0.44 -0.00 0.00 0.00 177.39 174.10 1g3g s SER 125 N -1.10 2.35 -0.27 1.45 0.01 -1.26 -5.06 113.70 109.82 1g3g s SER 125 Ca 0.67 -0.77 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 1g3g s SER 125 Cb -0.48 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 65.62 1g3g s SER 125 CO 0.55 -0.04 1.57 -1.10 0.41 0.00 0.00 173.24 174.63 1g3g s GLN 126 N -2.41 3.71 -1.10 12.44 -1.52 -1.26 -2.31 119.66 127.21 1g3g s GLN 126 Ca 0.09 1.47 0.00 0.00 -1.95 0.00 0.00 55.36 54.98 1g3g s GLN 126 Cb -0.07 -4.04 0.00 0.00 -0.22 0.00 0.00 33.01 28.68 1g3g s GLN 126 CO 0.05 -1.39 0.00 0.41 -0.25 0.00 0.00 175.29 174.10 1g3g n GLY 127 N 4.79 0.14 3.46 3.09 0.00 -1.22 -4.97 105.19 110.48 1g3g n GLY 127 Ca 0.19 -0.39 -0.33 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 -0.28 -1.63 -3.76 1.61 2.03 -0.98 -4.57 116.55 108.98 1g3g n ASP 128 Ca -0.14 0.34 -0.12 0.00 0.52 0.00 0.00 54.79 55.39 1g3g n ASP 128 Cb 0.57 -1.26 -0.12 0.00 -0.72 0.00 0.00 41.12 39.59 1g3g n ASP 128 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1g3g s GLU 129 N -3.83 0.24 -0.13 -0.67 2.12 -1.26 1.00 118.70 116.18 1g3g s GLU 129 Ca 0.59 0.44 0.02 0.00 0.36 0.00 0.00 54.97 56.37 1g3g s GLU 129 Cb -0.21 0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.18 1g3g s GLU 129 CO 0.66 -0.10 -0.19 0.42 -0.54 0.00 0.00 175.26 175.51 1g3g s ILE 130 N 0.71 2.47 -0.01 -3.70 -1.09 0.40 -1.16 121.20 118.82 1g3g s ILE 130 Ca -0.05 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.50 1g3g s ILE 130 Cb -0.06 -2.00 -0.04 0.00 -1.58 0.00 0.00 42.46 38.78 1g3g s ILE 130 CO -0.04 0.54 0.10 -0.89 -1.23 0.00 0.00 174.94 173.42 1g3g s THR 131 N 0.51 4.87 0.05 2.92 2.01 0.42 0.89 115.64 127.31 1g3g s THR 131 Ca -0.12 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 1g3g s THR 131 Cb -0.17 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1g3g s THR 131 CO 0.05 0.35 -0.00 0.68 -0.69 0.00 0.00 174.62 175.01 1g3g s VAL 132 N -1.22 0.19 -0.62 3.82 -7.23 0.32 0.17 120.40 115.83 1g3g s VAL 132 Ca 0.24 -1.55 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1g3g s VAL 132 Cb -0.12 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1g3g s VAL 132 CO 0.15 -0.86 0.54 0.61 -0.31 0.00 0.00 175.10 175.23 1g3g n GLY 133 N 0.39 0.24 3.83 2.32 0.00 -1.26 -1.09 105.19 109.62 1g3g n GLY 133 Ca -0.16 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.15 4.19 0.00 1.61 1.01 -1.26 -3.95 120.40 118.85 1g3g s VAL 134 Ca 0.25 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1g3g s VAL 134 Cb -0.11 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1g3g s VAL 134 CO 0.34 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1g3g n GLY 135 N -1.73 2.66 3.11 4.51 0.00 -1.26 -5.02 105.19 107.46 1g3g n GLY 135 Ca 0.07 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.02 120.40 118.52 1g3g s VAL 136 Ca 0.00 -0.66 0.20 0.00 0.00 0.00 0.00 61.98 61.53 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 1.83 -0.08 0.00 0.00 0.00 175.10 177.25 1g3g h GLU 137 N 6.40 0.33 -0.33 2.72 4.57 -1.99 0.57 114.58 126.86 1g3g h GLU 137 Ca -0.32 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1g3g h GLU 137 Cb 1.18 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1g3g h GLU 137 CO 0.48 0.22 0.00 0.45 -1.18 0.00 0.00 179.01 178.97 1g3g n SER 138 N -4.50 2.50 -0.81 1.04 2.88 -1.26 -4.10 113.62 109.37 1g3g n SER 138 Ca 0.21 -1.88 0.06 0.00 -1.33 0.00 0.00 58.87 55.92 1g3g n SER 138 Cb 0.81 -0.21 0.15 0.00 -0.75 0.00 0.00 64.21 64.20 1g3g n SER 138 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1g3g n ASP 139 N 0.86 1.52 -4.68 -3.46 2.03 0.20 -5.04 116.55 107.97 1g3g n ASP 139 Ca 0.17 -3.32 -0.34 0.00 0.52 0.00 0.00 54.79 51.82 1g3g n ASP 139 Cb 0.44 -0.46 -0.09 0.00 -0.72 0.00 0.00 41.12 40.29 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 -2.29 4.27 -0.05 5.18 1.01 -1.10 -4.39 121.20 123.83 1g3g s ILE 140 Ca 0.36 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1g3g s ILE 140 Cb 0.36 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 1g3g s ILE 140 CO -0.09 0.54 -0.20 -0.76 0.00 0.00 0.00 174.94 174.42 1g3g s LEU 141 N -1.09 1.98 0.17 2.97 1.43 -0.25 -5.00 118.68 118.88 1g3g s LEU 141 Ca 0.15 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1g3g s LEU 141 Cb -0.11 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 1g3g s LEU 141 CO 0.05 0.18 -0.12 -0.44 0.23 0.00 0.00 176.35 176.26 1g3g s SER 142 N 0.00 4.16 -0.02 2.29 0.01 -1.26 0.12 113.70 119.00 1g3g s SER 142 Ca -0.05 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.65 1g3g s SER 142 Cb -0.13 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.43 1g3g s SER 142 CO 0.03 0.12 -0.07 -0.22 0.41 0.00 0.00 173.24 173.51 1g3g s LEU 143 N -2.68 1.82 -0.03 2.44 1.98 0.26 -3.88 118.68 118.59 1g3g s LEU 143 Ca 0.23 -0.15 0.07 0.00 -2.89 0.00 0.00 54.13 51.40 1g3g s LEU 143 Cb -0.09 -0.44 -0.02 0.00 0.66 0.00 0.00 46.19 46.30 1g3g s LEU 143 CO 0.14 0.05 -0.22 -0.69 -1.89 0.00 0.00 176.35 173.74 1g3g s VAL 144 N 0.14 2.39 -0.07 1.68 1.01 -0.63 0.15 120.40 125.07 1g3g s VAL 144 Ca -0.02 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1g3g s VAL 144 Cb -0.07 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1g3g s VAL 144 CO 0.00 0.57 -0.02 -0.51 0.00 0.00 0.00 175.10 175.14 1g3g s ILE 145 N -0.66 4.12 -0.17 2.22 2.07 0.28 0.17 121.20 129.24 1g3g s ILE 145 Ca 0.11 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 59.02 1g3g s ILE 145 Cb -0.10 -2.73 0.01 0.00 0.13 0.00 0.00 42.46 39.77 1g3g s ILE 145 CO -0.00 0.59 -0.18 0.12 -1.91 0.00 0.00 174.94 173.56 1g3g s PHE 146 N -0.88 2.76 -0.12 3.50 5.36 0.35 -3.03 117.98 125.92 1g3g s PHE 146 Ca 0.13 -1.35 0.01 0.00 -0.96 0.00 0.00 56.93 54.77 1g3g s PHE 146 Cb -0.11 -1.90 -0.01 0.00 -0.34 0.00 0.00 43.02 40.66 1g3g s PHE 146 CO 0.03 -0.64 -0.15 0.42 -1.46 0.00 0.00 175.22 173.41 1g3g s ILE 147 N 1.04 2.84 0.23 3.12 1.09 -1.26 0.12 121.20 128.39 1g3g s ILE 147 Ca -0.01 -0.74 -0.30 0.00 -1.10 0.00 0.00 60.65 58.50 1g3g s ILE 147 Cb -0.14 -2.17 -0.09 0.00 -1.06 0.00 0.00 42.46 39.00 1g3g s ILE 147 CO -0.06 0.53 1.09 0.54 -0.10 0.00 0.00 174.94 176.95 1g3g s ASN 148 N 0.32 7.29 0.24 3.58 4.22 -1.26 -4.92 114.94 124.43 1g3g s ASN 148 Ca -0.12 2.16 0.09 0.00 -2.14 0.00 0.00 52.86 52.85 1g3g s ASN 148 Cb -0.16 -2.61 0.25 0.00 1.28 0.00 0.00 41.25 40.00 1g3g s ASN 148 CO 0.06 -0.16 1.55 0.44 -2.04 0.00 0.00 177.10 176.96 1g3g h ASP 149 N 4.46 0.02 -0.99 3.54 3.32 -1.96 -3.16 116.42 121.65 1g3g h ASP 149 Ca -0.45 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 56.64 1g3g h ASP 149 Cb 1.21 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.69 1g3g h ASP 149 CO 0.70 0.70 0.64 0.11 -1.72 0.00 0.00 179.24 179.67 1g3g h LYS 150 N 0.01 1.14 -0.68 3.56 1.79 -1.92 -1.39 116.57 119.09 1g3g h LYS 150 Ca -0.01 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.34 1g3g h LYS 150 Cb 1.21 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 31.58 1g3g h LYS 150 CO 0.09 0.76 0.21 0.35 -1.08 0.00 0.00 179.45 179.78 1g3g h PHE 151 N 1.18 1.07 -0.39 -1.35 3.04 -1.86 -2.59 116.94 116.03 1g3g h PHE 151 Ca 0.43 -0.10 -0.04 0.00 3.98 0.00 0.00 57.97 62.24 1g3g h PHE 151 Cb 0.15 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.33 1g3g h PHE 151 CO -0.00 0.85 0.08 -0.22 -2.02 0.00 0.00 178.31 177.00 1g3g h LYS 152 N 1.00 0.64 -0.72 1.11 3.64 -1.35 -2.65 116.57 118.23 1g3g h LYS 152 Ca 0.22 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1g3g h LYS 152 Cb 0.28 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1g3g h LYS 152 CO -0.01 0.68 0.48 0.37 -2.27 0.00 0.00 179.45 178.70 1g3g h GLN 153 N 0.50 0.86 -0.45 1.90 4.15 -1.13 -1.00 115.11 119.94 1g3g h GLN 153 Ca 0.12 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 1g3g h GLN 153 Cb 0.34 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1g3g h GLN 153 CO 0.00 0.57 0.09 0.00 -1.93 0.00 0.00 178.83 177.56 1g3g h LEU 155 N 0.61 0.60 -0.92 0.00 7.12 -1.05 0.48 115.31 122.15 1g3g h LEU 155 Ca 0.14 -0.18 0.07 0.00 0.13 0.00 0.00 57.88 58.04 1g3g h LEU 155 Cb 0.36 -0.16 -0.07 0.00 -0.53 0.00 0.00 40.66 40.26 1g3g h LEU 155 CO 0.01 0.77 0.58 -0.08 -0.13 0.00 0.00 178.44 179.58 1g3g h GLU 156 N 0.56 1.00 0.06 1.25 4.81 -0.96 -2.74 114.58 118.55 1g3g h GLU 156 Ca 0.10 -0.06 -0.32 0.00 -0.13 0.00 0.00 59.36 58.95 1g3g h GLU 156 Cb 0.57 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1g3g h GLU 156 CO 0.04 0.66 -1.77 0.37 -0.73 0.00 0.00 179.01 177.57 1g3g h GLN 157 N 1.03 0.12 0.00 1.92 4.15 -1.33 -3.50 115.11 117.49 1g3g h GLN 157 Ca 0.41 -0.20 0.01 0.00 0.77 0.00 0.00 58.65 59.64 1g3g h GLN 157 Cb 0.21 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 1g3g h GLN 157 CO -0.19 0.82 -0.02 0.27 -1.93 0.00 0.00 178.83 177.79 1g3g n ASN 158 N -3.25 -1.48 -4.80 -0.69 0.23 0.16 -4.66 115.26 100.77 1g3g n ASN 158 Ca -0.22 0.06 -0.39 0.00 -0.53 0.00 0.00 54.58 53.50 1g3g n ASN 158 Cb 1.05 -0.22 -0.06 0.00 -2.08 0.00 0.00 39.78 38.47 1g3g n ASN 158 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1g3g s LYS 159 N -0.20 4.27 0.05 -3.83 -2.85 -1.26 -5.01 119.74 110.90 1g3g s LYS 159 Ca 0.00 0.82 -0.31 0.00 -1.00 0.00 0.00 55.97 55.49 1g3g s LYS 159 Cb 0.00 -3.22 -0.07 0.00 -2.06 0.00 0.00 37.83 32.48 1g3g s LYS 159 CO 0.00 0.61 1.54 0.14 0.10 0.00 0.00 175.35 177.74 1g3g s VAL 160 N -1.14 3.31 0.19 1.79 -7.23 -1.26 -5.01 120.40 111.05 1g3g s VAL 160 Ca 0.31 0.75 0.01 0.00 -1.81 0.00 0.00 61.98 61.24 1g3g s VAL 160 Cb -0.20 -3.48 0.01 0.00 0.56 0.00 0.00 36.38 33.27 1g3g s VAL 160 CO 0.21 0.00 0.08 -0.90 -0.31 0.00 0.00 175.10 174.18 1g3g n ASP 161 N 5.38 2.00 0.24 4.85 5.68 -1.26 -5.00 116.55 128.44 1g3g n ASP 161 Ca 0.14 -1.73 0.14 0.00 -0.50 0.00 0.00 54.79 52.85 1g3g n ASP 161 Cb 0.42 0.05 0.81 0.00 -1.14 0.00 0.00 41.12 41.25 1g3g n ASP 161 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1g3g h ARG 162 N 0.00 0.00 -6.54 0.11 2.47 -2.08 -3.40 114.38 104.94 1g3g h ARG 162 Ca -0.14 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.06 1g3g h ARG 162 Cb 0.46 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 1g3g h ARG 162 CO 0.22 0.00 0.46 0.42 0.56 0.00 0.00 179.97 181.63 1g3g s ILE 163 N -4.77 4.24 -2.00 2.04 1.01 -1.26 -5.36 121.20 115.11 1g3g s ILE 163 Ca -0.05 1.74 0.16 0.00 0.00 0.00 0.00 60.65 62.50 1g3g s ILE 163 Cb 0.16 -4.11 0.45 0.00 0.01 0.00 0.00 42.46 38.96 1g3g s ILE 163 CO 0.59 0.21 1.35 -1.14 0.00 0.00 0.00 174.94 175.95