#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gcg s VAL 48 N 0.00 1.44 -0.01 1.97 1.01 -1.26 -5.14 120.40 118.41 3gcg s VAL 48 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 3gcg s VAL 48 Cb 0.00 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.16 3gcg s VAL 48 CO 0.00 0.32 0.15 -0.51 0.00 0.00 0.00 175.10 175.06 3gcg s ILE 49 N -0.55 0.06 -0.96 2.22 2.07 -1.26 -5.08 121.20 117.70 3gcg s ILE 49 Ca 0.07 -0.53 -0.20 0.00 -1.41 0.00 0.00 60.65 58.58 3gcg s ILE 49 Cb -0.07 -0.39 0.11 0.00 0.13 0.00 0.00 42.46 42.23 3gcg s ILE 49 CO 0.00 -0.29 1.23 0.21 -1.91 0.00 0.00 174.94 174.18 3gcg s ASN 50 N -1.04 6.61 0.50 4.50 3.84 -1.26 -4.86 114.94 123.23 3gcg s ASN 50 Ca -0.11 -1.91 0.26 0.00 0.21 0.00 0.00 52.86 51.30 3gcg s ASN 50 Cb -0.06 -2.45 1.34 0.00 -0.55 0.00 0.00 41.25 39.53 3gcg s ASN 50 CO 0.01 -1.18 1.91 0.45 -2.79 0.00 0.00 177.10 175.51 3gcg h HIS 51 N 9.05 0.16 -0.46 0.43 3.86 -1.99 -0.22 115.15 125.98 3gcg h HIS 51 Ca 0.17 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.34 3gcg h HIS 51 Cb 1.02 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.42 3gcg h HIS 51 CO 1.20 0.05 0.08 0.78 0.86 0.00 0.00 177.93 180.89 3gcg h GLY 52 N 0.12 0.82 1.28 2.45 0.00 -1.99 -0.49 103.07 105.26 3gcg h GLY 52 Ca 0.39 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 3gcg h GLY 52 CO -0.05 0.50 -0.16 0.50 0.00 0.00 0.00 176.54 177.33 3gcg h LYS 53 N 0.63 0.84 -0.03 4.80 1.57 -1.48 -2.05 116.57 120.84 3gcg h LYS 53 Ca 0.14 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3gcg h LYS 53 Cb 0.38 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3gcg h LYS 53 CO 0.01 0.94 0.02 -0.07 -0.57 0.00 0.00 179.45 179.78 3gcg h LEU 54 N 0.74 0.04 -0.86 2.94 3.38 -1.17 -1.52 115.31 118.86 3gcg h LEU 54 Ca 0.11 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.12 3gcg h LEU 54 Cb 0.67 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 3gcg h LEU 54 CO 0.05 0.07 0.52 0.74 0.09 0.00 0.00 178.44 179.91 3gcg h THR 55 N 0.01 0.98 -0.37 0.22 2.02 -0.93 0.34 112.91 115.18 3gcg h THR 55 Ca 0.01 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 3gcg h THR 55 Cb 0.04 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 3gcg h THR 55 CO -0.00 0.17 -0.02 0.78 0.37 0.00 0.00 175.52 176.82 3gcg h ASN 56 N 0.91 0.57 0.56 4.18 4.21 -1.05 0.29 115.58 125.24 3gcg h ASN 56 Ca 0.40 -0.12 -0.18 0.00 1.21 0.00 0.00 56.30 57.61 3gcg h ASN 56 Cb 0.27 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 3gcg h ASN 56 CO -0.21 0.65 -0.79 1.56 -1.29 0.00 0.00 177.43 177.35 3gcg h GLN 57 N 0.57 0.18 -0.16 0.81 4.20 -0.03 -1.03 115.11 119.65 3gcg h GLN 57 Ca 0.12 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 3gcg h GLN 57 Cb 0.39 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 3gcg h GLN 57 CO 0.02 0.88 -0.20 1.25 -0.67 0.00 0.00 178.83 180.10 3gcg h LEU 58 N 0.11 0.45 -0.86 1.46 6.46 0.21 -2.45 115.31 120.68 3gcg h LEU 58 Ca -0.03 -0.50 -0.02 0.00 -0.12 0.00 0.00 57.88 57.20 3gcg h LEU 58 Cb 1.38 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 41.14 3gcg h LEU 58 CO 0.12 0.86 0.45 -0.07 -0.62 0.00 0.00 178.44 179.18 3gcg h LEU 59 N 0.05 1.10 -0.55 2.25 3.38 -0.41 -1.68 115.31 119.46 3gcg h LEU 59 Ca 0.02 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3gcg h LEU 59 Cb 0.75 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3gcg h LEU 59 CO 0.05 0.91 0.34 1.56 0.09 0.00 0.00 178.44 181.39 3gcg h GLN 60 N 1.21 0.67 -0.95 1.13 4.20 -1.14 -1.03 115.11 119.21 3gcg h GLN 60 Ca 0.30 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 3gcg h GLN 60 Cb 0.07 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.65 3gcg h GLN 60 CO -0.04 0.44 0.58 0.00 -0.67 0.00 0.00 178.83 179.14 3gcg h ALA 61 N 1.22 1.21 -0.58 3.87 0.00 -0.93 -2.27 119.26 121.78 3gcg h ALA 61 Ca 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3gcg h ALA 61 Cb -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3gcg h ALA 61 CO -0.07 0.65 0.32 0.28 0.00 0.00 0.00 179.25 180.43 3gcg h VAL 62 N 1.31 1.19 -0.10 0.00 2.07 -0.60 -2.81 116.25 117.30 3gcg h VAL 62 Ca 0.34 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3gcg h VAL 62 Cb -0.07 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3gcg h VAL 62 CO -0.07 0.20 0.12 0.00 0.02 0.00 0.00 177.57 177.85 3gcg h ALA 63 N 1.14 1.65 0.00 1.67 0.00 -0.61 -1.81 119.26 121.30 3gcg h ALA 63 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gcg h ALA 63 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gcg h ALA 63 CO -0.03 -0.17 0.00 0.87 0.00 0.00 0.00 179.25 179.91 3gcg h LYS 64 N 0.00 0.00 -0.48 0.00 1.57 -1.38 -3.19 116.57 113.08 3gcg h LYS 64 Ca 0.05 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3gcg h LYS 64 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3gcg h LYS 64 CO -0.00 0.00 0.16 1.96 -0.57 0.00 0.00 179.45 181.00 3gcg h GLN 65 N 0.00 0.74 0.00 3.15 4.20 -1.47 -3.45 115.11 118.28 3gcg h GLN 65 Ca 0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3gcg h GLN 65 Cb 0.48 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3gcg h GLN 65 CO 0.00 0.69 0.00 0.25 -0.67 0.00 0.00 178.83 179.10 3gcg n THR 66 N -4.53 0.00 0.00 -0.54 -2.24 -1.20 -5.09 114.28 100.68 3gcg n THR 66 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3gcg n THR 66 Cb 0.18 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 3gcg n THR 66 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3gcg n ARG 67 N 0.00 0.00 0.00 -0.78 1.85 -1.26 -4.79 116.66 111.68 3gcg n ARG 67 Ca 0.00 0.00 0.15 0.00 -1.00 0.00 0.00 57.85 57.00 3gcg n ARG 67 Cb 0.00 -0.27 0.90 0.00 -1.05 0.00 0.00 32.46 32.04 3gcg n ARG 67 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3gcg n ASN 68 N -0.90 0.00 -1.68 2.89 6.94 -1.26 -4.87 115.26 116.39 3gcg n ASN 68 Ca 0.00 -1.03 -0.15 0.00 -0.02 0.00 0.00 54.58 53.39 3gcg n ASN 68 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 3gcg n ASN 68 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gcg n GLY 69 N 0.96 -0.20 3.72 4.83 0.00 -1.26 -4.95 105.19 108.29 3gcg n GLY 69 Ca 0.23 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3gcg n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gcg n ASP 70 N -0.82 2.52 0.00 1.61 -0.08 -1.26 -4.66 116.55 113.86 3gcg n ASP 70 Ca -0.18 1.00 0.00 0.00 -1.51 0.00 0.00 54.79 54.10 3gcg n ASP 70 Cb 0.63 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.55 3gcg n ASP 70 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3gcg n THR 71 N -0.87 0.01 0.09 5.18 -2.24 -1.26 -4.41 114.28 110.78 3gcg n THR 71 Ca 0.10 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 3gcg n THR 71 Cb 0.44 1.77 -0.08 0.00 -2.10 0.00 0.00 70.33 70.35 3gcg n THR 71 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3gcg h GLN 72 N 0.00 -0.19 -0.24 -0.78 4.20 -1.99 -0.11 115.11 116.00 3gcg h GLN 72 Ca 0.00 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3gcg h GLN 72 Cb 0.47 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3gcg h GLN 72 CO 0.00 0.03 0.15 1.96 -0.67 0.00 0.00 178.83 180.29 3gcg h GLN 73 N -0.38 0.33 -0.54 1.46 1.08 -2.00 -1.21 115.11 113.85 3gcg h GLN 73 Ca -0.02 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.22 3gcg h GLN 73 Cb 0.30 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.60 3gcg h GLN 73 CO 0.03 0.26 0.21 2.35 -0.95 0.00 0.00 178.83 180.73 3gcg h TRP 74 N 0.30 0.37 -0.31 2.96 7.01 -1.88 -1.21 115.95 123.19 3gcg h TRP 74 Ca 0.09 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.15 3gcg h TRP 74 Cb 0.01 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 3gcg h TRP 74 CO -0.05 0.12 0.12 0.35 -2.79 0.00 0.00 178.44 176.19 3gcg h PHE 75 N 0.40 0.21 -0.06 2.65 3.57 -0.49 -0.24 116.94 122.99 3gcg h PHE 75 Ca 0.26 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.79 3gcg h PHE 75 Cb 0.28 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3gcg h PHE 75 CO -0.16 0.10 -0.01 1.96 -2.23 0.00 0.00 178.31 177.97 3gcg h GLN 76 N 0.26 0.01 -0.25 1.11 4.20 -0.68 -1.06 115.11 118.69 3gcg h GLN 76 Ca 0.14 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 3gcg h GLN 76 Cb 0.10 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3gcg h GLN 76 CO -0.13 0.00 0.11 1.96 -0.67 0.00 0.00 178.83 180.10 3gcg h GLN 77 N 0.01 0.37 -0.51 1.46 4.20 -1.02 -2.71 115.11 116.92 3gcg h GLN 77 Ca 0.03 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3gcg h GLN 77 Cb 0.04 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3gcg h GLN 77 CO -0.05 0.39 0.21 1.49 -0.67 0.00 0.00 178.83 180.20 3gcg h GLU 78 N 0.27 0.75 -0.07 1.46 4.57 -0.99 -1.12 114.58 119.45 3gcg h GLU 78 Ca 0.09 -0.13 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3gcg h GLU 78 Cb 0.15 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3gcg h GLU 78 CO -0.01 0.66 -0.15 0.37 -1.18 0.00 0.00 179.01 178.71 3gcg h GLN 79 N 0.68 -0.20 0.00 1.92 4.15 -1.10 0.66 115.11 121.21 3gcg h GLN 79 Ca 0.17 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.52 3gcg h GLN 79 Cb 0.19 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3gcg h GLN 79 CO -0.01 -0.14 -0.39 1.79 -1.93 0.00 0.00 178.83 178.15 3gcg h THR 80 N -0.21 1.09 -0.00 2.39 1.35 -1.43 -2.17 112.91 113.93 3gcg h THR 80 Ca 0.07 -1.45 -0.00 0.00 -0.55 0.00 0.00 66.41 64.49 3gcg h THR 80 Cb 0.32 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3gcg h THR 80 CO -0.20 0.39 -0.01 0.74 -0.25 0.00 0.00 175.52 176.19 3gcg h THR 81 N 0.00 1.56 -0.69 6.82 2.02 -0.44 -1.83 112.91 120.35 3gcg h THR 81 Ca -0.00 -1.66 -0.02 0.00 0.77 0.00 0.00 66.41 65.50 3gcg h THR 81 Cb 0.79 2.68 -0.03 0.00 -1.74 0.00 0.00 68.15 69.85 3gcg h THR 81 CO 0.05 0.43 0.36 0.22 0.37 0.00 0.00 175.52 176.96 3gcg h TYR 82 N -0.69 0.96 -0.46 3.16 3.20 0.31 -0.27 116.97 123.19 3gcg h TYR 82 Ca -0.00 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.73 3gcg h TYR 82 Cb 0.71 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3gcg h TYR 82 CO 0.17 0.70 -0.13 0.82 -1.64 0.00 0.00 178.16 178.07 3gcg h ILE 83 N 0.95 1.27 -0.60 1.81 2.04 -1.49 -1.15 117.51 120.34 3gcg h ILE 83 Ca 0.24 -1.26 -0.07 0.00 1.00 0.00 0.00 64.86 64.77 3gcg h ILE 83 Cb 0.07 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3gcg h ILE 83 CO -0.04 0.43 0.10 0.28 0.00 0.00 0.00 178.15 178.92 3gcg h SER 84 N 0.73 0.93 -0.14 1.72 0.02 -1.06 -0.45 113.55 115.31 3gcg h SER 84 Ca 0.11 -0.21 -0.15 0.00 -0.84 0.00 0.00 61.79 60.70 3gcg h SER 84 Cb 0.69 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3gcg h SER 84 CO 0.05 0.94 -0.46 0.08 -1.14 0.00 0.00 176.83 176.30 3gcg h ARG 85 N 0.92 0.70 -0.88 3.45 -0.00 -0.94 0.93 114.38 118.56 3gcg h ARG 85 Ca 0.19 -0.39 0.01 0.00 -0.00 0.00 0.00 59.98 59.79 3gcg h ARG 85 Cb 0.41 0.03 -0.05 0.00 -0.00 0.00 0.00 29.97 30.36 3gcg h ARG 85 CO 0.01 1.01 0.58 1.15 -0.00 0.00 0.00 179.97 182.72 3gcg h THR 86 N 0.56 1.21 -0.09 0.08 2.02 -0.75 0.29 112.91 116.23 3gcg h THR 86 Ca 0.03 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 3gcg h THR 86 Cb 1.01 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3gcg h THR 86 CO 0.10 0.21 -0.00 0.58 0.37 0.00 0.00 175.52 176.78 3gcg h VAL 87 N 1.18 1.26 -0.32 3.16 2.07 -0.71 -2.01 116.25 120.87 3gcg h VAL 87 Ca 0.33 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3gcg h VAL 87 Cb -0.11 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3gcg h VAL 87 CO -0.08 0.23 0.13 0.78 0.02 0.00 0.00 177.57 178.65 3gcg h ASN 88 N -0.12 0.40 -0.60 0.57 2.35 -0.32 -1.41 115.58 116.45 3gcg h ASN 88 Ca 0.03 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3gcg h ASN 88 Cb 0.36 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3gcg h ASN 88 CO 0.01 0.37 0.05 -0.09 -1.65 0.00 0.00 177.43 176.11 3gcg h ARG 89 N 0.45 1.02 -0.40 0.81 2.43 -0.29 -0.03 114.38 118.38 3gcg h ARG 89 Ca 0.11 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 58.87 3gcg h ARG 89 Cb 0.09 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3gcg h ARG 89 CO -0.01 0.99 -0.20 1.15 -1.51 0.00 0.00 179.97 180.38 3gcg h THR 90 N 0.92 1.27 -0.46 0.20 2.02 -0.62 -1.34 112.91 114.91 3gcg h THR 90 Ca 0.18 -1.30 -0.09 0.00 0.77 0.00 0.00 66.41 65.97 3gcg h THR 90 Cb 0.49 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3gcg h THR 90 CO 0.02 0.44 -0.05 -0.07 0.37 0.00 0.00 175.52 176.23 3gcg h LEU 91 N 0.68 0.84 -0.38 2.58 3.38 -0.95 -1.40 115.31 120.06 3gcg h LEU 91 Ca 0.10 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3gcg h LEU 91 Cb 0.70 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3gcg h LEU 91 CO 0.05 0.97 0.23 0.44 0.09 0.00 0.00 178.44 180.23 3gcg h ASP 92 N 0.69 0.39 -0.61 -0.43 3.32 -0.74 -0.49 116.42 118.55 3gcg h ASP 92 Ca 0.12 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3gcg h ASP 92 Cb 0.57 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 3gcg h ASP 92 CO 0.03 0.28 0.25 0.44 -1.72 0.00 0.00 179.24 178.53 3gcg h ASP 93 N 0.48 0.86 -0.03 6.45 3.32 -1.11 -0.65 116.42 125.73 3gcg h ASP 93 Ca 0.15 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gcg h ASP 93 Cb -0.02 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 3gcg h ASP 93 CO -0.06 0.77 0.00 0.22 -1.72 0.00 0.00 179.24 178.46 3gcg h TYR 94 N 0.92 0.05 -0.42 4.55 3.20 -0.74 -2.89 116.97 121.64 3gcg h TYR 94 Ca 0.22 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 3gcg h TYR 94 Cb 0.18 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3gcg h TYR 94 CO 0.01 0.32 -0.04 0.00 -1.64 0.00 0.00 178.16 176.82 3gcg h ARG 96 N 0.65 -1.01 0.00 0.00 2.43 -1.10 0.66 114.38 116.01 3gcg h ARG 96 Ca 0.13 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3gcg h ARG 96 Cb 0.46 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3gcg h ARG 96 CO 0.02 -0.68 -0.06 0.66 -1.51 0.00 0.00 179.97 178.41 3gcg h SER 97 N -1.05 0.00 0.09 -3.80 4.64 -1.56 -2.84 113.55 109.03 3gcg h SER 97 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3gcg h SER 97 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3gcg h SER 97 CO 0.15 0.06 -1.10 0.59 -0.87 0.00 0.00 176.83 175.66 3gcg n ASN 98 N -4.35 0.77 -1.03 4.97 3.02 -0.99 -4.95 115.26 112.71 3gcg n ASN 98 Ca -0.03 -0.70 -0.13 0.00 -0.03 0.00 0.00 54.58 53.69 3gcg n ASN 98 Cb 0.14 1.05 -0.06 0.00 -0.61 0.00 0.00 39.78 40.30 3gcg n ASN 98 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gcg n ASN 99 N -1.66 -5.01 -4.86 6.41 3.02 0.23 -4.96 115.26 108.43 3gcg n ASN 99 Ca 0.03 0.33 -0.30 0.00 -0.03 0.00 0.00 54.58 54.61 3gcg n ASN 99 Cb 0.38 -3.69 0.05 0.00 -0.61 0.00 0.00 39.78 35.91 3gcg n ASN 99 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3gcg s SER 100 N -2.69 5.26 -0.16 6.41 0.01 -1.01 -5.02 113.70 116.50 3gcg s SER 100 Ca 0.00 1.24 -0.02 0.00 1.31 0.00 0.00 55.95 58.48 3gcg s SER 100 Cb 0.00 -2.05 0.05 0.00 0.21 0.00 0.00 66.02 64.23 3gcg s SER 100 CO 0.00 -1.47 0.02 -0.69 0.41 0.00 0.00 173.24 171.51 3gcg s VAL 101 N -3.26 0.52 -0.23 3.43 1.01 -1.26 -4.76 120.40 115.84 3gcg s VAL 101 Ca 0.59 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 3gcg s VAL 101 Cb -0.12 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 3gcg s VAL 101 CO 0.53 -0.08 0.16 -0.51 0.00 0.00 0.00 175.10 175.20 3gcg s ILE 102 N 1.87 5.37 0.64 2.22 2.07 -1.26 -5.07 121.20 127.04 3gcg s ILE 102 Ca 0.01 0.19 -0.17 0.00 -1.41 0.00 0.00 60.65 59.26 3gcg s ILE 102 Cb -0.16 -3.50 -0.01 0.00 0.13 0.00 0.00 42.46 38.92 3gcg s ILE 102 CO -0.07 0.37 1.21 -0.94 -1.91 0.00 0.00 174.94 173.59 3gcg s SER 103 N 0.88 4.88 0.63 4.50 1.04 -1.26 -4.75 113.70 119.61 3gcg s SER 103 Ca 0.08 2.38 0.37 0.00 0.48 0.00 0.00 55.95 59.25 3gcg s SER 103 Cb -0.13 -2.59 2.10 0.00 0.10 0.00 0.00 66.02 65.49 3gcg s SER 103 CO 0.03 -1.80 2.30 0.11 0.98 0.00 0.00 173.24 174.85 3gcg h LYS 104 N 0.50 0.00 0.55 4.02 1.79 -1.98 0.14 116.57 121.59 3gcg h LYS 104 Ca -0.50 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 57.95 3gcg h LYS 104 Cb 1.30 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.95 3gcg h LYS 104 CO 0.53 0.00 -0.26 1.49 -1.08 0.00 0.00 179.45 180.13 3gcg h GLU 105 N 0.00 -0.71 -0.92 3.15 4.81 -2.00 -1.46 114.58 117.45 3gcg h GLU 105 Ca 0.00 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.38 3gcg h GLU 105 Cb 0.04 0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 3gcg h GLU 105 CO -0.00 -0.41 0.59 1.15 -0.73 0.00 0.00 179.01 179.61 3gcg h THR 106 N -1.08 0.96 -0.83 0.32 2.02 -1.61 0.11 112.91 112.80 3gcg h THR 106 Ca -0.08 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.82 3gcg h THR 106 Cb 0.63 -0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 3gcg h THR 106 CO 0.12 0.17 0.53 0.50 0.37 0.00 0.00 175.52 177.21 3gcg h LYS 107 N 0.92 1.00 -0.64 6.66 3.64 -0.66 -1.07 116.57 126.42 3gcg h LYS 107 Ca 0.43 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.71 3gcg h LYS 107 Cb 0.42 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3gcg h LYS 107 CO -0.20 0.66 0.22 0.78 -2.27 0.00 0.00 179.45 178.65 3gcg h GLY 108 N 1.03 1.05 1.19 5.01 0.00 0.29 -0.38 103.07 111.26 3gcg h GLY 108 Ca 0.33 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3gcg h GLY 108 CO -0.12 0.57 0.36 0.45 0.00 0.00 0.00 176.54 177.80 3gcg h HIS 109 N 0.91 1.05 -0.48 5.60 3.86 -0.63 -0.06 115.15 125.39 3gcg h HIS 109 Ca 0.21 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 3gcg h HIS 109 Cb 0.26 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 3gcg h HIS 109 CO 0.02 0.76 0.06 0.82 0.86 0.00 0.00 177.93 180.44 3gcg h ILE 110 N 1.05 1.25 -0.65 2.45 2.04 -0.73 -0.61 117.51 122.31 3gcg h ILE 110 Ca 0.26 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 65.09 3gcg h ILE 110 Cb 0.10 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3gcg h ILE 110 CO -0.03 0.34 0.11 -0.26 0.00 0.00 0.00 178.15 178.30 3gcg h PHE 111 N 0.67 1.13 -0.37 1.37 -1.00 -0.48 -0.64 116.94 117.63 3gcg h PHE 111 Ca 0.14 -0.15 -0.13 0.00 2.81 0.00 0.00 57.97 60.64 3gcg h PHE 111 Cb 0.42 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 3gcg h PHE 111 CO 0.03 0.95 -0.31 -0.09 -1.61 0.00 0.00 178.31 177.28 3gcg h ARG 112 N 1.00 0.80 -0.30 1.51 1.12 -0.88 0.19 114.38 117.84 3gcg h ARG 112 Ca 0.20 -0.37 -0.01 0.00 -1.11 0.00 0.00 59.98 58.69 3gcg h ARG 112 Cb 0.42 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.36 3gcg h ARG 112 CO 0.01 1.00 0.16 0.00 -3.11 0.00 0.00 179.97 178.04 3gcg h ALA 113 N 0.97 0.38 -0.12 2.80 0.00 -0.79 0.45 119.26 122.95 3gcg h ALA 113 Ca 0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3gcg h ALA 113 Cb 0.85 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3gcg h ALA 113 CO 0.07 -0.09 -0.32 0.28 0.00 0.00 0.00 179.25 179.19 3gcg h VAL 114 N 0.36 1.27 -0.25 0.00 2.07 -0.98 -1.35 116.25 117.38 3gcg h VAL 114 Ca 0.10 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 3gcg h VAL 114 Cb 0.06 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3gcg h VAL 114 CO -0.02 0.39 0.09 -0.08 0.02 0.00 0.00 177.57 177.97 3gcg h GLU 115 N 0.21 0.38 -0.23 1.57 4.81 0.37 -1.37 114.58 120.32 3gcg h GLU 115 Ca 0.03 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3gcg h GLU 115 Cb 0.68 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3gcg h GLU 115 CO 0.05 0.44 0.01 -0.91 -0.73 0.00 0.00 179.01 177.87 3gcg h ASN 116 N 0.24 0.40 -0.62 1.04 2.35 0.13 0.95 115.58 120.08 3gcg h ASN 116 Ca 0.08 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 55.54 3gcg h ASN 116 Cb 0.21 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 3gcg h ASN 116 CO -0.00 0.60 0.41 0.00 -1.65 0.00 0.00 177.43 176.78 3gcg h ALA 117 N 0.81 1.59 0.00 -0.83 0.00 -1.17 -2.62 119.26 117.04 3gcg h ALA 117 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gcg h ALA 117 Cb 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gcg h ALA 117 CO 0.01 0.37 -1.00 1.28 0.00 0.00 0.00 179.25 179.90 3gcg n LEU 118 N -4.45 0.63 -3.59 0.00 4.77 -0.52 -4.96 117.00 108.88 3gcg n LEU 118 Ca 0.07 0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.94 3gcg n LEU 118 Cb 0.07 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3gcg n LEU 118 CO 0.36 -0.02 0.02 0.00 -1.33 0.00 0.00 177.39 176.42 3gcg n GLN 119 N -2.14 -5.77 -3.75 3.23 1.13 0.30 -4.99 117.38 105.39 3gcg n GLN 119 Ca 0.01 0.72 -0.13 0.00 -1.94 0.00 0.00 57.00 55.67 3gcg n GLN 119 Cb 0.47 -5.50 -0.13 0.00 0.11 0.00 0.00 30.24 25.18 3gcg n GLN 119 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3gcg s GLN 120 N -5.76 0.16 0.31 -1.09 2.00 -1.03 -5.07 119.66 109.18 3gcg s GLN 120 Ca 0.05 0.41 -0.29 0.00 -2.00 0.00 0.00 55.36 53.52 3gcg s GLN 120 Cb -0.02 -0.10 -0.10 0.00 0.80 0.00 0.00 33.01 33.59 3gcg s GLN 120 CO 0.78 -0.14 1.26 -1.25 -0.50 0.00 0.00 175.29 175.44 3gcg s PRO 121 N 0.98 4.42 0.35 1.67 0.04 -1.26 -4.60 135.00 136.60 3gcg s PRO 121 Ca -0.07 2.11 0.05 0.00 0.04 0.00 0.00 61.00 63.13 3gcg s PRO 121 Cb -0.09 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.28 3gcg s PRO 121 CO -0.06 -0.11 0.05 -0.51 0.04 0.00 0.00 177.00 176.41 3gcg s LEU 122 N -1.55 2.36 -0.15 -3.56 1.43 -1.26 -4.61 118.68 111.33 3gcg s LEU 122 Ca 0.49 -1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.17 3gcg s LEU 122 Cb -0.38 -0.51 0.05 0.00 0.03 0.00 0.00 46.19 45.38 3gcg s LEU 122 CO 0.49 -0.57 0.08 -0.62 0.23 0.00 0.00 176.35 175.95 3gcg s ASP 123 N -3.55 2.18 0.00 2.29 3.68 -1.26 -5.02 116.67 114.99 3gcg s ASP 123 Ca 0.36 -0.50 0.03 0.00 2.13 0.00 0.00 52.55 54.56 3gcg s ASP 123 Cb 0.09 -0.27 0.15 0.00 -1.45 0.00 0.00 42.92 41.44 3gcg s ASP 123 CO 0.16 -0.32 0.73 1.15 0.13 0.00 0.00 175.17 177.01 3gcg n MET 124 N 5.25 0.07 0.00 4.34 0.00 -1.26 -0.35 117.12 125.17 3gcg n MET 124 Ca -0.07 0.08 0.11 0.00 0.00 0.00 0.00 57.70 57.83 3gcg n MET 124 Cb 0.49 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 32.22 3gcg n MET 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3gcg n ASN 125 N -1.09 1.88 -4.69 3.17 5.03 -1.26 -4.97 115.26 113.33 3gcg n ASN 125 Ca 0.02 -1.43 -0.44 0.00 0.87 0.00 0.00 54.58 53.59 3gcg n ASN 125 Cb 0.01 0.51 -0.03 0.00 -1.02 0.00 0.00 39.78 39.25 3gcg n ASN 125 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gcg n GLY 126 N 1.42 1.21 0.00 7.41 0.00 0.52 -4.80 105.19 110.96 3gcg n GLY 126 Ca 0.09 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3gcg n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gcg n ALA 127 N 3.26 0.00 -3.83 4.61 0.00 -1.26 -3.49 120.51 119.80 3gcg n ALA 127 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.32 3gcg n ALA 127 Cb 0.31 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.60 3gcg n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3gcg s GLN 128 N 0.00 1.07 0.04 0.00 -1.52 -1.26 -4.93 119.66 113.06 3gcg s GLN 128 Ca 0.00 -0.40 -0.25 0.00 -1.95 0.00 0.00 55.36 52.76 3gcg s GLN 128 Cb 0.00 -1.88 -0.05 0.00 -0.22 0.00 0.00 33.01 30.86 3gcg s GLN 128 CO 0.00 -0.48 0.76 0.45 -0.25 0.00 0.00 175.29 175.77 3gcg s SER 129 N 1.75 7.21 0.19 5.90 0.15 -1.26 -4.88 113.70 122.75 3gcg s SER 129 Ca 0.01 1.44 0.23 0.00 0.70 0.00 0.00 55.95 58.33 3gcg s SER 129 Cb -0.15 -2.47 0.90 0.00 -1.71 0.00 0.00 66.02 62.60 3gcg s SER 129 CO -0.07 0.02 1.71 -1.54 1.20 0.00 0.00 173.24 174.55 3gcg n SER 130 N 2.81 0.55 -0.04 5.45 3.41 -1.26 -2.44 113.62 122.09 3gcg n SER 130 Ca -0.03 0.61 -0.14 0.00 -0.26 0.00 0.00 58.87 59.05 3gcg n SER 130 Cb 0.50 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 63.64 3gcg n SER 130 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3gcg h ILE 131 N 0.00 1.38 -0.39 -1.33 2.04 -1.98 0.70 117.51 117.93 3gcg h ILE 131 Ca 0.00 -1.59 -0.10 0.00 1.00 0.00 0.00 64.86 64.18 3gcg h ILE 131 Cb 0.45 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 3gcg h ILE 131 CO 0.00 0.47 -0.15 1.23 0.00 0.00 0.00 178.15 179.70 3gcg h GLY 132 N -0.02 0.77 1.62 5.37 0.00 -1.82 -2.01 103.07 106.98 3gcg h GLY 132 Ca -0.00 -0.60 -0.17 0.00 0.00 0.00 0.00 47.33 46.57 3gcg h GLY 132 CO 0.06 0.55 -0.64 0.45 0.00 0.00 0.00 176.54 176.96 3gcg h HIS 133 N 0.64 0.50 -0.16 5.60 3.86 -1.44 -2.82 115.15 121.32 3gcg h HIS 133 Ca 0.10 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.11 3gcg h HIS 133 Cb 0.62 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 3gcg h HIS 133 CO 0.03 0.92 0.09 0.35 0.86 0.00 0.00 177.93 180.17 3gcg h PHE 134 N 0.28 0.22 -0.88 2.45 3.57 -0.57 -2.79 116.94 119.22 3gcg h PHE 134 Ca -0.01 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.57 3gcg h PHE 134 Cb 1.19 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.80 3gcg h PHE 134 CO 0.04 0.21 0.57 -0.07 -2.23 0.00 0.00 178.31 176.83 3gcg h LEU 135 N 0.16 0.81 -1.41 0.59 3.38 -1.29 -2.63 115.31 114.92 3gcg h LEU 135 Ca 0.06 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.29 3gcg h LEU 135 Cb 0.07 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 3gcg h LEU 135 CO -0.01 0.49 0.65 -0.61 0.09 0.00 0.00 178.44 179.05 3gcg h GLN 136 N 0.90 0.40 -0.18 1.13 -0.00 -1.23 -1.24 115.11 114.88 3gcg h GLN 136 Ca 0.40 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.99 3gcg h GLN 136 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 3gcg h GLN 136 CO -0.16 0.26 -0.05 -1.13 0.00 0.00 0.00 178.83 177.75 3gcg n SER 137 N -4.58 3.01 -4.73 -0.69 3.41 -1.00 -4.95 113.62 104.09 3gcg n SER 137 Ca 0.23 -3.24 -0.38 0.00 -0.26 0.00 0.00 58.87 55.23 3gcg n SER 137 Cb 0.82 -0.53 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 3gcg n SER 137 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3gcg s ASN 138 N -2.42 6.64 0.07 4.04 3.84 -0.47 -5.01 114.94 121.63 3gcg s ASN 138 Ca 0.39 0.76 -0.34 0.00 0.21 0.00 0.00 52.86 53.88 3gcg s ASN 138 Cb 0.34 -2.26 -0.19 0.00 -0.55 0.00 0.00 41.25 38.58 3gcg s ASN 138 CO 0.04 0.04 1.62 0.11 -2.79 0.00 0.00 177.10 176.12 3gcg h LYS 139 N 6.57 -0.96 -0.43 0.43 1.57 -1.94 -1.46 116.57 120.36 3gcg h LYS 139 Ca -0.42 0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.51 3gcg h LYS 139 Cb 1.18 0.22 -0.07 0.00 0.08 0.00 0.00 32.23 33.63 3gcg h LYS 139 CO 0.75 -0.64 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.05 3gcg h TYR 140 N -0.99 -0.06 -0.39 -1.35 3.20 -1.96 -0.09 116.97 115.33 3gcg h TYR 140 Ca -0.10 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 3gcg h TYR 140 Cb 0.76 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 3gcg h TYR 140 CO -0.03 -0.11 0.24 0.35 -1.64 0.00 0.00 178.16 176.97 3gcg h PHE 141 N 0.09 0.51 0.00 -3.82 3.57 -1.87 -2.81 116.94 112.61 3gcg h PHE 141 Ca 0.21 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3gcg h PHE 141 Cb 0.31 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3gcg h PHE 141 CO -0.30 0.37 -0.26 -0.91 -2.23 0.00 0.00 178.31 174.98 3gcg h ASN 142 N 0.51 0.00 -0.44 0.41 2.35 -0.70 -1.43 115.58 116.28 3gcg h ASN 142 Ca 0.14 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 3gcg h ASN 142 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3gcg h ASN 142 CO -0.03 0.26 0.03 -0.61 -1.65 0.00 0.00 177.43 175.43 3gcg h GLN 143 N 0.00 0.83 -0.13 0.81 5.75 -0.78 -0.37 115.11 121.22 3gcg h GLN 143 Ca -0.00 -0.22 -0.14 0.00 -0.15 0.00 0.00 58.65 58.14 3gcg h GLN 143 Cb 0.67 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 3gcg h GLN 143 CO 0.03 0.82 -0.54 0.87 -2.65 0.00 0.00 178.83 177.36 3gcg h LYS 144 N 0.78 0.37 -0.24 1.69 1.79 -1.12 -1.70 116.57 118.14 3gcg h LYS 144 Ca 0.15 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 3gcg h LYS 144 Cb 0.43 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 3gcg h LYS 144 CO 0.02 0.81 0.11 0.28 -1.08 0.00 0.00 179.45 179.59 3gcg h VAL 145 N 0.28 1.14 0.71 0.50 2.07 -0.44 -0.74 116.25 119.78 3gcg h VAL 145 Ca 0.01 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 3gcg h VAL 145 Cb 1.04 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3gcg h VAL 145 CO 0.09 0.14 -0.43 0.44 0.02 0.00 0.00 177.57 177.83 3gcg h ASP 146 N 0.25 -1.07 -1.00 0.57 3.32 -0.97 0.07 116.42 117.60 3gcg h ASP 146 Ca 0.08 0.06 0.34 0.00 0.02 0.00 0.00 57.03 57.53 3gcg h ASP 146 Cb 0.12 0.31 -0.16 0.00 0.22 0.00 0.00 39.33 39.82 3gcg h ASP 146 CO -0.01 -0.66 0.54 -0.33 -1.72 0.00 0.00 179.24 177.06 3gcg h GLU 147 N -1.06 0.22 -0.03 3.56 5.08 -1.26 0.30 114.58 121.38 3gcg h GLU 147 Ca -0.10 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 3gcg h GLU 147 Cb 0.85 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3gcg h GLU 147 CO 0.11 0.15 -0.64 0.37 -1.00 0.00 0.00 179.01 177.99 3gcg h GLN 148 N 0.23 0.14 0.00 2.33 5.75 -0.57 -2.98 115.11 120.00 3gcg h GLN 148 Ca 0.76 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 59.15 3gcg h GLN 148 Cb 1.80 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 30.36 3gcg h GLN 148 CO -0.66 0.73 -0.02 0.00 -2.65 0.00 0.00 178.83 176.23 3gcg n GLY 150 N 0.42 2.09 0.26 0.00 0.00 -0.85 -0.56 105.19 106.54 3gcg n GLY 150 Ca 0.02 0.44 0.10 0.00 0.00 0.00 0.00 46.02 46.58 3gcg n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gcg h LYS 151 N 0.00 0.00 -5.80 1.61 1.57 -1.91 -3.44 116.57 108.60 3gcg h LYS 151 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 3gcg h LYS 151 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 3gcg h LYS 151 CO 0.00 0.10 -0.29 1.03 -0.57 0.00 0.00 179.45 179.72 3gcg s ARG 152 N -4.56 3.89 -0.45 3.15 0.52 0.27 -4.98 118.95 116.79 3gcg s ARG 152 Ca -0.04 0.22 0.07 0.00 -0.52 0.00 0.00 55.73 55.46 3gcg s ARG 152 Cb 0.15 -3.26 0.29 0.00 0.52 0.00 0.00 34.95 32.65 3gcg s ARG 152 CO 0.63 0.60 0.91 0.28 0.02 0.00 0.00 175.30 177.73 3gcg n VAL 153 N 2.29 -0.12 -3.38 3.52 0.31 -1.26 -4.74 118.33 114.94 3gcg n VAL 153 Ca -0.15 -2.30 -0.43 0.00 -0.01 0.00 0.00 64.34 61.46 3gcg n VAL 153 Cb 0.53 0.78 -0.09 0.00 -0.91 0.00 0.00 33.84 34.15 3gcg n VAL 153 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3gcg s ASP 154 N -1.58 6.16 0.21 4.52 2.15 -1.26 -4.94 116.67 121.93 3gcg s ASP 154 Ca 0.30 -0.68 0.12 0.00 0.43 0.00 0.00 52.55 52.72 3gcg s ASP 154 Cb 0.26 -2.20 0.76 0.00 -0.30 0.00 0.00 42.92 41.44 3gcg s ASP 154 CO -0.13 -0.50 0.90 -0.81 -0.17 0.00 0.00 175.17 174.46 3gcg n PRO 155 N 5.42 -0.03 0.07 4.34 -0.04 -1.26 0.17 135.00 143.66 3gcg n PRO 155 Ca -0.09 0.78 -0.12 0.00 -0.04 0.00 0.00 63.50 64.03 3gcg n PRO 155 Cb 0.48 -1.40 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 3gcg n PRO 155 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3gcg h ILE 156 N 0.00 0.97 -0.82 0.52 1.08 -1.99 -1.93 117.51 115.35 3gcg h ILE 156 Ca 0.48 -0.91 0.04 0.00 -0.39 0.00 0.00 64.86 64.08 3gcg h ILE 156 Cb 1.26 1.50 -0.05 0.00 -3.07 0.00 0.00 36.82 36.46 3gcg h ILE 156 CO -0.44 0.20 0.52 0.74 -0.69 0.00 0.00 178.15 178.48 3gcg h THR 157 N -0.68 1.11 -0.44 -0.27 2.02 -0.68 0.27 112.91 114.25 3gcg h THR 157 Ca -0.02 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 3gcg h THR 157 Cb 0.49 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3gcg h THR 157 CO 0.04 0.18 0.26 -0.09 0.37 0.00 0.00 175.52 176.28 3gcg h ARG 158 N 1.00 0.59 -0.25 6.66 9.65 -1.30 -0.92 114.38 129.82 3gcg h ARG 158 Ca 0.33 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.16 3gcg h ARG 158 Cb 0.04 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 3gcg h ARG 158 CO -0.12 0.43 0.14 0.35 2.80 0.00 0.00 179.97 183.57 3gcg h PHE 159 N 0.58 0.33 -0.85 2.20 3.57 -0.50 0.70 116.94 122.98 3gcg h PHE 159 Ca 0.16 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3gcg h PHE 159 Cb -0.01 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 3gcg h PHE 159 CO -0.03 0.27 0.43 -0.91 -2.23 0.00 0.00 178.31 175.83 3gcg h ASN 160 N 0.30 1.09 -0.81 0.41 2.35 -0.80 -0.27 115.58 117.85 3gcg h ASN 160 Ca 0.09 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3gcg h ASN 160 Cb 0.04 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 3gcg h ASN 160 CO -0.02 0.90 0.45 0.74 -1.65 0.00 0.00 177.43 177.85 3gcg h THR 161 N 1.20 1.24 -0.30 2.81 2.02 -0.81 -0.22 112.91 118.85 3gcg h THR 161 Ca 0.29 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 3gcg h THR 161 Cb 0.08 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3gcg h THR 161 CO -0.04 0.27 0.18 -0.61 0.37 0.00 0.00 175.52 175.68 3gcg h GLN 162 N 1.12 0.41 -0.60 6.66 4.15 0.30 -0.86 115.11 126.28 3gcg h GLN 162 Ca 0.28 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.60 3gcg h GLN 162 Cb 0.03 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 3gcg h GLN 162 CO -0.05 0.32 0.11 1.79 -1.93 0.00 0.00 178.83 179.07 3gcg h THR 163 N 0.38 1.25 -0.53 2.39 1.35 -0.65 0.12 112.91 117.22 3gcg h THR 163 Ca 0.11 -0.95 -0.07 0.00 -0.55 0.00 0.00 66.41 64.96 3gcg h THR 163 Cb 0.02 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 67.08 3gcg h THR 163 CO -0.02 0.35 0.08 0.11 -0.25 0.00 0.00 175.52 175.79 3gcg h LYS 164 N 0.91 0.88 -0.07 4.72 1.57 -0.77 -1.83 116.57 121.99 3gcg h LYS 164 Ca 0.19 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 3gcg h LYS 164 Cb 0.38 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3gcg h LYS 164 CO 0.01 0.87 -0.46 0.52 -0.57 0.00 0.00 179.45 179.81 3gcg h MET 165 N 0.76 0.17 -0.69 3.15 2.86 -0.85 -2.49 114.93 117.85 3gcg h MET 165 Ca 0.16 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3gcg h MET 165 Cb 0.42 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 3gcg h MET 165 CO 0.01 0.60 0.15 0.82 1.06 0.00 0.00 176.91 179.55 3gcg h ILE 166 N 0.14 1.26 0.06 -1.22 2.04 -0.41 -0.78 117.51 118.61 3gcg h ILE 166 Ca 0.01 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 3gcg h ILE 166 Cb 0.88 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3gcg h ILE 166 CO 0.07 0.38 -0.03 -0.08 0.00 0.00 0.00 178.15 178.49 3gcg h GLU 167 N 1.04 -0.08 -0.17 2.37 4.57 -1.09 -2.24 114.58 118.98 3gcg h GLU 167 Ca 0.21 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.41 3gcg h GLU 167 Cb 0.40 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3gcg h GLU 167 CO 0.01 0.09 0.08 1.96 -1.18 0.00 0.00 179.01 179.97 3gcg h GLN 168 N -0.23 0.18 -0.16 1.92 4.20 -1.29 -2.70 115.11 117.03 3gcg h GLN 168 Ca -0.01 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 3gcg h GLN 168 Cb 0.20 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3gcg h GLN 168 CO 0.01 0.12 -0.57 0.28 -0.67 0.00 0.00 178.83 178.00 3gcg h VAL 169 N 0.18 1.33 -0.23 -0.54 2.07 -1.18 -2.61 116.25 115.27 3gcg h VAL 169 Ca 0.07 -1.84 -0.14 0.00 0.82 0.00 0.00 66.70 65.61 3gcg h VAL 169 Cb 0.01 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3gcg h VAL 169 CO -0.04 0.57 -0.43 0.77 0.02 0.00 0.00 177.57 178.45 3gcg h SER 170 N 0.38 0.59 -0.72 0.57 4.64 -1.41 0.14 113.55 117.74 3gcg h SER 170 Ca 0.00 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 61.01 3gcg h SER 170 Cb 1.10 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 3gcg h SER 170 CO 0.10 0.95 0.30 -0.61 -0.87 0.00 0.00 176.83 176.70 3gcg h GLN 171 N 0.45 1.08 -0.54 4.77 4.15 -1.44 0.38 115.11 123.96 3gcg h GLN 171 Ca 0.03 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.17 3gcg h GLN 171 Cb 0.94 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 3gcg h GLN 171 CO 0.08 0.88 -0.03 0.93 -1.93 0.00 0.00 178.83 178.76 3gcg h GLU 172 N 1.04 0.96 -0.23 1.69 5.08 -1.10 -1.50 114.58 120.51 3gcg h GLU 172 Ca 0.24 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 3gcg h GLU 172 Cb 0.20 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3gcg h GLU 172 CO -0.02 0.96 -0.40 0.82 -1.00 0.00 0.00 179.01 179.37 3gcg h ILE 173 N 0.87 1.30 0.00 3.13 2.04 -0.01 -2.88 117.51 121.96 3gcg h ILE 173 Ca 0.15 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 3gcg h ILE 173 Cb 0.56 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3gcg h ILE 173 CO 0.03 0.49 -0.00 0.15 0.00 0.00 0.00 178.15 178.82 3gcg h PHE 174 N 0.44 -0.00 0.00 1.37 3.57 -0.01 -3.00 116.94 119.31 3gcg h PHE 174 Ca 0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3gcg h PHE 174 Cb 0.89 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.63 3gcg h PHE 174 CO 0.03 0.31 0.00 0.93 -2.23 0.00 0.00 178.31 177.35 3gcg h GLU 175 N -0.32 0.00 0.00 1.11 5.08 -1.26 0.64 114.58 119.84 3gcg h GLU 175 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3gcg h GLU 175 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3gcg h GLU 175 CO 0.00 0.00 -1.13 0.54 -1.00 0.00 0.00 179.01 177.42 3gcg n ARG 176 N -3.08 0.61 -0.00 2.33 1.74 -1.09 -4.20 116.66 112.97 3gcg n ARG 176 Ca -0.01 0.12 0.02 0.00 -0.77 0.00 0.00 57.85 57.20 3gcg n ARG 176 Cb 0.20 -1.81 -0.02 0.00 -1.02 0.00 0.00 32.46 29.82 3gcg n ARG 176 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3gcg n ASN 177 N -2.68 1.14 -2.59 0.55 3.02 -1.05 -4.76 115.26 108.89 3gcg n ASN 177 Ca -0.02 -0.44 -0.21 0.00 -0.03 0.00 0.00 54.58 53.88 3gcg n ASN 177 Cb 0.60 1.04 0.00 0.00 -0.61 0.00 0.00 39.78 40.81 3gcg n ASN 177 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3gcg n PHE 178 N -1.21 2.67 -0.78 3.10 3.01 0.22 -4.97 117.46 119.50 3gcg n PHE 178 Ca 0.00 -3.11 -0.23 0.00 1.01 0.00 0.00 57.45 55.12 3gcg n PHE 178 Cb 0.06 -0.21 -0.02 0.00 -0.01 0.00 0.00 39.48 39.29 3gcg n PHE 178 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3gcg n SER 179 N -0.31 5.20 0.07 4.37 7.64 -1.26 -3.85 113.62 125.48 3gcg n SER 179 Ca 0.29 -2.33 0.05 0.00 1.01 0.00 0.00 58.87 57.89 3gcg n SER 179 Cb 0.69 -1.13 -0.04 0.00 -1.01 0.00 0.00 64.21 62.72 3gcg n SER 179 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3gcg h GLY 180 N 8.01 0.00 0.00 0.23 0.00 -1.93 -3.48 103.07 105.90 3gcg h GLY 180 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3gcg h GLY 180 CO 1.41 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.64 3gcg n PHE 181 N -2.84 0.00 -2.64 5.60 3.72 -1.25 -5.09 117.46 114.96 3gcg n PHE 181 Ca -0.05 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.05 3gcg n PHE 181 Cb 0.72 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.24 3gcg n PHE 181 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3gcg s LYS 182 N -1.59 3.71 0.22 -1.08 1.02 -1.26 -4.90 119.74 115.86 3gcg s LYS 182 Ca 0.00 0.47 -0.07 0.00 0.02 0.00 0.00 55.97 56.39 3gcg s LYS 182 Cb 0.00 -2.33 0.30 0.00 -0.52 0.00 0.00 37.83 35.29 3gcg s LYS 182 CO 0.00 -0.17 1.80 0.28 -0.92 0.00 0.00 175.35 176.35 3gcg h VAL 183 N 0.68 0.92 -0.55 3.17 2.07 -1.98 0.71 116.25 121.27 3gcg h VAL 183 Ca -0.47 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 3gcg h VAL 183 Cb 1.19 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3gcg h VAL 183 CO 0.63 0.13 0.14 0.77 0.02 0.00 0.00 177.57 179.26 3gcg h SER 184 N 0.69 0.78 -0.03 0.57 4.64 -1.99 -0.36 113.55 117.85 3gcg h SER 184 Ca 0.34 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 3gcg h SER 184 Cb 0.27 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3gcg h SER 184 CO -0.22 0.75 -0.00 -0.33 -0.87 0.00 0.00 176.83 176.16 3gcg h GLU 185 N 0.81 0.05 -0.52 4.77 5.08 -1.68 -1.37 114.58 121.72 3gcg h GLU 185 Ca 0.18 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 3gcg h GLU 185 Cb 0.28 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 3gcg h GLU 185 CO -0.00 0.39 0.11 0.82 -1.00 0.00 0.00 179.01 179.33 3gcg h ILE 186 N -0.29 0.72 -0.26 3.13 2.04 -0.59 0.59 117.51 122.85 3gcg h ILE 186 Ca 0.01 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3gcg h ILE 186 Cb 0.37 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3gcg h ILE 186 CO 0.00 0.05 0.10 0.11 0.00 0.00 0.00 178.15 178.41 3gcg h LYS 187 N 0.25 0.22 -0.15 2.37 1.57 -0.97 -0.60 116.57 119.26 3gcg h LYS 187 Ca 0.26 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3gcg h LYS 187 Cb 0.35 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3gcg h LYS 187 CO -0.33 0.14 0.07 0.00 -0.57 0.00 0.00 179.45 178.76 3gcg h ALA 188 N 1.15 0.20 -0.68 3.86 0.00 -0.58 0.57 119.26 123.77 3gcg h ALA 188 Ca 0.11 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3gcg h ALA 188 Cb 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3gcg h ALA 188 CO -0.10 -0.23 0.38 0.82 0.00 0.00 0.00 179.25 180.11 3gcg h ILE 189 N 0.11 0.96 -0.23 0.00 2.04 -0.77 -1.18 117.51 118.43 3gcg h ILE 189 Ca 0.05 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3gcg h ILE 189 Cb 0.14 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3gcg h ILE 189 CO -0.01 0.13 0.09 0.74 0.00 0.00 0.00 178.15 179.10 3gcg h THR 190 N 0.69 1.17 -0.88 -0.27 2.02 -0.79 -1.85 112.91 113.00 3gcg h THR 190 Ca 0.31 -0.51 0.13 0.00 0.77 0.00 0.00 66.41 67.11 3gcg h THR 190 Cb 0.20 1.07 -0.09 0.00 -1.74 0.00 0.00 68.15 67.59 3gcg h THR 190 CO -0.19 0.17 0.50 1.56 0.37 0.00 0.00 175.52 177.93 3gcg h GLN 191 N 0.23 0.72 0.00 6.66 4.20 -0.33 0.27 115.11 126.85 3gcg h GLN 191 Ca 0.08 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 3gcg h GLN 191 Cb 0.18 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3gcg h GLN 191 CO -0.01 0.48 -0.34 -0.97 -0.67 0.00 0.00 178.83 177.32 3gcg h ASN 192 N 0.74 0.00 -0.03 1.46 -0.73 -0.92 -0.50 115.58 115.59 3gcg h ASN 192 Ca 0.46 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.56 3gcg h ASN 192 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.17 3gcg h ASN 192 CO -0.32 0.34 -0.25 0.00 -0.37 0.00 0.00 177.43 176.83 3gcg h ALA 193 N 1.66 0.08 -0.54 1.57 0.00 0.22 -1.92 119.26 120.33 3gcg h ALA 193 Ca -0.00 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.53 3gcg h ALA 193 Cb 0.70 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3gcg h ALA 193 CO 0.04 0.10 0.24 0.82 0.00 0.00 0.00 179.25 180.46 3gcg h ILE 194 N -0.35 0.90 -0.60 0.00 2.04 -0.44 0.20 117.51 119.26 3gcg h ILE 194 Ca -0.02 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3gcg h ILE 194 Cb 0.94 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3gcg h ILE 194 CO 0.05 0.09 0.39 0.25 0.00 0.00 0.00 178.15 178.92 3gcg h LEU 195 N 0.47 0.66 -0.36 1.44 6.46 -1.10 0.75 115.31 123.62 3gcg h LEU 195 Ca 0.25 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.88 3gcg h LEU 195 Cb 0.21 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 3gcg h LEU 195 CO -0.20 0.47 -0.23 -0.08 -0.62 0.00 0.00 178.44 177.78 3gcg h GLU 196 N 0.78 0.80 0.00 1.25 4.81 -0.48 -3.36 114.58 118.38 3gcg h GLU 196 Ca 0.22 -0.37 -0.13 0.00 -0.13 0.00 0.00 59.36 58.95 3gcg h GLU 196 Cb -0.06 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3gcg h GLU 196 CO -0.06 1.00 -2.06 0.72 -0.73 0.00 0.00 179.01 177.88 3gcg n HIS 197 N -4.24 0.00 1.49 0.92 8.25 0.61 -5.09 115.22 117.16 3gcg n HIS 197 Ca -0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.58 3gcg n HIS 197 Cb 0.45 -0.64 0.52 0.00 1.12 0.00 0.00 29.99 31.44 3gcg n HIS 197 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26