#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gi7 h GLN 38 N 0.00 0.79 -0.24 -0.67 7.50 -2.05 -2.42 115.11 118.02 3gi7 h GLN 38 Ca 0.00 -0.05 -0.13 0.00 0.50 0.00 0.00 58.65 58.97 3gi7 h GLN 38 Cb 0.00 -0.18 -0.00 0.00 0.05 0.00 0.00 27.48 27.35 3gi7 h GLN 38 CO 0.00 0.52 -0.36 1.96 -1.50 0.00 0.00 178.83 179.45 3gi7 h GLN 39 N 0.81 0.66 -0.42 1.46 4.20 -2.05 0.87 115.11 120.64 3gi7 h GLN 39 Ca 0.43 -0.39 0.05 0.00 0.06 0.00 0.00 58.65 58.79 3gi7 h GLN 39 Cb 0.53 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 3gi7 h GLN 39 CO -0.19 1.01 0.16 1.15 -0.67 0.00 0.00 178.83 180.29 3gi7 h THR 40 N 0.37 0.89 0.10 -0.54 2.02 -1.97 0.01 112.91 113.78 3gi7 h THR 40 Ca 0.02 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3gi7 h THR 40 Cb 0.95 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3gi7 h THR 40 CO 0.08 0.06 -0.05 0.15 0.37 0.00 0.00 175.52 176.14 3gi7 h PHE 41 N 0.34 -0.12 -0.62 3.16 3.57 -1.29 -1.28 116.94 120.70 3gi7 h PHE 41 Ca 0.19 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3gi7 h PHE 41 Cb 0.17 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3gi7 h PHE 41 CO -0.14 -0.00 0.29 0.00 -2.23 0.00 0.00 178.31 176.23 3gi7 h ALA 42 N 0.69 0.80 -0.34 2.41 0.00 -0.69 -2.42 119.26 119.72 3gi7 h ALA 42 Ca -0.01 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3gi7 h ALA 42 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gi7 h ALA 42 CO 0.02 0.37 -0.38 0.00 0.00 0.00 0.00 179.25 179.26 3gi7 h ALA 44 N 0.91 0.77 -0.44 0.00 0.00 -1.13 0.74 119.26 120.11 3gi7 h ALA 44 Ca 0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3gi7 h ALA 44 Cb 0.94 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3gi7 h ALA 44 CO 0.09 0.25 0.09 0.00 0.00 0.00 0.00 179.25 179.68 3gi7 h ALA 45 N 1.19 0.59 -0.44 0.00 0.00 -1.24 -1.96 119.26 117.39 3gi7 h ALA 45 Ca 0.22 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3gi7 h ALA 45 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3gi7 h ALA 45 CO -0.04 0.29 0.05 0.35 0.00 0.00 0.00 179.25 179.90 3gi7 h PHE 46 N 0.59 0.80 -0.74 0.00 3.04 -0.72 -1.78 116.94 118.13 3gi7 h PHE 46 Ca 0.14 -0.12 0.06 0.00 3.98 0.00 0.00 57.97 62.02 3gi7 h PHE 46 Cb 0.35 -0.21 -0.06 0.00 2.56 0.00 0.00 35.95 38.59 3gi7 h PHE 46 CO 0.02 0.77 0.44 -0.97 -2.02 0.00 0.00 178.31 176.55 3gi7 h ASN 47 N 0.59 0.68 -0.40 0.41 -1.24 -0.83 0.35 115.58 115.14 3gi7 h ASN 47 Ca 0.13 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 3gi7 h ASN 47 Cb 0.42 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 3gi7 h ASN 47 CO 0.01 0.44 0.23 0.50 -1.29 0.00 0.00 177.43 177.33 3gi7 h LYS 48 N 0.82 0.56 -0.50 6.67 3.11 -1.08 -0.26 116.57 125.89 3gi7 h LYS 48 Ca 0.33 -0.06 0.02 0.00 -2.81 0.00 0.00 60.65 58.13 3gi7 h LYS 48 Cb 0.16 -0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.25 3gi7 h LYS 48 CO -0.17 0.43 0.30 1.96 -2.81 0.00 0.00 179.45 179.17 3gi7 h GLN 49 N 0.53 0.59 -0.35 1.90 4.20 -0.49 -0.94 115.11 120.55 3gi7 h GLN 49 Ca 0.14 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 3gi7 h GLN 49 Cb 0.03 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3gi7 h GLN 49 CO -0.03 0.39 0.19 0.28 -0.67 0.00 0.00 178.83 178.99 3gi7 h VAL 50 N 0.61 1.15 -0.88 -0.54 2.07 -0.79 -1.15 116.25 116.72 3gi7 h VAL 50 Ca 0.20 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3gi7 h VAL 50 Cb -0.00 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3gi7 h VAL 50 CO -0.08 0.16 0.57 0.00 0.02 0.00 0.00 177.57 178.23 3gi7 h ALA 51 N 1.04 1.33 -0.11 1.67 0.00 -0.71 -1.04 119.26 121.44 3gi7 h ALA 51 Ca 0.12 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3gi7 h ALA 51 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3gi7 h ALA 51 CO -0.02 0.60 -0.48 0.93 0.00 0.00 0.00 179.25 180.28 3gi7 h GLU 52 N 1.21 0.29 -0.50 0.00 5.08 -0.89 -1.39 114.58 118.38 3gi7 h GLU 52 Ca 0.32 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3gi7 h GLU 52 Cb -0.11 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3gi7 h GLU 52 CO -0.07 0.72 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.57 3gi7 h ARG 53 N 0.24 0.88 -0.25 2.33 9.65 -0.69 -0.57 114.38 125.97 3gi7 h ARG 53 Ca 0.01 -0.28 -0.12 0.00 -1.10 0.00 0.00 59.98 58.50 3gi7 h ARG 53 Cb 0.94 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.43 3gi7 h ARG 53 CO 0.08 0.91 -0.33 0.93 2.80 0.00 0.00 179.97 184.36 3gi7 h GLU 54 N 0.74 0.52 -0.40 0.20 5.08 -1.10 -1.53 114.58 118.10 3gi7 h GLU 54 Ca 0.14 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3gi7 h GLU 54 Cb 0.52 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3gi7 h GLU 54 CO 0.03 0.79 0.08 1.25 -1.00 0.00 0.00 179.01 180.16 3gi7 h LEU 55 N 0.45 0.62 -0.81 1.33 5.85 -1.11 0.13 115.31 121.77 3gi7 h LEU 55 Ca 0.05 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3gi7 h LEU 55 Cb 0.79 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3gi7 h LEU 55 CO 0.06 0.71 0.45 -0.61 -0.34 0.00 0.00 178.44 178.71 3gi7 h GLN 56 N 0.51 1.13 -0.66 1.25 5.75 -0.86 0.13 115.11 122.35 3gi7 h GLN 56 Ca 0.12 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3gi7 h GLN 56 Cb 0.34 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 3gi7 h GLN 56 CO 0.00 0.83 0.34 1.03 -2.65 0.00 0.00 178.83 178.39 3gi7 h SER 57 N 1.12 0.85 -0.65 -0.69 0.87 -1.10 0.88 113.55 114.83 3gi7 h SER 57 Ca 0.28 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3gi7 h SER 57 Cb 0.03 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 3gi7 h SER 57 CO -0.05 0.72 0.31 0.00 -0.53 0.00 0.00 176.83 177.28 3gi7 h ALA 58 N 1.16 0.83 0.06 6.23 0.00 -0.32 -0.65 119.26 126.57 3gi7 h ALA 58 Ca 0.23 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gi7 h ALA 58 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3gi7 h ALA 58 CO -0.03 0.40 -0.03 -0.92 0.00 0.00 0.00 179.25 178.66 3gi7 h TYR 59 N 0.89 -0.07 -0.83 0.00 3.20 -0.49 -0.40 116.97 119.27 3gi7 h TYR 59 Ca 0.22 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 3gi7 h TYR 59 Cb 0.12 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 3gi7 h TYR 59 CO 0.00 0.01 0.43 -0.44 -1.64 0.00 0.00 178.16 176.53 3gi7 h ASP 60 N -0.14 1.05 -0.04 -2.11 3.32 -0.62 -1.54 116.42 116.34 3gi7 h ASP 60 Ca -0.01 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 56.79 3gi7 h ASP 60 Cb 0.12 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3gi7 h ASP 60 CO 0.01 0.87 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.66 3gi7 h GLU 61 N 1.16 0.56 -0.22 3.56 5.08 -1.04 -1.94 114.58 121.74 3gi7 h GLU 61 Ca 0.29 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3gi7 h GLU 61 Cb 0.07 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3gi7 h GLU 61 CO -0.04 0.87 0.04 1.25 -1.00 0.00 0.00 179.01 180.13 3gi7 h LEU 62 N 0.46 0.01 -0.59 1.33 5.85 -0.59 -0.29 115.31 121.49 3gi7 h LEU 62 Ca 0.04 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.87 3gi7 h LEU 62 Cb 0.91 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 3gi7 h LEU 62 CO 0.08 0.04 0.25 0.40 -0.34 0.00 0.00 178.44 178.87 3gi7 h ILE 63 N 0.13 0.84 -0.31 4.05 1.08 -1.09 -2.36 117.51 119.85 3gi7 h ILE 63 Ca 0.10 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3gi7 h ILE 63 Cb 0.10 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 3gi7 h ILE 63 CO -0.13 0.08 0.18 -0.08 -0.69 0.00 0.00 178.15 177.51 3gi7 h GLU 64 N 0.46 0.42 -0.02 2.37 4.81 -1.10 -1.02 114.58 120.50 3gi7 h GLU 64 Ca 0.28 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3gi7 h GLU 64 Cb 0.30 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3gi7 h GLU 64 CO -0.25 0.35 0.00 0.54 -0.73 0.00 0.00 179.01 178.91 3gi7 n ARG 65 N -4.82 0.02 0.00 1.92 1.74 -0.14 -0.85 116.66 114.52 3gi7 n ARG 65 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3gi7 n ARG 65 Cb 0.07 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 3gi7 n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gi7 n ARG 67 N 0.47 0.00 -0.22 5.56 1.74 -0.39 -1.34 116.66 122.48 3gi7 n ARG 67 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 3gi7 n ARG 67 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.55 3gi7 n ARG 67 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3gi7 h ASP 68 N 0.00 0.44 0.69 0.55 3.32 -1.25 0.83 116.42 121.01 3gi7 h ASP 68 Ca 0.00 0.05 -0.24 0.00 0.02 0.00 0.00 57.03 56.86 3gi7 h ASP 68 Cb 0.00 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3gi7 h ASP 68 CO 0.00 0.27 -1.44 -0.61 -1.72 0.00 0.00 179.24 175.74 3gi7 h GLN 69 N 0.58 0.00 0.00 3.56 4.15 -1.47 -3.40 115.11 118.53 3gi7 h GLN 69 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.73 3gi7 h GLN 69 Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 3gi7 h GLN 69 CO -0.23 0.55 0.00 1.19 -1.93 0.00 0.00 178.83 178.41 3gi7 n PHE 70 N -3.09 0.00 -4.61 3.99 3.72 -1.21 -5.12 117.46 111.15 3gi7 n PHE 70 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3gi7 n PHE 70 Cb 0.97 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 3gi7 n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gi7 n GLY 71 N 0.28 0.57 2.35 1.37 0.00 0.28 -3.14 105.19 106.89 3gi7 n GLY 71 Ca 0.00 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 3gi7 n GLY 71 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gi7 n ASP 72 N -1.22 7.96 -4.73 1.61 5.75 -1.26 -4.56 116.55 120.10 3gi7 n ASP 72 Ca 0.00 -2.80 -0.42 0.00 -0.01 0.00 0.00 54.79 51.56 3gi7 n ASP 72 Cb 0.00 -1.45 -0.03 0.00 -1.03 0.00 0.00 41.12 38.61 3gi7 n ASP 72 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3gi7 s GLU 73 N 0.60 4.22 0.14 0.11 2.12 -1.19 -4.87 118.70 119.83 3gi7 s GLU 73 Ca 0.63 2.38 -0.33 0.00 0.36 0.00 0.00 54.97 58.02 3gi7 s GLU 73 Cb 0.21 -3.12 -0.12 0.00 0.26 0.00 0.00 34.13 31.37 3gi7 s GLU 73 CO -0.08 -0.55 1.72 0.00 -0.54 0.00 0.00 175.26 175.81 3gi7 n ALA 74 N 3.13 2.01 -0.07 6.30 0.00 -1.26 -2.31 120.51 128.31 3gi7 n ALA 74 Ca 0.11 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3gi7 n ALA 74 Cb 0.39 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.35 3gi7 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gi7 n GLY 75 N 3.89 2.41 0.49 0.00 0.00 -1.26 -5.05 105.19 105.67 3gi7 n GLY 75 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3gi7 n GLY 75 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gi7 n LEU 76 N 0.00 0.64 0.00 0.99 7.94 -0.98 -0.56 117.00 125.04 3gi7 n LEU 76 Ca 0.00 -0.32 0.00 0.00 -1.11 0.00 0.00 56.01 54.58 3gi7 n LEU 76 Cb 0.00 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 43.63 3gi7 n LEU 76 CO 0.00 0.16 0.00 -0.24 -1.11 0.00 0.00 177.39 176.20 3gi7 n SER 78 N 0.16 0.00 -0.28 1.96 2.88 -1.26 -1.91 113.62 115.17 3gi7 n SER 78 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 3gi7 n SER 78 Cb 0.16 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.68 3gi7 n SER 78 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3gi7 h ARG 79 N 0.00 1.10 -0.47 -1.46 3.08 -1.25 -0.56 114.38 114.82 3gi7 h ARG 79 Ca 0.00 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 3gi7 h ARG 79 Cb 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3gi7 h ARG 79 CO 0.00 0.86 -0.12 0.82 -1.07 0.00 0.00 179.97 180.47 3gi7 h ILE 80 N 1.07 1.27 -0.27 2.04 2.04 -1.64 -1.11 117.51 120.90 3gi7 h ILE 80 Ca 0.26 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 3gi7 h ILE 80 Cb 0.14 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3gi7 h ILE 80 CO -0.03 0.43 0.11 -0.33 0.00 0.00 0.00 178.15 178.33 3gi7 h GLU 81 N 0.75 0.41 -0.46 2.37 5.08 -1.80 -1.93 114.58 118.99 3gi7 h GLU 81 Ca 0.12 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3gi7 h GLU 81 Cb 0.67 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3gi7 h GLU 81 CO 0.05 0.43 0.24 0.00 -1.00 0.00 0.00 179.01 178.72 3gi7 h ALA 82 N 0.96 0.59 -0.72 3.43 0.00 -1.00 -1.41 119.26 121.10 3gi7 h ALA 82 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gi7 h ALA 82 Cb 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3gi7 h ALA 82 CO -0.01 0.13 0.39 0.00 0.00 0.00 0.00 179.25 179.76 3gi7 h ALA 83 N 1.08 0.92 -0.19 0.00 0.00 -1.11 -2.00 119.26 117.96 3gi7 h ALA 83 Ca 0.16 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3gi7 h ALA 83 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3gi7 h ALA 83 CO -0.02 0.43 -0.29 1.49 0.00 0.00 0.00 179.25 180.86 3gi7 h GLU 84 N 0.99 0.36 -0.25 0.00 4.57 -1.04 0.55 114.58 119.75 3gi7 h GLU 84 Ca 0.25 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3gi7 h GLU 84 Cb 0.04 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 3gi7 h GLU 84 CO -0.04 0.63 0.08 -0.22 -1.18 0.00 0.00 179.01 178.27 3gi7 h LYS 85 N 0.32 0.40 -0.87 1.92 3.64 -0.96 -1.53 116.57 119.49 3gi7 h LYS 85 Ca 0.04 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3gi7 h LYS 85 Cb 0.68 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 3gi7 h LYS 85 CO 0.05 0.48 0.49 0.28 -2.27 0.00 0.00 179.45 178.47 3gi7 h VAL 86 N 0.24 1.25 -0.80 2.00 2.07 -1.03 -2.14 116.25 117.85 3gi7 h VAL 86 Ca 0.08 -0.61 0.05 0.00 0.82 0.00 0.00 66.70 67.05 3gi7 h VAL 86 Cb 0.25 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 3gi7 h VAL 86 CO -0.00 0.28 0.49 -0.25 0.02 0.00 0.00 177.57 178.11 3gi7 h TRP 87 N 1.22 0.91 -0.03 1.57 7.01 -0.61 -0.10 115.95 125.90 3gi7 h TRP 87 Ca 0.31 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.24 3gi7 h TRP 87 Cb 0.01 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.76 3gi7 h TRP 87 CO 0.01 0.47 -0.40 0.66 -2.79 0.00 0.00 178.44 176.39 3gi7 h SER 88 N 0.91 0.07 -0.55 2.65 4.64 -0.65 0.13 113.55 120.76 3gi7 h SER 88 Ca 0.34 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.53 3gi7 h SER 88 Cb 0.14 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 3gi7 h SER 88 CO -0.16 0.47 -0.09 1.56 -0.87 0.00 0.00 176.83 177.74 3gi7 h GLN 89 N 0.06 1.02 -0.52 4.77 4.20 -0.84 -2.36 115.11 121.44 3gi7 h GLN 89 Ca 0.00 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.29 3gi7 h GLN 89 Cb 0.74 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 3gi7 h GLN 89 CO 0.06 1.06 0.13 1.25 -0.67 0.00 0.00 178.83 180.65 3gi7 h LEU 90 N 0.90 0.79 -0.30 1.46 5.85 -0.21 -1.68 115.31 122.13 3gi7 h LEU 90 Ca 0.14 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3gi7 h LEU 90 Cb 0.66 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3gi7 h LEU 90 CO 0.05 0.82 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.78 3gi7 h ARG 91 N 0.73 -0.03 -0.61 1.25 2.43 -0.66 0.26 114.38 117.76 3gi7 h ARG 91 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3gi7 h ARG 91 Cb 0.34 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3gi7 h ARG 91 CO 0.00 -0.02 0.39 0.22 -1.51 0.00 0.00 179.97 179.05 3gi7 h ASP 92 N -0.03 0.72 -0.31 -3.80 1.82 -1.25 -0.87 116.42 112.70 3gi7 h ASP 92 Ca 0.15 -0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.66 3gi7 h ASP 92 Cb 0.25 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 3gi7 h ASP 92 CO -0.32 0.54 -0.17 0.00 -1.61 0.00 0.00 179.24 177.68 3gi7 h ALA 93 N 1.21 0.43 -0.34 -0.78 0.00 -0.50 -1.64 119.26 117.63 3gi7 h ALA 93 Ca 0.22 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3gi7 h ALA 93 Cb -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3gi7 h ALA 93 CO -0.05 0.35 -0.32 -0.44 0.00 0.00 0.00 179.25 178.80 3gi7 h ASP 94 N 0.41 0.78 0.07 0.00 3.32 -0.39 -2.74 116.42 117.87 3gi7 h ASP 94 Ca 0.06 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 3gi7 h ASP 94 Cb 0.71 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3gi7 h ASP 94 CO 0.05 1.03 -0.16 0.00 -1.72 0.00 0.00 179.24 178.44 3gi7 h LYS 96 N 0.19 0.70 0.12 0.00 1.57 -1.06 -1.05 116.57 117.05 3gi7 h LYS 96 Ca 0.04 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3gi7 h LYS 96 Cb 0.40 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3gi7 h LYS 96 CO 0.03 0.77 -0.06 0.28 -0.57 0.00 0.00 179.45 179.90 3gi7 h VAL 97 N 0.64 1.04 -0.28 0.50 2.07 -1.15 -3.02 116.25 116.05 3gi7 h VAL 97 Ca 0.12 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3gi7 h VAL 97 Cb 0.52 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3gi7 h VAL 97 CO 0.03 0.18 0.09 -0.33 0.02 0.00 0.00 177.57 177.56 3gi7 h GLU 98 N -0.52 0.39 -0.59 1.57 5.08 -0.79 -1.82 114.58 117.91 3gi7 h GLU 98 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3gi7 h GLU 98 Cb 0.42 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3gi7 h GLU 98 CO 0.03 0.34 0.00 0.25 -1.00 0.00 0.00 179.01 178.63 3gi7 n THR 99 N -4.40 1.11 0.16 1.13 -2.24 -0.41 -4.56 114.28 105.06 3gi7 n THR 99 Ca 0.01 -0.81 0.14 0.00 -2.27 0.00 0.00 64.05 61.13 3gi7 n THR 99 Cb 0.14 0.14 0.71 0.00 -2.10 0.00 0.00 70.33 69.22 3gi7 n THR 99 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 3gi7 h HIS 100 N 3.06 0.00 -0.00 4.78 2.07 -1.19 -1.53 115.15 122.34 3gi7 h HIS 100 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3gi7 h HIS 100 Cb 0.98 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.96 3gi7 h HIS 100 CO 0.49 0.00 -0.07 0.00 -3.07 0.00 0.00 177.93 175.29 3gi7 n ALA 101 N -2.53 2.69 -2.95 6.11 0.00 -1.26 -4.87 120.51 117.70 3gi7 n ALA 101 Ca 0.02 -0.25 -0.23 0.00 0.00 0.00 0.00 53.44 52.99 3gi7 n ALA 101 Cb 0.32 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 3gi7 n ALA 101 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gi7 s GLU 102 N -2.39 3.39 -0.29 0.00 0.41 -0.58 -5.07 118.70 114.18 3gi7 s GLU 102 Ca 0.32 -0.72 -0.24 0.00 -0.41 0.00 0.00 54.97 53.92 3gi7 s GLU 102 Cb 0.20 -2.89 -0.00 0.00 -1.78 0.00 0.00 34.13 29.66 3gi7 s GLU 102 CO 0.45 0.46 0.81 1.14 -0.49 0.00 0.00 175.26 177.63 3gi7 s GLN 103 N -3.67 4.02 0.51 1.61 -2.07 -1.26 -4.96 119.66 113.84 3gi7 s GLN 103 Ca 0.34 0.69 -0.23 0.00 -1.82 0.00 0.00 55.36 54.34 3gi7 s GLN 103 Cb -0.10 -3.71 -0.06 0.00 -1.09 0.00 0.00 33.01 28.05 3gi7 s GLN 103 CO 0.28 -0.65 1.32 -2.30 -1.32 0.00 0.00 175.29 172.62 3gi7 n PRO 104 N 6.19 1.76 0.00 9.60 -0.02 -1.26 -1.58 135.00 149.69 3gi7 n PRO 104 Ca 0.04 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3gi7 n PRO 104 Cb 0.48 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3gi7 n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gi7 n GLY 105 N 0.79 2.67 3.84 -1.23 0.00 -1.26 -5.02 105.19 104.97 3gi7 n GLY 105 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3gi7 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gi7 s SER 106 N -2.74 6.20 0.19 1.61 1.04 -0.62 -4.95 113.70 114.43 3gi7 s SER 106 Ca 0.00 1.59 -0.11 0.00 0.48 0.00 0.00 55.95 57.92 3gi7 s SER 106 Cb 0.00 -2.50 0.12 0.00 0.10 0.00 0.00 66.02 63.74 3gi7 s SER 106 CO 0.00 -0.88 1.81 0.78 0.98 0.00 0.00 173.24 175.92 3gi7 h ASN 107 N 0.32 0.88 -0.43 7.02 2.35 -1.95 -1.79 115.58 121.98 3gi7 h ASN 107 Ca -0.46 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.22 3gi7 h ASN 107 Cb 1.20 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.31 3gi7 h ASN 107 CO 0.60 0.73 0.24 0.00 -1.65 0.00 0.00 177.43 177.35 3gi7 h ALA 108 N 1.18 0.54 -0.49 -0.83 0.00 -1.94 -0.78 119.26 116.95 3gi7 h ALA 108 Ca 0.24 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3gi7 h ALA 108 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3gi7 h ALA 108 CO -0.04 -0.10 0.28 -0.92 0.00 0.00 0.00 179.25 178.47 3gi7 h TYR 109 N 0.48 0.52 -0.58 0.00 5.03 -1.72 -1.92 116.97 118.77 3gi7 h TYR 109 Ca 0.18 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.41 3gi7 h TYR 109 Cb 0.05 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.14 3gi7 h TYR 109 CO -0.08 0.29 -0.02 0.37 -1.32 0.00 0.00 178.16 177.39 3gi7 h GLN 110 N 0.56 1.04 -0.40 1.82 5.75 -0.79 0.36 115.11 123.45 3gi7 h GLN 110 Ca 0.20 -0.34 0.04 0.00 -0.15 0.00 0.00 58.65 58.40 3gi7 h GLN 110 Cb 0.04 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.47 3gi7 h GLN 110 CO -0.10 1.03 0.18 0.82 -2.65 0.00 0.00 178.83 178.10 3gi7 h ILE 111 N 0.94 0.94 -0.52 2.39 2.04 -1.03 0.50 117.51 122.77 3gi7 h ILE 111 Ca 0.16 -0.13 -0.11 0.00 1.00 0.00 0.00 64.86 65.78 3gi7 h ILE 111 Cb 0.58 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3gi7 h ILE 111 CO 0.03 0.07 -0.13 0.00 0.00 0.00 0.00 178.15 178.12 3gi7 h ALA 112 N 1.23 0.79 0.04 1.87 0.00 -0.87 -1.07 119.26 121.24 3gi7 h ALA 112 Ca 0.17 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3gi7 h ALA 112 Cb 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gi7 h ALA 112 CO -0.14 0.67 -0.02 2.35 0.00 0.00 0.00 179.25 182.10 3gi7 h TRP 113 N 0.88 -0.05 -0.74 0.00 2.91 -0.04 -1.61 115.95 117.30 3gi7 h TRP 113 Ca 0.13 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.16 3gi7 h TRP 113 Cb 0.69 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.32 3gi7 h TRP 113 CO 0.04 0.13 0.49 -0.91 -1.03 0.00 0.00 178.44 177.16 3gi7 h ASN 114 N -0.22 0.84 -0.48 2.65 2.35 -0.74 -0.55 115.58 119.43 3gi7 h ASN 114 Ca -0.01 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3gi7 h ASN 114 Cb 0.20 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3gi7 h ASN 114 CO 0.01 0.61 0.30 0.28 -1.65 0.00 0.00 177.43 176.98 3gi7 h SER 115 N 0.99 0.56 -0.19 5.81 0.02 -1.08 0.17 113.55 119.83 3gi7 h SER 115 Ca 0.27 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3gi7 h SER 115 Cb -0.11 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3gi7 h SER 115 CO -0.06 0.43 0.10 0.00 -1.14 0.00 0.00 176.83 176.16 3gi7 h ILE 117 N 0.20 1.15 -0.39 0.00 1.08 -0.96 -0.34 117.51 118.24 3gi7 h ILE 117 Ca 0.07 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3gi7 h ILE 117 Cb 0.09 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 3gi7 h ILE 117 CO -0.01 0.16 0.25 0.00 -0.69 0.00 0.00 178.15 177.86 3gi7 h ALA 118 N 1.24 0.50 -0.16 1.87 0.00 -0.79 0.34 119.26 122.25 3gi7 h ALA 118 Ca 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3gi7 h ALA 118 Cb -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3gi7 h ALA 118 CO -0.06 -0.04 0.05 1.96 0.00 0.00 0.00 179.25 181.16 3gi7 h GLN 119 N 0.53 0.26 -0.75 0.00 4.20 -1.08 -1.07 115.11 117.20 3gi7 h GLN 119 Ca 0.14 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3gi7 h GLN 119 Cb -0.05 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 3gi7 h GLN 119 CO -0.03 0.39 0.44 0.00 -0.67 0.00 0.00 178.83 178.96 3gi7 h ARG 120 N 0.08 1.02 -0.62 1.46 2.47 -0.95 -1.54 114.38 116.30 3gi7 h ARG 120 Ca 0.05 -0.09 -0.05 0.00 -1.26 0.00 0.00 59.98 58.63 3gi7 h ARG 120 Cb 0.25 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 3gi7 h ARG 120 CO -0.00 0.72 0.19 0.77 0.56 0.00 0.00 179.97 182.22 3gi7 h SER 121 N 1.03 0.90 -0.81 7.04 0.02 -0.72 -1.00 113.55 120.02 3gi7 h SER 121 Ca 0.27 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3gi7 h SER 121 Cb -0.02 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 3gi7 h SER 121 CO -0.05 0.87 0.34 0.44 -1.14 0.00 0.00 176.83 177.29 3gi7 h ASP 122 N 0.88 1.09 -0.33 3.07 3.32 -0.79 0.76 116.42 124.43 3gi7 h ASP 122 Ca 0.20 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3gi7 h ASP 122 Cb 0.29 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3gi7 h ASP 122 CO -0.01 0.95 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.31 3gi7 h GLU 123 N 1.16 0.63 -0.65 3.56 4.81 -1.07 -1.78 114.58 121.24 3gi7 h GLU 123 Ca 0.27 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 3gi7 h GLU 123 Cb 0.18 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3gi7 h GLU 123 CO -0.03 0.81 0.15 -0.09 -0.73 0.00 0.00 179.01 179.12 3gi7 h ARG 124 N 0.42 1.04 -0.69 1.92 9.65 -0.84 -2.05 114.38 123.82 3gi7 h ARG 124 Ca 0.08 -0.24 -0.04 0.00 -1.10 0.00 0.00 59.98 58.68 3gi7 h ARG 124 Cb 0.57 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 3gi7 h ARG 124 CO 0.03 0.93 0.27 0.00 2.80 0.00 0.00 179.97 184.00 3gi7 h ALA 125 N 1.17 0.90 -0.46 2.80 0.00 -0.63 -0.29 119.26 122.75 3gi7 h ALA 125 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gi7 h ALA 125 Cb 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3gi7 h ALA 125 CO 0.00 0.52 0.24 1.49 0.00 0.00 0.00 179.25 181.51 3gi7 h GLU 126 N 0.98 0.64 -0.16 0.00 4.81 -1.15 -0.89 114.58 118.81 3gi7 h GLU 126 Ca 0.23 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3gi7 h GLU 126 Cb 0.21 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3gi7 h GLU 126 CO -0.02 0.52 0.09 -0.92 -0.73 0.00 0.00 179.01 177.95 3gi7 h TYR 127 N 0.60 0.22 -0.60 0.92 3.20 -0.86 -1.52 116.97 118.93 3gi7 h TYR 127 Ca 0.16 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3gi7 h TYR 127 Cb 0.07 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 3gi7 h TYR 127 CO -0.02 0.23 0.24 -0.07 -1.64 0.00 0.00 178.16 176.90 3gi7 h LEU 128 N 0.16 0.80 -1.77 2.82 3.38 -0.93 -1.36 115.31 118.40 3gi7 h LEU 128 Ca 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3gi7 h LEU 128 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3gi7 h LEU 128 CO -0.01 0.72 0.06 0.03 0.09 0.00 0.00 178.44 179.33 3gi7 h ARG 129 N 0.86 0.21 0.00 1.13 3.08 -0.91 -2.38 114.38 116.37 3gi7 h ARG 129 Ca 0.20 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3gi7 h ARG 129 Cb 0.17 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3gi7 h ARG 129 CO -0.02 0.18 0.00 0.66 -1.07 0.00 0.00 179.97 179.72 3gi7 h SER 130 N 0.22 0.00 -4.11 7.04 4.64 -0.20 -3.46 113.55 117.68 3gi7 h SER 130 Ca 0.06 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.90 3gi7 h SER 130 Cb 0.05 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3gi7 h SER 130 CO -0.01 0.00 0.33 -0.76 -0.87 0.00 0.00 176.83 175.52 3gi7 s LEU 131 N -5.74 3.65 -1.49 5.97 1.43 -0.90 -4.16 118.68 117.45 3gi7 s LEU 131 Ca 0.05 1.49 -0.07 0.00 -1.03 0.00 0.00 54.13 54.57 3gi7 s LEU 131 Cb 0.08 -4.42 0.05 0.00 0.03 0.00 0.00 46.19 41.93 3gi7 s LEU 131 CO 0.59 -0.56 0.65 0.61 0.23 0.00 0.00 176.35 177.87 3gi7 n GLY 132 N -1.55 -0.34 0.06 -3.19 0.00 -1.26 -4.92 105.19 94.00 3gi7 n GLY 132 Ca 0.06 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3gi7 n GLY 132 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gi7 n SER 133 N -2.89 0.73 0.00 1.61 3.41 -1.26 -5.00 113.62 110.22 3gi7 n SER 133 Ca -0.15 -0.52 0.14 0.00 -0.26 0.00 0.00 58.87 58.08 3gi7 n SER 133 Cb 0.61 0.35 0.84 0.00 -0.26 0.00 0.00 64.21 65.74 3gi7 n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88