#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1x s ARG 2 N 0.00 1.34 -0.29 0.03 3.52 0.18 -4.85 118.95 118.89 1g1x s ARG 2 Ca 0.00 -1.16 -0.12 0.00 -0.13 0.00 0.00 55.73 54.33 1g1x s ARG 2 Cb 0.00 0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 33.78 1g1x s ARG 2 CO 0.00 -0.53 0.22 0.50 -0.81 0.00 0.00 175.30 174.67 1g1x s ARG 3 N -3.97 3.86 0.37 5.12 3.52 -1.26 -1.55 118.95 125.04 1g1x s ARG 3 Ca 0.18 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.47 1g1x s ARG 3 Cb 0.01 -3.69 -0.06 0.00 -1.56 0.00 0.00 34.95 29.66 1g1x s ARG 3 CO 0.03 -0.24 0.06 0.71 -0.81 0.00 0.00 175.30 175.04 1g1x s TYR 4 N 1.78 2.02 -0.07 5.12 2.02 -1.21 0.61 117.35 127.62 1g1x s TYR 4 Ca 0.08 -0.96 0.03 0.00 -0.37 0.00 0.00 57.07 55.84 1g1x s TYR 4 Cb -0.16 -1.37 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1g1x s TYR 4 CO 0.11 0.05 -0.14 -1.21 -1.57 0.00 0.00 175.55 172.79 1g1x s GLU 5 N -3.83 1.88 -0.16 -0.62 2.02 0.12 -2.74 118.70 115.37 1g1x s GLU 5 Ca 0.32 -0.49 -0.22 0.00 0.02 0.00 0.00 54.97 54.60 1g1x s GLU 5 Cb 0.07 -1.53 -0.19 0.00 0.10 0.00 0.00 34.13 32.58 1g1x s GLU 5 CO 0.15 0.07 0.41 0.28 0.02 0.00 0.00 175.26 176.18 1g1x h VAL 6 N 5.87 1.14 -4.36 2.63 2.07 -0.62 -1.39 116.25 121.59 1g1x h VAL 6 Ca -0.29 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1g1x h VAL 6 Cb 1.19 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1g1x h VAL 6 CO 0.47 0.39 -0.95 0.59 0.02 0.00 0.00 177.57 178.09 1g1x n ASN 7 N -4.57 -8.98 -3.73 0.57 3.02 -0.11 -3.42 115.26 98.05 1g1x n ASN 7 Ca -0.16 1.40 -0.12 0.00 -0.03 0.00 0.00 54.58 55.67 1g1x n ASN 7 Cb 0.48 -5.07 -0.11 0.00 -0.61 0.00 0.00 39.78 34.47 1g1x n ASN 7 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1g1x s ILE 8 N -0.52 -0.02 -0.21 2.41 1.01 -1.23 -2.74 121.20 119.90 1g1x s ILE 8 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 1g1x s ILE 8 Cb 0.00 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.97 1g1x s ILE 8 CO 0.00 0.03 -0.04 -0.69 0.00 0.00 0.00 174.94 174.24 1g1x s VAL 9 N 0.89 3.47 0.08 2.92 1.01 -0.16 -0.20 120.40 128.41 1g1x s VAL 9 Ca -0.06 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.54 1g1x s VAL 9 Cb -0.07 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1g1x s VAL 9 CO -0.07 0.43 -0.19 -0.22 0.00 0.00 0.00 175.10 175.06 1g1x s LEU 10 N 1.30 2.61 0.05 3.92 2.96 -0.31 -2.30 118.68 126.90 1g1x s LEU 10 Ca 0.04 -0.51 -0.38 0.00 -0.22 0.00 0.00 54.13 53.06 1g1x s LEU 10 Cb -0.14 -1.50 -0.17 0.00 0.50 0.00 0.00 46.19 44.87 1g1x s LEU 10 CO -0.01 0.22 1.32 -3.20 -1.32 0.00 0.00 176.35 173.35 1g1x n ASN 11 N 1.22 1.41 0.16 3.68 5.15 0.75 -1.65 115.26 125.97 1g1x n ASN 11 Ca -0.16 1.12 0.04 0.00 -0.60 0.00 0.00 54.58 54.98 1g1x n ASN 11 Cb 0.52 -1.14 0.20 0.00 -0.53 0.00 0.00 39.78 38.83 1g1x n ASN 11 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1g1x h PRO 12 N 4.43 0.00 -1.05 1.20 0.13 -1.91 -3.37 132.00 131.43 1g1x h PRO 12 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 1g1x h PRO 12 Cb 1.35 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 1g1x h PRO 12 CO 0.77 0.45 0.13 0.09 -0.23 0.00 0.00 178.00 179.20 1g1x n ASN 13 N -3.39 3.32 -2.50 1.44 3.02 -1.26 -4.91 115.26 110.99 1g1x n ASN 13 Ca 0.01 -2.33 -0.05 0.00 -0.03 0.00 0.00 54.58 52.17 1g1x n ASN 13 Cb 0.62 -0.60 0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1g1x n ASN 13 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1g1x n LEU 14 N 0.24 0.00 -4.39 3.41 4.32 -1.26 -5.11 117.00 114.21 1g1x n LEU 14 Ca 0.12 -0.40 -0.21 0.00 -0.02 0.00 0.00 56.01 55.50 1g1x n LEU 14 Cb 0.71 -0.16 -0.10 0.00 -1.62 0.00 0.00 43.42 42.25 1g1x n LEU 14 CO 0.12 -0.64 -0.46 1.51 -1.22 0.00 0.00 177.39 176.71 1g1x s ASP 15 N -1.92 2.95 0.13 -1.43 1.47 -1.26 -4.90 116.67 111.71 1g1x s ASP 15 Ca 0.15 -1.02 -0.07 0.00 1.18 0.00 0.00 52.55 52.79 1g1x s ASP 15 Cb -0.01 -0.20 0.17 0.00 -0.34 0.00 0.00 42.92 42.54 1g1x s ASP 15 CO 0.10 -0.09 0.81 0.00 0.68 0.00 0.00 175.17 176.67 1g1x n GLN 16 N -0.44 -0.09 -0.07 2.11 1.13 -1.26 0.07 117.38 118.82 1g1x n GLN 16 Ca -0.07 0.81 -0.14 0.00 -1.94 0.00 0.00 57.00 55.66 1g1x n GLN 16 Cb 0.60 -1.20 -0.05 0.00 0.11 0.00 0.00 30.24 29.70 1g1x n GLN 16 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1g1x h SER 17 N 0.00 0.75 0.50 1.08 0.02 -1.98 0.01 113.55 113.93 1g1x h SER 17 Ca 0.21 -0.52 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1g1x h SER 17 Cb 0.34 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1g1x h SER 17 CO -0.53 1.12 -0.24 1.56 -1.14 0.00 0.00 176.83 177.61 1g1x h GLN 18 N 0.40 -0.65 -0.56 3.45 4.20 -1.03 -1.21 115.11 119.71 1g1x h GLN 18 Ca 0.02 0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.89 1g1x h GLN 18 Cb 0.97 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 28.80 1g1x h GLN 18 CO 0.09 -0.36 -0.00 1.25 -0.67 0.00 0.00 178.83 179.14 1g1x h LEU 19 N -0.85 -0.24 -1.47 1.46 6.46 -0.43 0.19 115.31 120.43 1g1x h LEU 19 Ca -0.07 0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1g1x h LEU 19 Cb 0.59 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 1g1x h LEU 19 CO 0.11 -0.09 0.17 0.00 -0.62 0.00 0.00 178.44 178.01 1g1x h ALA 20 N 1.50 1.59 0.37 1.25 0.00 -0.90 -2.15 119.26 120.92 1g1x h ALA 20 Ca 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1g1x h ALA 20 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1g1x h ALA 20 CO -0.47 0.33 -0.18 1.25 0.00 0.00 0.00 179.25 180.18 1g1x h LEU 21 N 0.53 -0.42 -0.64 0.00 5.85 0.60 -0.60 115.31 120.63 1g1x h LEU 21 Ca 0.13 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.84 1g1x h LEU 21 Cb 0.08 0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.10 1g1x h LEU 21 CO -0.02 -0.05 -0.16 -0.33 -0.34 0.00 0.00 178.44 177.54 1g1x h GLU 22 N -0.83 -0.00 -0.41 1.25 4.39 -1.00 0.68 114.58 118.65 1g1x h GLU 22 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1g1x h GLU 22 Cb 0.53 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1g1x h GLU 22 CO 0.08 -0.00 0.26 0.87 -1.16 0.00 0.00 179.01 179.06 1g1x h LYS 23 N -0.00 0.55 -0.06 2.33 1.57 -1.33 0.11 116.57 119.74 1g1x h LYS 23 Ca 0.31 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.93 1g1x h LYS 23 Cb 0.47 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1g1x h LYS 23 CO -0.66 0.37 -0.52 1.49 -0.57 0.00 0.00 179.45 179.57 1g1x h GLU 24 N 0.56 0.15 0.30 3.15 4.81 0.18 -2.71 114.58 121.03 1g1x h GLU 24 Ca 0.15 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1g1x h GLU 24 Cb -0.04 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1g1x h GLU 24 CO -0.03 0.64 -0.14 0.82 -0.73 0.00 0.00 179.01 179.57 1g1x h ILE 25 N 0.12 0.65 -1.07 2.32 2.04 0.12 -3.08 117.51 118.62 1g1x h ILE 25 Ca 0.00 -0.72 0.29 0.00 1.00 0.00 0.00 64.86 65.43 1g1x h ILE 25 Cb 0.96 0.98 -0.10 0.00 -0.74 0.00 0.00 36.82 37.92 1g1x h ILE 25 CO 0.08 0.13 0.68 0.40 0.00 0.00 0.00 178.15 179.43 1g1x h ILE 26 N -0.84 0.46 -0.01 -0.67 2.04 -0.83 -1.56 117.51 116.11 1g1x h ILE 26 Ca -0.04 -0.13 -0.18 0.00 1.00 0.00 0.00 64.86 65.51 1g1x h ILE 26 Cb 0.52 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1g1x h ILE 26 CO 0.07 0.07 -0.82 1.56 0.00 0.00 0.00 178.15 179.03 1g1x h GLN 27 N 0.37 0.16 -0.21 2.37 1.08 -1.46 0.82 115.11 118.23 1g1x h GLN 27 Ca 0.64 -0.16 -0.19 0.00 -1.45 0.00 0.00 58.65 57.48 1g1x h GLN 27 Cb 1.62 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.09 1g1x h GLN 27 CO -0.35 0.89 -0.64 0.00 -0.95 0.00 0.00 178.83 177.78 1g1x h ARG 28 N 0.09 0.75 0.00 1.46 3.08 -1.23 0.17 114.38 118.71 1g1x h ARG 28 Ca -0.03 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.49 1g1x h ARG 28 Cb 1.42 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.56 1g1x h ARG 28 CO 0.12 1.16 0.00 0.00 -1.07 0.00 0.00 179.97 180.18 1g1x n ALA 29 N -2.57 -0.33 -0.28 0.04 0.00 -0.68 0.26 120.51 116.95 1g1x n ALA 29 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1g1x n ALA 29 Cb 0.67 0.08 0.16 0.00 0.00 0.00 0.00 19.45 20.37 1g1x n ALA 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1g1x n LEU 30 N -1.85 -0.20 0.20 0.00 4.77 0.27 -0.11 117.00 120.07 1g1x n LEU 30 Ca 0.00 1.36 -0.14 0.00 -0.03 0.00 0.00 56.01 57.20 1g1x n LEU 30 Cb 0.00 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 40.56 1g1x n LEU 30 CO 0.00 -1.33 0.54 -0.08 -1.33 0.00 0.00 177.39 175.19 1g1x h GLU 31 N 0.00 -0.50 -0.75 3.23 4.81 -0.30 0.16 114.58 121.24 1g1x h GLU 31 Ca 0.42 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.86 1g1x h GLU 31 Cb 0.76 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 30.13 1g1x h GLU 31 CO -0.79 -0.19 0.10 -0.91 -0.73 0.00 0.00 179.01 176.49 1g1x h ASN 32 N -0.81 -0.16 -0.06 1.04 -0.26 0.70 0.24 115.58 116.26 1g1x h ASN 32 Ca -0.05 0.17 -0.03 0.00 -0.56 0.00 0.00 56.30 55.83 1g1x h ASN 32 Cb 0.53 0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 38.05 1g1x h ASN 32 CO 0.09 -0.12 0.03 -1.22 -1.06 0.00 0.00 177.43 175.15 1g1x n TYR 33 N -5.25 0.20 -1.29 1.19 4.02 -0.41 -4.83 117.16 110.78 1g1x n TYR 33 Ca 0.14 -0.42 -0.10 0.00 -0.01 0.00 0.00 57.90 57.51 1g1x n TYR 33 Cb 0.48 -0.25 -0.04 0.00 -0.02 0.00 0.00 39.34 39.51 1g1x n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1g1x n GLY 34 N 0.27 1.07 3.70 2.72 0.00 0.84 -4.62 105.19 109.18 1g1x n GLY 34 Ca 0.04 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1g1x n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g1x s ALA 35 N -2.11 3.37 -0.27 4.61 0.00 0.56 -4.54 121.76 123.39 1g1x s ALA 35 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.03 1g1x s ALA 35 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 1g1x s ALA 35 CO 0.00 -0.35 0.17 0.50 0.00 0.00 0.00 175.76 176.08 1g1x s ARG 36 N 1.39 3.96 -0.12 0.00 3.52 -0.31 -4.10 118.95 123.29 1g1x s ARG 36 Ca 0.41 -0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.39 1g1x s ARG 36 Cb -0.18 -3.61 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 1g1x s ARG 36 CO 0.18 -0.12 1.14 0.08 -0.81 0.00 0.00 175.30 175.77 1g1x s VAL 37 N 1.58 4.46 -0.09 7.11 1.01 -1.26 -0.65 120.40 132.55 1g1x s VAL 37 Ca 0.07 1.76 -0.13 0.00 0.00 0.00 0.00 61.98 63.68 1g1x s VAL 37 Cb -0.15 -4.13 -0.28 0.00 0.00 0.00 0.00 36.38 31.81 1g1x s VAL 37 CO 0.09 -0.06 0.56 -0.33 0.00 0.00 0.00 175.10 175.36 1g1x h GLU 38 N 7.52 0.29 -1.82 2.72 5.08 0.97 -3.48 114.58 125.87 1g1x h GLU 38 Ca -0.29 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.57 1g1x h GLU 38 Cb 1.13 0.19 -0.22 0.00 0.50 0.00 0.00 28.75 30.34 1g1x h GLU 38 CO 0.91 1.24 0.31 -1.59 -1.00 0.00 0.00 179.01 178.87 1g1x s LYS 39 N -2.52 0.76 0.03 2.33 -2.85 -0.85 -4.95 119.74 111.69 1g1x s LYS 39 Ca -0.19 0.56 0.06 0.00 -1.00 0.00 0.00 55.97 55.39 1g1x s LYS 39 Cb 0.05 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 1g1x s LYS 39 CO 0.79 -0.16 -0.14 0.14 0.10 0.00 0.00 175.35 176.07 1g1x s VAL 40 N -0.32 3.05 -0.01 1.79 -7.23 -1.26 0.58 120.40 117.00 1g1x s VAL 40 Ca -0.02 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.12 1g1x s VAL 40 Cb -0.03 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 1g1x s VAL 40 CO 0.01 0.35 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.36 1g1x s GLU 41 N -1.44 0.81 -0.49 4.82 2.12 -1.26 -4.85 118.70 118.41 1g1x s GLU 41 Ca 0.15 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.16 1g1x s GLU 41 Cb -0.11 -0.78 0.17 0.00 0.26 0.00 0.00 34.13 33.67 1g1x s GLU 41 CO 0.06 0.21 0.37 -2.00 -0.54 0.00 0.00 175.26 173.37 1g1x s GLU 42 N -0.24 1.34 0.00 4.30 2.12 -1.26 -2.82 118.70 122.13 1g1x s GLU 42 Ca 0.04 -2.42 0.17 0.00 0.36 0.00 0.00 54.97 53.11 1g1x s GLU 42 Cb -0.04 -2.01 0.73 0.00 0.26 0.00 0.00 34.13 33.08 1g1x s GLU 42 CO -0.00 -1.34 1.53 -0.11 -0.54 0.00 0.00 175.26 174.79 1g1x n LEU 43 N 2.67 0.00 0.00 2.70 -0.00 -0.87 -4.97 117.00 116.54 1g1x n LEU 43 Ca 0.26 0.47 0.00 0.00 -0.00 0.00 0.00 56.01 56.73 1g1x n LEU 43 Cb 0.43 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 1g1x n LEU 43 CO 0.14 -0.20 0.00 0.61 -0.00 0.00 0.00 177.39 177.94 1g1x n GLY 44 N 0.21 0.80 3.17 -3.96 0.00 -0.92 -4.77 105.19 99.71 1g1x n GLY 44 Ca 0.05 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1g1x n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1g1x n LEU 45 N 0.00 -2.84 -3.67 0.99 4.32 -1.21 -1.98 117.00 112.62 1g1x n LEU 45 Ca 0.00 0.77 -0.14 0.00 -0.02 0.00 0.00 56.01 56.61 1g1x n LEU 45 Cb 0.00 -0.84 -0.08 0.00 -1.62 0.00 0.00 43.42 40.87 1g1x n LEU 45 CO 0.00 -4.09 0.26 -0.60 -1.22 0.00 0.00 177.39 171.73 1g1x s ARG 46 N -0.96 0.71 0.66 3.23 3.52 0.01 -4.83 118.95 121.29 1g1x s ARG 46 Ca 0.57 0.63 0.33 0.00 -0.13 0.00 0.00 55.73 57.13 1g1x s ARG 46 Cb -0.60 0.34 1.83 0.00 -1.56 0.00 0.00 34.95 34.96 1g1x s ARG 46 CO 0.61 -0.12 2.05 0.00 -0.81 0.00 0.00 175.30 177.02 1g1x h ARG 47 N 4.83 0.00 0.00 5.12 3.08 -1.88 -2.94 114.38 122.59 1g1x h ARG 47 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1g1x h ARG 47 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1g1x h ARG 47 CO 0.20 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.38 1g1x n LEU 48 N -3.05 0.00 0.00 3.04 4.77 -1.26 -4.37 117.00 116.13 1g1x n LEU 48 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1g1x n LEU 48 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1g1x n LEU 48 CO 0.17 -0.83 0.00 0.00 -1.33 0.00 0.00 177.39 175.39 1g1x n ALA 49 N 0.19 0.00 -3.41 -1.18 0.00 -1.26 -5.07 120.51 109.79 1g1x n ALA 49 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1g1x n ALA 49 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1g1x n ALA 49 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1g1x s TYR 50 N 0.00 -0.48 0.10 0.00 1.13 -1.26 -5.14 117.35 111.70 1g1x s TYR 50 Ca 0.00 0.78 -0.31 0.00 -1.41 0.00 0.00 57.07 56.13 1g1x s TYR 50 Cb 0.00 0.30 -0.09 0.00 -1.10 0.00 0.00 41.96 41.07 1g1x s TYR 50 CO 0.00 -0.55 1.70 -1.25 -2.51 0.00 0.00 175.55 172.94 1g1x s PRO 51 N -1.39 4.18 -0.23 -3.49 0.04 -1.26 -4.92 135.00 127.92 1g1x s PRO 51 Ca -0.11 2.42 -0.00 0.00 0.04 0.00 0.00 61.00 63.35 1g1x s PRO 51 Cb -0.02 -3.54 0.03 0.00 0.04 0.00 0.00 34.50 31.02 1g1x s PRO 51 CO 0.07 -0.76 -0.11 0.42 0.04 0.00 0.00 177.00 176.66 1g1x s ILE 52 N 2.47 2.53 -1.45 0.56 1.01 -0.96 -4.56 121.20 120.81 1g1x s ILE 52 Ca 0.76 -1.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 1g1x s ILE 52 Cb -0.42 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1g1x s ILE 52 CO 0.33 0.27 0.33 0.00 0.00 0.00 0.00 174.94 175.87 1g1x n ALA 53 N 4.62 -0.73 0.00 9.38 0.00 -1.26 -2.77 120.51 129.74 1g1x n ALA 53 Ca -0.17 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1g1x n ALA 53 Cb 0.47 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.99 1g1x n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1g1x n LYS 54 N -3.30 0.00 -1.67 0.00 4.76 -1.26 -4.94 118.16 111.74 1g1x n LYS 54 Ca -0.15 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 54.85 1g1x n LYS 54 Cb 0.63 -0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.80 1g1x n LYS 54 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1g1x n ASP 55 N 2.67 2.70 -2.13 4.39 8.00 -1.12 -4.84 116.55 126.22 1g1x n ASP 55 Ca 0.00 1.16 -0.21 0.00 0.71 0.00 0.00 54.79 56.45 1g1x n ASP 55 Cb 0.00 -1.44 0.18 0.00 -0.02 0.00 0.00 41.12 39.84 1g1x n ASP 55 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1g1x n PRO 56 N 1.59 2.31 -3.64 -0.24 -0.04 -1.26 -2.26 135.00 131.47 1g1x n PRO 56 Ca 0.10 -2.83 -0.13 0.00 -0.04 0.00 0.00 63.50 60.60 1g1x n PRO 56 Cb 0.33 -2.11 -0.07 0.00 -0.04 0.00 0.00 33.50 31.60 1g1x n PRO 56 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1g1x s GLN 57 N -3.07 0.80 0.19 0.54 0.74 -1.26 -4.24 119.66 113.37 1g1x s GLN 57 Ca 0.53 1.01 0.04 0.00 0.05 0.00 0.00 55.36 56.99 1g1x s GLN 57 Cb 0.45 0.37 -0.05 0.00 1.10 0.00 0.00 33.01 34.87 1g1x s GLN 57 CO 0.11 -0.10 -0.04 0.20 -0.55 0.00 0.00 175.29 174.90 1g1x s GLY 58 N 0.53 1.32 -0.38 2.59 0.00 -1.11 -4.37 107.32 105.90 1g1x s GLY 58 Ca -0.01 -1.64 -0.12 0.00 0.00 0.00 0.00 44.72 42.95 1g1x s GLY 58 CO -0.02 -1.61 0.23 -0.47 0.00 0.00 0.00 173.10 171.23 1g1x s TYR 59 N -3.43 3.24 -0.21 1.90 5.04 -0.66 -0.81 117.35 122.42 1g1x s TYR 59 Ca 0.23 -0.85 -0.20 0.00 -2.44 0.00 0.00 57.07 53.82 1g1x s TYR 59 Cb 0.05 -2.48 -0.03 0.00 0.35 0.00 0.00 41.96 39.85 1g1x s TYR 59 CO 0.05 -0.63 0.59 -0.06 -1.34 0.00 0.00 175.55 174.16 1g1x s PHE 60 N 1.59 3.35 0.00 4.97 0.08 -0.84 -1.17 117.98 125.97 1g1x s PHE 60 Ca 0.03 0.85 0.00 0.00 0.12 0.00 0.00 56.93 57.93 1g1x s PHE 60 Cb -0.19 -2.76 0.00 0.00 -0.57 0.00 0.00 43.02 39.50 1g1x s PHE 60 CO 0.08 -0.18 0.00 1.28 -0.10 0.00 0.00 175.22 176.30 1g1x n LEU 61 N 5.09 0.00 0.00 -0.37 4.77 0.72 -2.05 117.00 125.16 1g1x n LEU 61 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1g1x n LEU 61 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1g1x n LEU 61 CO 0.43 -0.31 0.00 1.87 -1.33 0.00 0.00 177.39 178.05 1g1x n TRP 62 N -0.62 -0.65 -1.89 -1.77 -0.00 -1.13 -3.53 117.44 107.86 1g1x n TRP 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1g1x n TRP 62 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 31.31 31.44 1g1x n TRP 62 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 1g1x n TYR 63 N -1.35 -4.98 -4.30 5.87 4.02 -1.25 -0.93 117.16 114.24 1g1x n TYR 63 Ca 0.00 2.61 -0.33 0.00 -0.01 0.00 0.00 57.90 60.16 1g1x n TYR 63 Cb 0.00 -3.78 -0.15 0.00 -0.02 0.00 0.00 39.34 35.38 1g1x n TYR 63 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1g1x s GLN 64 N -2.48 3.16 0.30 -0.72 0.74 0.20 -1.32 119.66 119.53 1g1x s GLN 64 Ca 0.00 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 54.66 1g1x s GLN 64 Cb 0.00 -2.66 -0.00 0.00 1.10 0.00 0.00 33.01 31.45 1g1x s GLN 64 CO 0.00 -0.10 0.04 1.33 -0.55 0.00 0.00 175.29 176.02 1g1x n VAL 65 N 4.37 0.00 -3.74 1.34 0.24 -1.11 0.14 118.33 119.57 1g1x n VAL 65 Ca -0.20 -1.53 -0.25 0.00 -2.04 0.00 0.00 64.34 60.32 1g1x n VAL 65 Cb 0.51 0.42 -0.17 0.00 -1.47 0.00 0.00 33.84 33.12 1g1x n VAL 65 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1g1x s GLU 66 N -3.10 0.56 0.22 7.34 2.56 0.17 -3.32 118.70 123.13 1g1x s GLU 66 Ca 0.06 -0.12 -0.17 0.00 0.00 0.00 0.00 54.97 54.74 1g1x s GLU 66 Cb 0.00 -1.50 0.02 0.00 2.00 0.00 0.00 34.13 34.65 1g1x s GLU 66 CO 0.04 -0.48 0.55 0.00 -0.56 0.00 0.00 175.26 174.82 1g1x s MET 67 N 1.95 1.48 -0.40 4.30 0.23 -0.60 -1.16 119.30 125.10 1g1x s MET 67 Ca 0.02 -0.94 -0.28 0.00 -1.03 0.00 0.00 55.69 53.46 1g1x s MET 67 Cb -0.15 0.53 -0.02 0.00 -1.53 0.00 0.00 34.83 33.66 1g1x s MET 67 CO -0.07 -0.64 1.84 -2.14 -2.03 0.00 0.00 175.02 171.99 1g1x s PRO 68 N -3.90 3.13 0.46 3.16 0.02 -1.26 0.51 135.00 137.11 1g1x s PRO 68 Ca 0.11 1.25 0.39 0.00 0.02 0.00 0.00 61.00 62.77 1g1x s PRO 68 Cb -0.02 -4.26 1.47 0.00 0.02 0.00 0.00 34.50 31.72 1g1x s PRO 68 CO 0.01 -2.11 1.41 0.39 -0.33 0.00 0.00 177.00 176.36 1g1x n GLU 69 N 8.62 -0.01 0.00 5.54 4.71 -1.26 0.11 120.64 138.34 1g1x n GLU 69 Ca 0.23 1.04 0.09 0.00 -0.01 0.00 0.00 57.16 58.51 1g1x n GLU 69 Cb 0.48 -2.25 0.42 0.00 -1.01 0.00 0.00 31.44 29.08 1g1x n GLU 69 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1g1x n ASP 70 N -4.07 0.00 -0.10 1.62 5.75 -1.26 -2.93 116.55 115.55 1g1x n ASP 70 Ca 0.39 0.26 0.04 0.00 -0.01 0.00 0.00 54.79 55.47 1g1x n ASP 70 Cb 1.65 -0.39 -0.02 0.00 -1.03 0.00 0.00 41.12 41.32 1g1x n ASP 70 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1g1x n ARG 71 N -1.39 3.15 -0.35 0.11 1.74 0.29 -4.63 116.66 115.59 1g1x n ARG 71 Ca 0.06 -0.29 0.07 0.00 -0.77 0.00 0.00 57.85 56.93 1g1x n ARG 71 Cb 0.17 -0.98 0.24 0.00 -1.02 0.00 0.00 32.46 30.87 1g1x n ARG 71 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1g1x h VAL 72 N 0.51 0.89 -0.37 1.55 2.07 -1.56 0.11 116.25 119.45 1g1x h VAL 72 Ca 0.00 -0.32 -0.16 0.00 0.82 0.00 0.00 66.70 67.03 1g1x h VAL 72 Cb 0.26 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1g1x h VAL 72 CO 0.00 0.17 -0.42 0.78 0.02 0.00 0.00 177.57 178.13 1g1x h ASN 73 N 0.93 1.00 -0.43 0.57 2.35 -1.82 -2.17 115.58 116.02 1g1x h ASN 73 Ca 0.49 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1g1x h ASN 73 Cb 0.53 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1g1x h ASN 73 CO -0.28 1.28 0.28 0.44 -1.65 0.00 0.00 177.43 177.50 1g1x h ASP 74 N 0.74 0.49 0.27 5.81 3.32 -1.53 -2.24 116.42 123.29 1g1x h ASP 74 Ca 0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1g1x h ASP 74 Cb 1.01 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 1g1x h ASP 74 CO 0.10 0.36 -0.26 0.25 -1.72 0.00 0.00 179.24 177.97 1g1x h LEU 75 N 0.58 -0.70 -0.85 1.55 5.85 -0.76 -1.27 115.31 119.71 1g1x h LEU 75 Ca 0.16 0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.09 1g1x h LEU 75 Cb -0.06 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.12 1g1x h LEU 75 CO -0.03 -0.38 0.43 0.00 -0.34 0.00 0.00 178.44 178.12 1g1x h ALA 76 N 0.07 1.27 -0.27 1.25 0.00 -1.26 0.38 119.26 120.70 1g1x h ALA 76 Ca -0.01 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1g1x h ALA 76 Cb 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1g1x h ALA 76 CO -0.05 -0.09 0.10 -0.09 0.00 0.00 0.00 179.25 179.11 1g1x h ARG 77 N 0.62 0.22 -0.01 0.00 2.43 -0.92 -1.27 114.38 115.44 1g1x h ARG 77 Ca 0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1g1x h ARG 77 Cb 0.65 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1g1x h ARG 77 CO -0.36 0.14 -0.07 1.49 -1.51 0.00 0.00 179.97 179.66 1g1x h GLU 78 N 0.22 -0.08 -0.81 0.20 4.57 0.18 -2.22 114.58 116.65 1g1x h GLU 78 Ca 0.12 0.01 0.23 0.00 -1.18 0.00 0.00 59.36 58.54 1g1x h GLU 78 Cb 0.08 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1g1x h GLU 78 CO -0.11 -0.05 0.69 -0.07 -1.18 0.00 0.00 179.01 178.28 1g1x h LEU 79 N -0.08 0.00 -0.47 1.64 3.38 -0.92 -1.58 115.31 117.28 1g1x h LEU 79 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1g1x h LEU 79 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1g1x h LEU 79 CO -0.06 0.00 -0.72 0.03 0.09 0.00 0.00 178.44 177.78 1g1x h ARG 80 N 0.00 0.27 0.00 1.13 3.08 -0.60 -3.36 114.38 114.90 1g1x h ARG 80 Ca 0.38 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1g1x h ARG 80 Cb 1.75 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.85 1g1x h ARG 80 CO -0.00 0.88 0.00 -0.89 -1.07 0.00 0.00 179.97 178.89 1g1x n ILE 81 N -3.80 0.00 -1.37 2.04 5.41 -0.59 -4.64 119.36 116.41 1g1x n ILE 81 Ca -0.03 1.20 -0.53 0.00 1.00 0.00 0.00 62.75 64.38 1g1x n ILE 81 Cb 0.70 -1.61 -0.08 0.00 -0.71 0.00 0.00 39.64 37.95 1g1x n ILE 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1g1x n ARG 82 N -2.70 0.00 0.13 0.38 5.12 -1.26 -4.82 116.66 113.51 1g1x n ARG 82 Ca 0.00 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.00 1g1x n ARG 82 Cb 0.00 -1.21 0.44 0.00 -1.16 0.00 0.00 32.46 30.53 1g1x n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1g1x n ASP 83 N 2.79 0.42 0.01 0.55 9.92 -1.26 -1.05 116.55 127.92 1g1x n ASP 83 Ca 0.23 0.68 0.11 0.00 -0.53 0.00 0.00 54.79 55.28 1g1x n ASP 83 Cb -0.02 -0.73 0.02 0.00 -0.64 0.00 0.00 41.12 39.75 1g1x n ASP 83 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1g1x n ASN 84 N -2.07 0.69 -4.47 -2.24 3.02 -1.26 -4.71 115.26 104.23 1g1x n ASN 84 Ca -0.01 -0.48 -0.43 0.00 -0.03 0.00 0.00 54.58 53.63 1g1x n ASN 84 Cb 0.06 0.78 -0.06 0.00 -0.61 0.00 0.00 39.78 39.95 1g1x n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1g1x s VAL 85 N -3.09 4.79 -0.92 2.41 1.01 -0.22 -0.18 120.40 124.19 1g1x s VAL 85 Ca 0.06 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.84 1g1x s VAL 85 Cb 0.16 -4.33 0.29 0.00 0.00 0.00 0.00 36.38 32.50 1g1x s VAL 85 CO 0.80 -0.84 1.23 -2.11 0.00 0.00 0.00 175.10 174.19 1g1x n ARG 86 N 6.39 2.79 -3.39 2.72 1.85 -0.97 -4.82 116.66 121.23 1g1x n ARG 86 Ca -0.05 -2.01 0.02 0.00 -1.00 0.00 0.00 57.85 54.81 1g1x n ARG 86 Cb 0.46 -1.26 -0.04 0.00 -1.05 0.00 0.00 32.46 30.57 1g1x n ARG 86 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1g1x s ARG 87 N -1.00 0.25 -0.06 2.89 6.06 -1.20 -4.97 118.95 120.92 1g1x s ARG 87 Ca 0.22 0.59 -0.00 0.00 -2.50 0.00 0.00 55.73 54.04 1g1x s ARG 87 Cb 0.12 0.33 0.03 0.00 0.06 0.00 0.00 34.95 35.48 1g1x s ARG 87 CO 0.15 -0.08 -0.02 0.08 -2.50 0.00 0.00 175.30 172.93 1g1x s VAL 88 N 2.25 0.44 -0.17 7.11 1.01 -1.26 -0.99 120.40 128.79 1g1x s VAL 88 Ca -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1g1x s VAL 88 Cb -0.05 -0.54 0.06 0.00 0.00 0.00 0.00 36.38 35.85 1g1x s VAL 88 CO -0.17 0.24 0.06 -0.32 0.00 0.00 0.00 175.10 174.91 1g1x s MET 89 N 1.49 0.35 0.09 2.72 0.00 -1.11 -5.05 119.30 117.78 1g1x s MET 89 Ca -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 55.69 55.41 1g1x s MET 89 Cb -0.13 -1.89 -0.05 0.00 0.00 0.00 0.00 34.83 32.76 1g1x s MET 89 CO -0.03 -0.63 0.31 0.08 0.00 0.00 0.00 175.02 174.75 1g1x s VAL 90 N 2.01 5.25 -0.13 10.11 1.01 -1.25 -3.98 120.40 133.42 1g1x s VAL 90 Ca 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 1g1x s VAL 90 Cb -0.16 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1g1x s VAL 90 CO -0.08 0.15 0.35 -0.69 0.00 0.00 0.00 175.10 174.83 1g1x s VAL 91 N -1.52 -0.00 0.18 2.92 1.01 -0.52 -4.95 120.40 117.50 1g1x s VAL 91 Ca 0.36 0.01 -0.32 0.00 0.00 0.00 0.00 61.98 62.03 1g1x s VAL 91 Cb -0.13 -0.50 -0.11 0.00 0.00 0.00 0.00 36.38 35.65 1g1x s VAL 91 CO 0.23 0.00 1.69 -0.54 0.00 0.00 0.00 175.10 176.48 1g1x s LYS 92 N 0.24 4.16 0.71 2.72 1.02 -1.26 0.11 119.74 127.44 1g1x s LYS 92 Ca -0.00 2.52 -0.15 0.00 0.02 0.00 0.00 55.97 58.35 1g1x s LYS 92 Cb -0.03 -3.20 0.03 0.00 -0.52 0.00 0.00 37.83 34.12 1g1x s LYS 92 CO -0.00 -0.72 1.21 -1.12 -0.92 0.00 0.00 175.35 173.80 1g1x s SER 93 N 1.44 4.32 -0.10 2.83 0.01 0.20 -4.79 113.70 117.61 1g1x s SER 93 Ca 0.74 2.37 -0.18 0.00 1.31 0.00 0.00 55.95 60.19 1g1x s SER 93 Cb -0.47 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.21 1g1x s SER 93 CO 0.32 -2.18 0.45 -1.10 0.41 0.00 0.00 173.24 171.14 1g1x s GLN 94 N -3.83 0.68 0.65 12.44 -0.21 -1.26 -4.94 119.66 123.19 1g1x s GLN 94 Ca 0.75 0.30 -0.18 0.00 0.02 0.00 0.00 55.36 56.25 1g1x s GLN 94 Cb -0.30 0.32 -0.01 0.00 1.00 0.00 0.00 33.01 34.02 1g1x s GLN 94 CO 0.44 -0.15 1.30 0.39 -2.12 0.00 0.00 175.29 175.14 1g1x n GLU 95 N 1.96 1.11 -2.19 2.91 -0.58 -1.26 -4.92 120.64 117.67 1g1x n GLU 95 Ca -0.17 0.44 -0.40 0.00 -0.42 0.00 0.00 57.16 56.61 1g1x n GLU 95 Cb 0.57 -2.54 -0.02 0.00 -0.57 0.00 0.00 31.44 28.88 1g1x n GLU 95 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1g1x s PRO 96 N -3.38 4.25 -0.38 3.49 0.04 -1.26 -4.98 135.00 132.79 1g1x s PRO 96 Ca 0.83 2.06 -0.18 0.00 0.04 0.00 0.00 61.00 63.75 1g1x s PRO 96 Cb -0.38 -2.94 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1g1x s PRO 96 CO 0.40 -0.22 0.48 0.12 0.04 0.00 0.00 177.00 177.82 1g1x s PHE 97 N -1.23 3.17 0.00 0.56 5.36 -1.26 -5.36 117.98 119.22 1g1x s PHE 97 Ca 0.52 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.44 1g1x s PHE 97 Cb -0.36 -2.92 0.00 0.00 -0.34 0.00 0.00 43.02 39.40 1g1x s PHE 97 CO 0.47 -0.60 0.00 -0.11 -1.46 0.00 0.00 175.22 173.52