#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gun s ILE 3 N 0.00 4.44 0.33 0.44 2.07 -1.26 -5.01 121.20 122.22 1gun s ILE 3 Ca 0.00 -1.01 0.26 0.00 -1.41 0.00 0.00 60.65 58.49 1gun s ILE 3 Cb 0.00 -3.23 0.27 0.00 0.13 0.00 0.00 42.46 39.64 1gun s ILE 3 CO 0.00 -0.04 2.00 0.77 -1.91 0.00 0.00 174.94 175.76 1gun h SER 4 N 2.70 0.00 -2.19 4.50 4.64 -2.03 -3.43 113.55 117.74 1gun h SER 4 Ca -0.47 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.28 1gun h SER 4 Cb 1.19 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1gun h SER 4 CO 0.63 0.16 1.22 0.00 -0.87 0.00 0.00 176.83 177.97 1gun n ALA 5 N -2.26 1.36 0.80 5.18 0.00 -1.26 -4.86 120.51 119.47 1gun n ALA 5 Ca -0.01 0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.75 1gun n ALA 5 Cb 0.30 -2.64 0.50 0.00 0.00 0.00 0.00 19.45 17.60 1gun n ALA 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1gun n ARG 6 N 7.38 0.14 -3.52 0.00 1.74 -1.26 -4.67 116.66 116.48 1gun n ARG 6 Ca 0.22 0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 57.01 1gun n ARG 6 Cb 0.37 -1.66 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 1gun n ARG 6 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1gun s ASN 7 N -3.82 6.02 -0.22 0.55 0.01 -1.19 -5.02 114.94 111.27 1gun s ASN 7 Ca 0.12 -0.61 -0.02 0.00 -0.71 0.00 0.00 52.86 51.64 1gun s ASN 7 Cb 0.15 -2.13 0.07 0.00 0.41 0.00 0.00 41.25 39.75 1gun s ASN 7 CO 0.57 -0.31 0.03 -1.10 -1.51 0.00 0.00 177.10 174.79 1gun s GLN 8 N 1.69 0.79 -0.29 -0.60 -0.21 -1.26 -1.17 119.66 118.62 1gun s GLN 8 Ca 0.05 -0.60 -0.01 0.00 0.02 0.00 0.00 55.36 54.82 1gun s GLN 8 Cb -0.18 -2.15 0.05 0.00 1.00 0.00 0.00 33.01 31.74 1gun s GLN 8 CO 0.10 -0.69 -0.02 -0.51 -2.12 0.00 0.00 175.29 172.04 1gun s LEU 9 N 1.76 3.80 0.29 2.90 1.43 0.41 -4.93 118.68 124.35 1gun s LEU 9 Ca 0.00 -1.31 -0.29 0.00 -1.03 0.00 0.00 54.13 51.50 1gun s LEU 9 Cb -0.17 -1.68 -0.10 0.00 0.03 0.00 0.00 46.19 44.27 1gun s LEU 9 CO -0.11 -0.25 1.24 -0.54 0.23 0.00 0.00 176.35 176.93 1gun s LYS 10 N 1.22 4.45 0.28 1.70 1.02 -1.26 -0.95 119.74 126.21 1gun s LYS 10 Ca -0.06 2.05 -0.14 0.00 0.02 0.00 0.00 55.97 57.84 1gun s LYS 10 Cb -0.20 -3.13 0.05 0.00 -0.52 0.00 0.00 37.83 34.03 1gun s LYS 10 CO -0.02 -0.07 0.71 0.41 -0.92 0.00 0.00 175.35 175.46 1gun n GLY 11 N 1.22 1.04 3.21 -3.33 0.00 0.20 -4.13 105.19 103.40 1gun n GLY 11 Ca 0.01 -1.19 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 1gun n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gun s LYS 12 N -2.07 1.91 -0.09 1.61 2.20 -0.47 -1.49 119.74 121.33 1gun s LYS 12 Ca 0.15 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.72 1gun s LYS 12 Cb -0.04 -1.73 -0.05 0.00 -1.51 0.00 0.00 37.83 34.51 1gun s LYS 12 CO 0.09 0.38 1.58 0.08 -0.36 0.00 0.00 175.35 177.12 1gun s VAL 13 N -0.27 3.71 -0.52 4.02 1.01 -0.01 -1.13 120.40 127.23 1gun s VAL 13 Ca 0.02 0.86 0.07 0.00 0.00 0.00 0.00 61.98 62.93 1gun s VAL 13 Cb -0.10 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1gun s VAL 13 CO 0.01 -0.10 0.43 1.33 0.00 0.00 0.00 175.10 176.77 1gun n VAL 14 N 5.56 0.00 -3.67 2.92 0.24 0.09 -1.33 118.33 122.14 1gun n VAL 14 Ca 0.17 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 1gun n VAL 14 Cb 0.43 1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 33.77 1gun n VAL 14 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1gun s GLY 15 N -1.38 -0.39 -0.20 7.63 0.00 -1.05 -4.98 107.32 106.95 1gun s GLY 15 Ca 0.05 1.23 -0.05 0.00 0.00 0.00 0.00 44.72 45.95 1gun s GLY 15 CO 0.24 0.99 0.37 -2.27 0.00 0.00 0.00 173.10 172.43 1gun s LEU 16 N -0.38 -0.57 -0.14 0.66 2.96 -1.26 -1.04 118.68 118.91 1gun s LEU 16 Ca -0.05 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 1gun s LEU 16 Cb -0.03 1.14 0.01 0.00 0.50 0.00 0.00 46.19 47.80 1gun s LEU 16 CO 0.04 -0.26 -0.21 -0.75 -1.32 0.00 0.00 176.35 173.84 1gun s LYS 17 N 2.55 2.99 -0.17 1.98 2.20 -0.04 -4.99 119.74 124.25 1gun s LYS 17 Ca 0.04 -0.84 -0.09 0.00 -0.36 0.00 0.00 55.97 54.72 1gun s LYS 17 Cb -0.13 -2.43 -0.05 0.00 -1.51 0.00 0.00 37.83 33.71 1gun s LYS 17 CO -0.13 -0.04 0.12 0.15 -0.36 0.00 0.00 175.35 175.09 1gun s LYS 18 N 0.88 3.94 0.00 4.03 1.02 -1.26 -0.66 119.74 127.69 1gun s LYS 18 Ca -0.06 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 55.72 1gun s LYS 18 Cb -0.15 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 1gun s LYS 18 CO -0.03 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 1gun n GLY 19 N 3.09 5.50 0.11 -3.33 0.00 -0.25 -5.01 105.19 105.30 1gun n GLY 19 Ca -0.17 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 43.64 1gun n GLY 19 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gun h VAL 20 N 0.03 1.55 0.00 1.61 2.07 -2.03 -3.42 116.25 116.06 1gun h VAL 20 Ca 0.00 -2.19 -0.19 0.00 0.82 0.00 0.00 66.70 65.14 1gun h VAL 20 Cb 0.00 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1gun h VAL 20 CO 0.00 0.61 -1.72 0.52 0.02 0.00 0.00 177.57 177.00 1gun n VAL 21 N -4.35 0.72 -4.02 2.57 0.31 -1.26 -4.91 118.33 107.39 1gun n VAL 21 Ca -0.11 -0.32 -0.26 0.00 -0.01 0.00 0.00 64.34 63.64 1gun n VAL 21 Cb 0.62 -0.90 -0.03 0.00 -0.91 0.00 0.00 33.84 32.62 1gun n VAL 21 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1gun s THR 22 N -2.25 1.80 -0.01 2.52 -4.23 -1.26 -1.15 115.64 111.05 1gun s THR 22 Ca -0.14 -1.59 -0.13 0.00 -1.18 0.00 0.00 61.69 58.65 1gun s THR 22 Cb 0.04 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.51 1gun s THR 22 CO 0.32 0.00 0.27 0.00 -0.54 0.00 0.00 174.62 174.68 1gun s ALA 23 N -2.73 -0.69 -0.19 3.99 0.00 -0.17 -1.09 121.76 120.88 1gun s ALA 23 Ca 0.33 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 1gun s ALA 23 Cb -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1gun s ALA 23 CO 0.19 -0.25 -0.07 -2.00 0.00 0.00 0.00 175.76 173.64 1gun s GLU 24 N -1.33 3.39 -0.10 0.00 2.12 0.17 -1.75 118.70 121.19 1gun s GLU 24 Ca -0.14 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.57 1gun s GLU 24 Cb -0.06 -2.89 -0.02 0.00 0.26 0.00 0.00 34.13 31.42 1gun s GLU 24 CO 0.04 -0.05 -0.14 0.08 -0.54 0.00 0.00 175.26 174.64 1gun s VAL 25 N 1.09 3.01 -0.14 3.70 1.01 0.11 -0.86 120.40 128.32 1gun s VAL 25 Ca 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1gun s VAL 25 Cb -0.15 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1gun s VAL 25 CO -0.01 0.55 -0.21 -0.69 0.00 0.00 0.00 175.10 174.74 1gun s VAL 26 N -0.06 1.99 0.03 2.92 1.01 -0.20 -0.83 120.40 125.26 1gun s VAL 26 Ca -0.03 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.08 1gun s VAL 26 Cb -0.14 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1gun s VAL 26 CO 0.04 0.54 -0.15 -0.76 0.00 0.00 0.00 175.10 174.76 1gun s LEU 27 N 0.86 2.76 -0.24 3.92 1.43 -0.14 -0.73 118.68 126.54 1gun s LEU 27 Ca -0.06 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 1gun s LEU 27 Cb -0.15 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 1gun s LEU 27 CO -0.02 0.26 0.23 -0.70 0.23 0.00 0.00 176.35 176.35 1gun s GLU 28 N -1.46 4.07 0.56 1.70 2.12 -0.28 -1.13 118.70 124.28 1gun s GLU 28 Ca 0.15 -0.15 0.05 0.00 0.36 0.00 0.00 54.97 55.39 1gun s GLU 28 Cb -0.11 -3.57 0.04 0.00 0.26 0.00 0.00 34.13 30.76 1gun s GLU 28 CO 0.06 -0.03 0.41 0.96 -0.54 0.00 0.00 175.26 176.13 1gun s ILE 29 N 1.30 1.57 0.42 -3.70 -4.36 -0.18 -1.37 121.20 114.89 1gun s ILE 29 Ca 0.11 -1.49 -0.24 0.00 -0.26 0.00 0.00 60.65 58.76 1gun s ILE 29 Cb -0.14 -2.07 -0.10 0.00 1.25 0.00 0.00 42.46 41.40 1gun s ILE 29 CO 0.07 0.00 1.08 0.00 0.24 0.00 0.00 174.94 176.32 1gun n ALA 30 N -1.79 0.46 -1.05 2.27 0.00 -1.26 -3.54 120.51 115.60 1gun n ALA 30 Ca -0.02 0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.64 1gun n ALA 30 Cb 0.64 -2.13 -0.01 0.00 0.00 0.00 0.00 19.45 17.96 1gun n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gun n GLY 31 N 1.09 0.53 1.91 0.00 0.00 -1.26 -3.47 105.19 103.98 1gun n GLY 31 Ca 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1gun n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gun n GLY 32 N -2.63 0.77 3.89 -0.02 0.00 -1.23 -5.05 105.19 100.91 1gun n GLY 32 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1gun n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gun s ASN 33 N -2.57 6.40 -0.01 1.61 0.01 -1.23 -4.96 114.94 114.19 1gun s ASN 33 Ca 0.00 1.04 0.06 0.00 -0.71 0.00 0.00 52.86 53.25 1gun s ASN 33 Cb 0.00 -2.29 -0.01 0.00 0.41 0.00 0.00 41.25 39.36 1gun s ASN 33 CO 0.00 -0.48 -0.19 -0.54 -1.51 0.00 0.00 177.10 174.37 1gun s LYS 34 N -4.27 1.54 -0.04 -0.60 1.02 -1.26 -1.01 119.74 115.12 1gun s LYS 34 Ca 0.49 -0.69 0.07 0.00 0.02 0.00 0.00 55.97 55.86 1gun s LYS 34 Cb -0.10 -1.49 -0.01 0.00 -0.52 0.00 0.00 37.83 35.70 1gun s LYS 34 CO 0.38 0.41 -0.24 0.42 -0.92 0.00 0.00 175.35 175.40 1gun s ILE 35 N -0.46 1.93 -0.09 2.17 -1.09 -0.28 -4.97 121.20 118.42 1gun s ILE 35 Ca 0.07 -1.02 0.04 0.00 -2.23 0.00 0.00 60.65 57.51 1gun s ILE 35 Cb -0.07 -1.62 -0.00 0.00 -1.58 0.00 0.00 42.46 39.18 1gun s ILE 35 CO -0.01 0.54 -0.24 -0.89 -1.23 0.00 0.00 174.94 173.12 1gun s THR 36 N -0.33 2.08 0.01 2.92 2.01 -1.26 -0.96 115.64 120.10 1gun s THR 36 Ca 0.02 -1.02 0.07 0.00 0.31 0.00 0.00 61.69 61.07 1gun s THR 36 Cb -0.12 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 1gun s THR 36 CO 0.01 0.56 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.75 1gun s SER 37 N 0.26 2.42 -0.21 3.53 0.15 -0.01 -5.00 113.70 114.85 1gun s SER 37 Ca -0.17 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.07 1gun s SER 37 Cb -0.17 -0.24 0.04 0.00 -1.71 0.00 0.00 66.02 63.93 1gun s SER 37 CO 0.08 0.21 -0.15 -0.63 1.20 0.00 0.00 173.24 173.95 1gun s ILE 38 N -0.62 2.04 0.25 6.45 1.01 -1.26 -0.71 121.20 128.36 1gun s ILE 38 Ca 0.08 -1.19 0.03 0.00 0.00 0.00 0.00 60.65 59.56 1gun s ILE 38 Cb -0.08 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 1gun s ILE 38 CO 0.00 0.29 0.09 2.30 0.00 0.00 0.00 174.94 177.63 1gun n ILE 39 N 4.56 0.00 -2.42 2.92 -5.35 -0.72 -4.95 119.36 113.41 1gun n ILE 39 Ca -0.18 -1.47 -0.38 0.00 -0.27 0.00 0.00 62.75 60.45 1gun n ILE 39 Cb 0.47 0.53 -0.03 0.00 -1.74 0.00 0.00 39.64 38.87 1gun n ILE 39 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1gun s SER 40 N -2.55 6.81 0.33 7.28 1.04 -1.26 -1.00 113.70 124.34 1gun s SER 40 Ca 0.13 2.24 0.04 0.00 0.48 0.00 0.00 55.95 58.83 1gun s SER 40 Cb 0.01 -2.61 0.64 0.00 0.10 0.00 0.00 66.02 64.16 1gun s SER 40 CO 0.09 -0.47 1.91 0.25 0.98 0.00 0.00 173.24 176.00 1gun h LEU 41 N 2.94 0.80 -1.12 2.42 5.85 -1.33 -2.14 115.31 122.73 1gun h LEU 41 Ca -0.48 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1gun h LEU 41 Cb 1.22 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1gun h LEU 41 CO 0.64 0.49 0.34 0.44 -0.34 0.00 0.00 178.44 180.01 1gun h ASP 42 N 0.89 0.86 -0.42 1.25 3.32 -1.91 -2.33 116.42 118.09 1gun h ASP 42 Ca 0.39 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 1gun h ASP 42 Cb 0.33 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1gun h ASP 42 CO -0.15 0.72 0.05 0.28 -1.72 0.00 0.00 179.24 178.41 1gun h SER 43 N 0.96 0.74 0.09 6.45 0.02 -1.78 0.27 113.55 120.31 1gun h SER 43 Ca 0.24 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1gun h SER 43 Cb 0.07 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1gun h SER 43 CO -0.03 0.78 -0.04 0.58 -1.14 0.00 0.00 176.83 176.97 1gun h VAL 44 N 0.74 0.97 -0.11 2.27 2.07 -1.27 0.25 116.25 121.18 1gun h VAL 44 Ca 0.15 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1gun h VAL 44 Cb 0.38 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1gun h VAL 44 CO 0.01 0.05 0.05 -0.33 0.02 0.00 0.00 177.57 177.38 1gun h GLU 45 N -0.22 0.12 -0.56 1.57 5.08 -1.32 -0.67 114.58 118.58 1gun h GLU 45 Ca -0.01 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1gun h GLU 45 Cb 0.18 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1gun h GLU 45 CO 0.02 0.08 0.12 0.93 -1.00 0.00 0.00 179.01 179.16 1gun h GLU 46 N 0.12 0.87 -0.04 2.33 5.08 -0.14 -2.43 114.58 120.37 1gun h GLU 46 Ca 0.05 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1gun h GLU 46 Cb 0.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1gun h GLU 46 CO -0.03 0.79 0.00 1.28 -1.00 0.00 0.00 179.01 180.05 1gun n LEU 47 N -4.26 1.09 -3.59 1.33 4.77 0.87 -4.94 117.00 112.27 1gun n LEU 47 Ca 0.04 -0.39 -0.20 0.00 -0.03 0.00 0.00 56.01 55.43 1gun n LEU 47 Cb 0.24 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1gun n LEU 47 CO 0.40 0.19 0.04 0.61 -1.33 0.00 0.00 177.39 177.30 1gun n GLY 48 N 1.10 -0.34 3.75 -0.72 0.00 -0.33 -4.96 105.19 103.68 1gun n GLY 48 Ca 0.19 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 1gun n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gun s VAL 49 N -3.50 3.83 0.15 1.61 1.01 -0.76 -5.03 120.40 117.71 1gun s VAL 49 Ca 0.07 1.68 -0.24 0.00 0.00 0.00 0.00 61.98 63.49 1gun s VAL 49 Cb -0.03 -4.07 0.07 0.00 0.00 0.00 0.00 36.38 32.35 1gun s VAL 49 CO 0.77 0.34 0.65 -0.54 0.00 0.00 0.00 175.10 176.32 1gun s LYS 50 N -0.77 1.27 0.16 2.72 1.02 -1.26 -4.89 119.74 117.98 1gun s LYS 50 Ca 0.47 -0.50 -0.34 0.00 0.02 0.00 0.00 55.97 55.62 1gun s LYS 50 Cb -0.29 0.56 -0.15 0.00 -0.52 0.00 0.00 37.83 37.43 1gun s LYS 50 CO 0.36 -0.56 1.32 -1.91 -0.92 0.00 0.00 175.35 173.64 1gun n GLU 51 N -0.37 1.45 0.00 1.68 2.13 -1.26 -1.72 120.64 122.55 1gun n GLU 51 Ca -0.15 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1gun n GLU 51 Cb 0.64 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.22 1gun n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gun n GLY 52 N 2.39 2.87 3.75 8.31 0.00 -0.44 -4.98 105.19 117.10 1gun n GLY 52 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1gun n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gun s ALA 53 N -2.35 2.84 -0.32 4.61 0.00 -0.70 -4.57 121.76 121.27 1gun s ALA 53 Ca 0.00 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 1gun s ALA 53 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 1gun s ALA 53 CO 0.00 -1.19 0.22 -1.21 0.00 0.00 0.00 175.76 173.58 1gun s GLU 54 N -2.87 3.59 0.34 0.00 0.41 -1.26 -0.83 118.70 118.08 1gun s GLU 54 Ca 0.70 -0.57 0.06 0.00 -0.41 0.00 0.00 54.97 54.75 1gun s GLU 54 Cb -0.37 -3.74 -0.03 0.00 -1.78 0.00 0.00 34.13 28.21 1gun s GLU 54 CO 0.44 -0.37 0.24 -0.51 -0.49 0.00 0.00 175.26 174.57 1gun s LEU 55 N 1.72 1.77 -0.07 1.80 1.43 -0.56 -4.98 118.68 119.79 1gun s LEU 55 Ca 0.06 -1.73 0.04 0.00 -1.03 0.00 0.00 54.13 51.47 1gun s LEU 55 Cb -0.17 0.41 0.00 0.00 0.03 0.00 0.00 46.19 46.46 1gun s LEU 55 CO 0.10 -1.03 -0.19 -0.89 0.23 0.00 0.00 176.35 174.57 1gun s THR 56 N -3.43 1.62 -0.06 5.49 2.01 -1.26 -0.63 115.64 119.37 1gun s THR 56 Ca 0.37 -0.79 -0.16 0.00 0.31 0.00 0.00 61.69 61.42 1gun s THR 56 Cb 0.03 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 1gun s THR 56 CO 0.24 0.46 0.41 0.00 -0.69 0.00 0.00 174.62 175.04 1gun s ALA 57 N 0.24 3.62 -0.09 7.40 0.00 -0.12 -4.87 121.76 127.93 1gun s ALA 57 Ca -0.10 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.64 1gun s ALA 57 Cb -0.15 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.52 1gun s ALA 57 CO 0.05 0.28 -0.18 0.08 0.00 0.00 0.00 175.76 175.98 1gun s VAL 58 N -0.32 1.64 -0.04 0.00 1.01 -1.26 -0.44 120.40 120.99 1gun s VAL 58 Ca 0.23 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1gun s VAL 58 Cb -0.16 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.79 1gun s VAL 58 CO 0.11 0.47 -0.04 -0.69 0.00 0.00 0.00 175.10 174.95 1gun s VAL 59 N 0.57 0.48 0.33 2.92 1.01 -0.32 -5.02 120.40 120.38 1gun s VAL 59 Ca -0.15 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1gun s VAL 59 Cb -0.17 -0.53 -0.10 0.00 0.00 0.00 0.00 36.38 35.58 1gun s VAL 59 CO 0.05 0.22 1.35 -0.54 0.00 0.00 0.00 175.10 176.17 1gun s LYS 60 N 1.00 4.31 0.44 2.72 1.02 -1.26 -3.15 119.74 124.81 1gun s LYS 60 Ca -0.10 2.28 0.12 0.00 0.02 0.00 0.00 55.97 58.29 1gun s LYS 60 Cb -0.14 -3.06 1.00 0.00 -0.52 0.00 0.00 37.83 35.11 1gun s LYS 60 CO -0.00 -0.26 2.03 0.77 -0.92 0.00 0.00 175.35 176.97 1gun h SER 61 N 3.44 0.36 0.38 2.83 0.02 -1.94 -1.36 113.55 117.27 1gun h SER 61 Ca -0.49 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1gun h SER 61 Cb 1.23 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1gun h SER 61 CO 0.66 0.24 0.00 0.35 -1.14 0.00 0.00 176.83 176.94 1gun n THR 62 N -4.48 1.21 0.82 -2.27 -2.24 -1.26 -2.15 114.28 103.91 1gun n THR 62 Ca 0.05 0.36 0.12 0.00 -2.27 0.00 0.00 64.05 62.31 1gun n THR 62 Cb 0.21 -1.23 0.18 0.00 -2.10 0.00 0.00 70.33 67.40 1gun n THR 62 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gun n ASP 63 N -1.73 2.99 -4.58 3.42 8.00 -0.51 -4.89 116.55 119.24 1gun n ASP 63 Ca 0.02 -1.95 -0.39 0.00 0.71 0.00 0.00 54.79 53.18 1gun n ASP 63 Cb 0.13 -0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.04 1gun n ASP 63 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gun s VAL 64 N -1.82 5.25 0.34 2.53 1.01 -0.92 -5.01 120.40 121.77 1gun s VAL 64 Ca 0.33 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 1gun s VAL 64 Cb 0.21 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1gun s VAL 64 CO 0.31 0.15 0.57 -0.04 0.00 0.00 0.00 175.10 176.08 1gun s MET 65 N 1.88 3.54 -0.09 2.72 -1.94 -1.26 -5.07 119.30 119.07 1gun s MET 65 Ca 0.10 -0.17 0.02 0.00 -1.71 0.00 0.00 55.69 53.93 1gun s MET 65 Cb -0.16 -2.63 -0.02 0.00 2.01 0.00 0.00 34.83 34.03 1gun s MET 65 CO 0.11 0.14 -0.15 0.42 -0.01 0.00 0.00 175.02 175.53 1gun s ILE 66 N -2.27 2.93 -0.06 2.53 -1.09 -1.26 -5.12 121.20 116.86 1gun s ILE 66 Ca 0.42 -0.73 0.05 0.00 -2.23 0.00 0.00 60.65 58.16 1gun s ILE 66 Cb -0.10 -2.19 -0.01 0.00 -1.58 0.00 0.00 42.46 38.59 1gun s ILE 66 CO 0.35 0.55 -0.24 -0.22 -1.23 0.00 0.00 174.94 174.16 1gun s LEU 67 N -0.07 2.04 0.00 2.97 2.96 -1.26 -5.35 118.68 119.98 1gun s LEU 67 Ca -0.03 -0.50 0.16 0.00 -0.22 0.00 0.00 54.13 53.54 1gun s LEU 67 Cb -0.14 -1.32 0.13 0.00 0.50 0.00 0.00 46.19 45.36 1gun s LEU 67 CO 0.04 0.21 1.01 0.00 -1.32 0.00 0.00 176.35 176.29