#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghd s ALA 15 N 0.00 2.29 -0.01 3.14 0.00 -1.26 -1.46 121.76 124.46 3ghd s ALA 15 Ca 0.00 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 50.55 3ghd s ALA 15 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3ghd s ALA 15 CO 0.00 0.48 -0.17 0.42 0.00 0.00 0.00 175.76 176.48 3ghd s ILE 16 N -1.22 1.37 -0.02 0.00 -1.09 -0.44 -4.99 121.20 114.80 3ghd s ILE 16 Ca 0.14 -0.77 -0.24 0.00 -2.23 0.00 0.00 60.65 57.54 3ghd s ILE 16 Cb -0.09 -1.15 -0.04 0.00 -1.58 0.00 0.00 42.46 39.60 3ghd s ILE 16 CO 0.06 0.36 0.75 -0.69 -1.23 0.00 0.00 174.94 174.19 3ghd s VAL 17 N -0.44 4.92 0.37 2.92 1.01 -1.26 -0.86 120.40 127.06 3ghd s VAL 17 Ca 0.07 1.56 0.04 0.00 0.00 0.00 0.00 61.98 63.64 3ghd s VAL 17 Cb -0.07 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3ghd s VAL 17 CO -0.00 0.29 0.08 0.68 0.00 0.00 0.00 175.10 176.14 3ghd s VAL 18 N 0.50 0.95 0.06 2.92 -7.23 -0.05 -4.90 120.40 112.65 3ghd s VAL 18 Ca 0.39 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 3ghd s VAL 18 Cb -0.19 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 3ghd s VAL 18 CO 0.21 0.00 0.19 -1.10 -0.31 0.00 0.00 175.10 174.09 3ghd s GLN 19 N -3.82 3.38 0.46 4.82 -0.21 -1.26 -4.30 119.66 118.72 3ghd s GLN 19 Ca 0.29 -0.46 0.20 0.00 0.02 0.00 0.00 55.36 55.41 3ghd s GLN 19 Cb 0.06 -3.01 1.18 0.00 1.00 0.00 0.00 33.01 32.24 3ghd s GLN 19 CO 0.14 0.61 1.90 -1.00 -2.12 0.00 0.00 175.29 174.82 3ghd h PRO 20 N 3.15 0.28 -0.01 2.91 0.13 -1.96 -0.88 132.00 135.62 3ghd h PRO 20 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3ghd h PRO 20 Cb 1.16 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3ghd h PRO 20 CO 0.74 0.18 -0.13 1.63 -0.23 0.00 0.00 178.00 180.19 3ghd n LYS 21 N -4.44 1.25 -1.86 0.86 4.01 -1.26 -2.44 118.16 114.28 3ghd n LYS 21 Ca 0.16 -0.74 -0.42 0.00 -0.51 0.00 0.00 58.31 56.80 3ghd n LYS 21 Cb 0.67 -1.48 -0.02 0.00 -0.51 0.00 0.00 35.03 33.68 3ghd n LYS 21 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3ghd s ASP 22 N -2.26 6.48 0.65 4.39 1.01 -0.34 -4.78 116.67 121.83 3ghd s ASP 22 Ca 0.31 2.82 -0.11 0.00 0.71 0.00 0.00 52.55 56.27 3ghd s ASP 22 Cb 0.20 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 3ghd s ASP 22 CO 0.43 -0.85 1.05 0.42 0.21 0.00 0.00 175.17 176.44 3ghd s THR 23 N 0.27 4.18 0.26 -1.27 -4.23 -1.26 -0.97 115.64 112.61 3ghd s THR 23 Ca 0.64 0.69 0.06 0.00 -1.18 0.00 0.00 61.69 61.90 3ghd s THR 23 Cb -0.46 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 69.67 3ghd s THR 23 CO 0.43 -0.91 1.61 0.58 -0.54 0.00 0.00 174.62 175.78 3ghd h VAL 24 N -0.45 1.37 -0.13 2.29 2.07 -0.64 -1.69 116.25 119.08 3ghd h VAL 24 Ca -0.44 -1.87 -0.00 0.00 0.82 0.00 0.00 66.70 65.20 3ghd h VAL 24 Cb 1.22 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 3ghd h VAL 24 CO 0.63 0.55 0.06 -2.24 0.02 0.00 0.00 177.57 176.59 3ghd h ASP 25 N 0.15 0.17 -0.70 0.57 2.03 -1.85 0.19 116.42 116.98 3ghd h ASP 25 Ca -0.00 -0.12 -0.07 0.00 -0.73 0.00 0.00 57.03 56.11 3ghd h ASP 25 Cb 1.02 -0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 39.45 3ghd h ASP 25 CO 0.08 0.24 0.14 0.03 -1.03 0.00 0.00 179.24 178.71 3ghd h ARG 26 N 0.08 1.13 -0.30 4.15 3.08 -1.81 -2.92 114.38 117.79 3ghd h ARG 26 Ca 0.04 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 59.69 3ghd h ARG 26 Cb 0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3ghd h ARG 26 CO -0.01 1.01 -0.26 0.28 -1.07 0.00 0.00 179.97 179.93 3ghd h VAL 27 N 1.07 1.30 -0.58 2.04 2.07 -1.24 -2.18 116.25 118.73 3ghd h VAL 27 Ca 0.22 -1.42 0.12 0.00 0.82 0.00 0.00 66.70 66.44 3ghd h VAL 27 Cb 0.41 1.53 -0.11 0.00 -1.52 0.00 0.00 31.29 31.60 3ghd h VAL 27 CO 0.01 0.46 -0.10 0.00 0.02 0.00 0.00 177.57 177.95 3ghd h ALA 28 N 0.72 0.44 -0.47 1.67 0.00 -0.96 -0.89 119.26 119.77 3ghd h ALA 28 Ca 0.05 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3ghd h ALA 28 Cb 0.83 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3ghd h ALA 28 CO 0.07 -0.42 0.08 1.57 0.00 0.00 0.00 179.25 180.54 3ghd h LYS 29 N 0.03 0.78 -0.11 0.00 2.10 -1.41 -1.90 116.57 116.06 3ghd h LYS 29 Ca 0.29 -0.21 0.04 0.00 -2.00 0.00 0.00 60.65 58.76 3ghd h LYS 29 Cb 0.45 -0.09 -0.04 0.00 -0.90 0.00 0.00 32.23 31.65 3ghd h LYS 29 CO -0.57 0.79 -0.13 0.82 -2.00 0.00 0.00 179.45 178.36 3ghd h ILE 30 N 0.65 0.64 -0.08 0.07 2.04 -0.92 -1.48 117.51 118.44 3ghd h ILE 30 Ca 0.14 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.02 3ghd h ILE 30 Cb 0.39 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3ghd h ILE 30 CO 0.01 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.07 3ghd h LEU 31 N -0.17 -0.08 -0.32 1.44 3.38 -1.11 -2.50 115.31 115.95 3ghd h LEU 31 Ca 0.08 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 3ghd h LEU 31 Cb 0.29 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ghd h LEU 31 CO -0.21 -0.03 -0.68 0.77 0.09 0.00 0.00 178.44 178.37 3ghd h SER 32 N -0.01 0.77 0.40 -0.43 4.64 -1.19 0.32 113.55 118.06 3ghd h SER 32 Ca 0.04 -0.47 -0.05 0.00 -0.47 0.00 0.00 61.79 60.84 3ghd h SER 32 Cb 0.07 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3ghd h SER 32 CO -0.08 1.24 -0.23 0.03 -0.87 0.00 0.00 176.83 176.91 3ghd h ARG 33 N 0.47 0.00 -0.45 4.77 2.47 -1.28 -1.72 114.38 118.64 3ghd h ARG 33 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3ghd h ARG 33 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 3ghd h ARG 33 CO 0.13 0.23 0.00 0.09 0.56 0.00 0.00 179.97 180.99 3ghd n ASN 34 N -3.88 3.47 -3.94 7.04 3.02 -0.94 -4.98 115.26 115.05 3ghd n ASN 34 Ca -0.02 -1.97 -0.26 0.00 -0.03 0.00 0.00 54.58 52.30 3ghd n ASN 34 Cb 0.32 -0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 3ghd n ASN 34 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ghd n LYS 35 N 1.40 -3.58 -4.34 3.52 4.01 0.12 -4.97 118.16 114.33 3ghd n LYS 35 Ca 0.19 0.44 -0.27 0.00 -0.51 0.00 0.00 58.31 58.15 3ghd n LYS 35 Cb 0.58 -4.70 -0.11 0.00 -0.51 0.00 0.00 35.03 30.29 3ghd n LYS 35 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ghd s ALA 36 N -3.84 2.74 -0.13 7.82 0.00 0.90 -4.92 121.76 124.35 3ghd s ALA 36 Ca 0.10 -1.49 0.20 0.00 0.00 0.00 0.00 51.96 50.76 3ghd s ALA 36 Cb -0.05 -0.58 -0.29 0.00 0.00 0.00 0.00 23.12 22.20 3ghd s ALA 36 CO 0.88 0.49 0.25 0.41 0.00 0.00 0.00 175.76 177.79 3ghd n GLY 37 N 0.32 -1.00 3.19 0.00 0.00 -0.53 -4.48 105.19 102.68 3ghd n GLY 37 Ca -0.13 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 3ghd n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ghd s SER 38 N -5.08 2.24 -0.24 1.61 0.01 -1.06 -2.71 113.70 108.48 3ghd s SER 38 Ca -0.09 -0.35 -0.04 0.00 1.31 0.00 0.00 55.95 56.78 3ghd s SER 38 Cb 0.09 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.08 3ghd s SER 38 CO 0.86 0.23 -0.02 0.00 0.41 0.00 0.00 173.24 174.73 3ghd s ALA 39 N -0.46 2.85 -0.34 1.44 0.00 0.16 -1.33 121.76 124.08 3ghd s ALA 39 Ca 0.07 -1.30 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 3ghd s ALA 39 Cb -0.07 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 3ghd s ALA 39 CO -0.01 -0.64 0.55 0.08 0.00 0.00 0.00 175.76 175.75 3ghd s VAL 40 N 1.45 4.98 0.55 0.00 1.01 -0.04 -0.43 120.40 127.92 3ghd s VAL 40 Ca 0.04 0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 3ghd s VAL 40 Cb -0.15 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3ghd s VAL 40 CO -0.02 -0.20 0.87 -0.69 0.00 0.00 0.00 175.10 175.06 3ghd s VAL 41 N 2.48 4.23 -0.30 2.92 1.01 -0.31 -0.87 120.40 129.57 3ghd s VAL 41 Ca 0.21 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 3ghd s VAL 41 Cb -0.15 -3.65 0.18 0.00 0.00 0.00 0.00 36.38 32.76 3ghd s VAL 41 CO 0.13 -0.67 0.88 -0.70 0.00 0.00 0.00 175.10 174.74 3ghd s GLU 43 N -4.91 0.32 4.87 2.72 2.56 -0.29 -0.28 118.70 123.69 3ghd s GLU 43 Ca 0.51 0.48 0.00 0.00 0.00 0.00 0.00 54.97 55.96 3ghd s GLU 43 Cb -0.10 0.25 0.00 0.00 2.00 0.00 0.00 34.13 36.28 3ghd s GLU 43 CO 0.46 -0.44 0.00 0.41 -0.56 0.00 0.00 175.26 175.13 3ghd n GLY 44 N 5.38 2.33 0.07 -1.50 0.00 -1.26 -0.99 105.19 109.22 3ghd n GLY 44 Ca -0.00 0.37 0.12 0.00 0.00 0.00 0.00 46.02 46.50 3ghd n GLY 44 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ghd h ASP 45 N 0.00 0.00 -3.75 1.61 5.19 -2.05 -3.47 116.42 113.96 3ghd h ASP 45 Ca 0.00 -0.19 -0.63 0.00 -0.62 0.00 0.00 57.03 55.59 3ghd h ASP 45 Cb 0.00 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.35 3ghd h ASP 45 CO 0.00 0.10 -0.50 -0.70 -3.12 0.00 0.00 179.24 175.02 3ghd s GLU 46 N -3.17 4.01 -0.42 3.56 2.12 -0.16 -5.06 118.70 119.58 3ghd s GLU 46 Ca 0.06 -0.28 -0.29 0.00 0.36 0.00 0.00 54.97 54.82 3ghd s GLU 46 Cb 0.13 -3.60 0.02 0.00 0.26 0.00 0.00 34.13 30.94 3ghd s GLU 46 CO 0.71 -0.07 1.20 0.42 -0.54 0.00 0.00 175.26 176.98 3ghd s ILE 47 N 1.44 4.19 -0.01 -3.70 1.01 -1.26 -1.14 121.20 121.73 3ghd s ILE 47 Ca 0.08 1.25 -0.04 0.00 0.00 0.00 0.00 60.65 61.93 3ghd s ILE 47 Cb -0.15 -4.46 -0.28 0.00 0.01 0.00 0.00 42.46 37.58 3ghd s ILE 47 CO 0.08 -0.83 0.82 -0.07 0.00 0.00 0.00 174.94 174.94 3ghd h LEU 48 N 11.21 0.43 0.00 2.97 3.38 -1.03 -3.43 115.31 128.84 3ghd h LEU 48 Ca -0.24 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.12 3ghd h LEU 48 Cb 1.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3ghd h LEU 48 CO 1.10 1.51 0.00 0.61 0.09 0.00 0.00 178.44 181.75 3ghd n GLY 49 N 1.70 -0.90 2.96 0.83 0.00 -1.19 -1.55 105.19 107.04 3ghd n GLY 49 Ca -0.18 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 3ghd n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ghd s VAL 50 N -3.00 0.15 -0.07 1.61 0.11 -0.56 -1.17 120.40 117.47 3ghd s VAL 50 Ca 0.00 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 3ghd s VAL 50 Cb 0.00 -0.23 0.01 0.00 -1.53 0.00 0.00 36.38 34.63 3ghd s VAL 50 CO 0.00 -0.29 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.65 3ghd s VAL 51 N -0.91 1.32 0.37 2.04 1.01 0.43 -1.15 120.40 123.51 3ghd s VAL 51 Ca -0.09 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.39 3ghd s VAL 51 Cb -0.06 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3ghd s VAL 51 CO -0.00 0.40 0.26 0.42 0.00 0.00 0.00 175.10 176.17 3ghd s THR 52 N 0.64 2.96 0.43 3.92 -4.23 -1.26 0.37 115.64 118.47 3ghd s THR 52 Ca -0.15 -1.50 0.12 0.00 -1.18 0.00 0.00 61.69 58.99 3ghd s THR 52 Cb -0.16 -3.04 0.18 0.00 1.34 0.00 0.00 72.50 70.82 3ghd s THR 52 CO 0.04 -0.10 1.97 -0.33 -0.54 0.00 0.00 174.62 175.66 3ghd h GLU 53 N 1.30 0.11 -0.49 3.99 5.08 -1.89 -1.31 114.58 121.36 3ghd h GLU 53 Ca -0.43 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 3ghd h GLU 53 Cb 1.26 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3ghd h GLU 53 CO 0.61 0.25 0.04 0.00 -1.00 0.00 0.00 179.01 178.92 3ghd h ARG 54 N 0.11 0.84 -0.54 2.33 2.47 -1.95 -1.30 114.38 116.33 3ghd h ARG 54 Ca 0.02 -0.25 0.09 0.00 -1.26 0.00 0.00 59.98 58.59 3ghd h ARG 54 Cb 0.31 -0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 28.48 3ghd h ARG 54 CO 0.02 0.86 0.14 -0.44 0.56 0.00 0.00 179.97 181.10 3ghd h ASP 55 N 0.70 0.06 -0.27 7.04 3.32 -1.79 0.29 116.42 125.77 3ghd h ASP 55 Ca 0.14 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3ghd h ASP 55 Cb 0.45 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3ghd h ASP 55 CO 0.02 0.05 0.17 0.40 -1.72 0.00 0.00 179.24 178.16 3ghd h ILE 56 N 0.28 1.08 -0.15 0.35 2.04 -0.90 0.15 117.51 120.36 3ghd h ILE 56 Ca 0.27 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.86 3ghd h ILE 56 Cb 0.36 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3ghd h ILE 56 CO -0.33 0.08 -0.30 -0.07 0.00 0.00 0.00 178.15 177.53 3ghd h LEU 57 N 0.36 0.53 0.12 1.44 3.38 -0.98 -2.22 115.31 117.93 3ghd h LEU 57 Ca 0.10 -0.55 -0.29 0.00 0.09 0.00 0.00 57.88 57.22 3ghd h LEU 57 Cb -0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3ghd h LEU 57 CO -0.02 0.98 -1.43 0.44 0.09 0.00 0.00 178.44 178.50 3ghd h ASP 58 N 0.09 0.39 0.23 -0.43 3.32 -0.41 -0.41 116.42 119.20 3ghd h ASP 58 Ca 0.01 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3ghd h ASP 58 Cb 0.89 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3ghd h ASP 58 CO 0.07 1.40 -1.42 0.29 -1.72 0.00 0.00 179.24 177.85 3ghd n LYS 59 N -3.47 0.42 0.01 3.56 5.02 0.51 -4.13 118.16 120.08 3ghd n LYS 59 Ca -0.13 -0.07 -0.01 0.00 -2.02 0.00 0.00 58.31 56.08 3ghd n LYS 59 Cb 1.04 -1.57 -0.00 0.00 -0.02 0.00 0.00 35.03 34.47 3ghd n LYS 59 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3ghd n VAL 60 N -2.07 0.50 0.11 -0.18 0.31 -0.88 -4.59 118.33 111.53 3ghd n VAL 60 Ca -0.00 0.20 -0.13 0.00 -0.01 0.00 0.00 64.34 64.39 3ghd n VAL 60 Cb 0.48 -1.35 -0.08 0.00 -0.91 0.00 0.00 33.84 31.99 3ghd n VAL 60 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3ghd h VAL 61 N -0.08 0.86 0.00 2.52 2.07 -1.35 -0.43 116.25 119.85 3ghd h VAL 61 Ca 0.00 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 3ghd h VAL 61 Cb 0.08 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3ghd h VAL 61 CO 0.00 0.02 -0.43 0.00 0.02 0.00 0.00 177.57 177.18 3ghd h ALA 62 N 0.59 1.08 0.00 1.67 0.00 -1.30 -0.19 119.26 121.11 3ghd h ALA 62 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ghd h ALA 62 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ghd h ALA 62 CO 0.04 0.54 0.00 1.63 0.00 0.00 0.00 179.25 181.45 3ghd n LYS 63 N -3.73 0.57 -1.02 0.00 4.76 -1.17 -4.92 118.16 112.64 3ghd n LYS 63 Ca -0.01 0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 3ghd n LYS 63 Cb 0.50 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.19 3ghd n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ghd n GLY 64 N 1.13 0.48 3.82 0.72 0.00 -0.08 -5.01 105.19 106.23 3ghd n GLY 64 Ca 0.16 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3ghd n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ghd s LYS 65 N -0.85 3.95 -0.24 1.61 1.02 -0.22 -5.02 119.74 119.99 3ghd s LYS 65 Ca 0.00 1.17 -0.25 0.00 0.02 0.00 0.00 55.97 56.92 3ghd s LYS 65 Cb 0.00 -2.13 -0.00 0.00 -0.52 0.00 0.00 37.83 35.18 3ghd s LYS 65 CO 0.00 -0.28 0.84 1.21 -0.92 0.00 0.00 175.35 176.20 3ghd s ASN 66 N -2.34 6.85 0.49 2.83 2.47 -1.26 -4.50 114.94 119.48 3ghd s ASN 66 Ca 0.63 1.06 0.19 0.00 0.42 0.00 0.00 52.86 55.16 3ghd s ASN 66 Cb -0.12 -2.44 1.23 0.00 -1.45 0.00 0.00 41.25 38.47 3ghd s ASN 66 CO 0.21 -0.52 2.07 -0.65 -3.72 0.00 0.00 177.10 174.49 3ghd h PRO 67 N 7.65 0.00 0.00 0.43 0.11 -1.93 -0.97 132.00 137.29 3ghd h PRO 67 Ca -0.23 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 3ghd h PRO 67 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ghd h PRO 67 CO 0.88 0.12 -0.12 0.87 -0.21 0.00 0.00 178.00 179.54 3ghd h LYS 68 N 0.00 0.00 -0.39 1.05 1.57 -1.94 -2.22 116.57 114.64 3ghd h LYS 68 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ghd h LYS 68 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3ghd h LYS 68 CO 0.02 0.12 0.00 0.39 -0.57 0.00 0.00 179.45 179.40 3ghd n GLU 69 N -3.77 2.40 -4.94 3.15 1.02 -0.38 -4.85 120.64 113.26 3ghd n GLU 69 Ca -0.02 -2.12 -0.32 0.00 -0.02 0.00 0.00 57.16 54.67 3ghd n GLU 69 Cb 0.22 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 29.99 3ghd n GLU 69 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ghd s VAL 70 N -1.50 2.47 -0.03 2.62 1.01 -1.01 -5.00 120.40 118.96 3ghd s VAL 70 Ca 0.38 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 3ghd s VAL 70 Cb 0.22 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 3ghd s VAL 70 CO 0.31 0.54 0.37 -0.54 0.00 0.00 0.00 175.10 175.77 3ghd s LYS 71 N 0.44 3.89 0.46 2.72 1.02 -1.26 -1.41 119.74 125.61 3ghd s LYS 71 Ca -0.14 0.32 0.16 0.00 0.02 0.00 0.00 55.97 56.33 3ghd s LYS 71 Cb -0.17 -3.24 1.12 0.00 -0.52 0.00 0.00 37.83 35.03 3ghd s LYS 71 CO 0.06 0.65 2.01 -0.39 -0.92 0.00 0.00 175.35 176.76 3ghd h VAL 72 N 3.85 0.89 -0.83 3.17 -1.51 -1.07 0.29 116.25 121.03 3ghd h VAL 72 Ca -0.51 -0.10 0.19 0.00 -1.23 0.00 0.00 66.70 65.05 3ghd h VAL 72 Cb 1.22 0.57 -0.05 0.00 -2.13 0.00 0.00 31.29 30.90 3ghd h VAL 72 CO 0.62 0.05 0.56 1.05 -1.23 0.00 0.00 177.57 178.63 3ghd h GLU 73 N 0.29 0.31 0.00 5.19 4.11 -1.76 -1.98 114.58 120.74 3ghd h GLU 73 Ca 0.23 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.64 3ghd h GLU 73 Cb 0.54 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3ghd h GLU 73 CO -0.05 0.20 0.00 0.93 0.07 0.00 0.00 179.01 180.16 3ghd h GLU 74 N 0.32 0.00 -2.86 1.06 5.08 -0.72 -3.48 114.58 113.98 3ghd h GLU 74 Ca 0.42 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 58.17 3ghd h GLU 74 Cb 1.14 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.99 3ghd h GLU 74 CO -0.12 0.00 -0.72 0.96 -1.00 0.00 0.00 179.01 178.13 3ghd s ILE 75 N -3.46 1.90 -0.04 3.13 -4.36 -0.75 -5.05 121.20 112.56 3ghd s ILE 75 Ca 0.03 -3.53 0.06 0.00 -0.26 0.00 0.00 60.65 56.95 3ghd s ILE 75 Cb 0.09 -2.27 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 3ghd s ILE 75 CO 0.43 -1.06 -0.23 -0.89 0.24 0.00 0.00 174.94 173.44 3ghd s THR 77 N -0.73 2.31 0.39 8.37 2.01 -0.30 -4.87 115.64 122.82 3ghd s THR 77 Ca 0.26 -1.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 3ghd s THR 77 Cb -0.05 -1.84 -0.10 0.00 0.01 0.00 0.00 72.50 70.52 3ghd s THR 77 CO -0.15 0.58 1.39 -1.59 -0.69 0.00 0.00 174.62 174.15 3ghd s LYS 78 N -0.46 4.02 -0.35 4.92 0.00 -1.26 -1.49 119.74 125.12 3ghd s LYS 78 Ca 0.05 2.35 -0.33 0.00 0.00 0.00 0.00 55.97 58.04 3ghd s LYS 78 Cb -0.12 -2.86 -0.10 0.00 0.00 0.00 0.00 37.83 34.75 3ghd s LYS 78 CO 0.01 -0.52 2.22 -1.71 0.00 0.00 0.00 175.35 175.35 3ghd n ASN 79 N 0.29 2.28 0.00 0.03 5.15 -0.60 -4.81 115.26 117.60 3ghd n ASN 79 Ca 0.02 0.32 0.15 0.00 -0.60 0.00 0.00 54.58 54.48 3ghd n ASN 79 Cb 0.41 -1.32 0.80 0.00 -0.53 0.00 0.00 39.78 39.14 3ghd n ASN 79 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3ghd n PRO 80 N 8.35 0.55 -0.42 1.20 -0.04 -1.26 -3.38 135.00 140.00 3ghd n PRO 80 Ca 0.40 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 3ghd n PRO 80 Cb 0.28 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.47 3ghd n PRO 80 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3ghd n VAL 81 N -1.22 2.26 -1.84 0.52 0.24 -1.26 -5.03 118.33 111.99 3ghd n VAL 81 Ca 0.16 -2.01 -0.41 0.00 -2.04 0.00 0.00 64.34 60.04 3ghd n VAL 81 Cb 0.21 -0.26 -0.02 0.00 -1.47 0.00 0.00 33.84 32.30 3ghd n VAL 81 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3ghd s LYS 82 N -2.88 4.16 0.00 7.34 1.02 -1.22 -5.20 119.74 122.96 3ghd s LYS 82 Ca 0.41 2.51 0.01 0.00 0.02 0.00 0.00 55.97 58.92 3ghd s LYS 82 Cb 0.34 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 3ghd s LYS 82 CO 0.07 -0.57 0.53 -0.89 -0.92 0.00 0.00 175.35 173.57