#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1don s PRO 2 N 0.00 1.51 0.32 -1.09 0.02 -1.26 -4.89 135.00 129.60 1don s PRO 2 Ca 0.00 0.33 -0.29 0.00 0.02 0.00 0.00 61.00 61.06 1don s PRO 2 Cb 0.00 -4.82 -0.12 0.00 0.02 0.00 0.00 34.50 29.58 1don s PRO 2 CO 0.00 -4.66 1.33 -0.25 -0.33 0.00 0.00 177.00 173.09 1don n ASP 3 N 18.93 2.81 -1.94 2.53 8.00 -1.26 -3.49 116.55 142.13 1don n ASP 3 Ca 0.46 1.19 -0.03 0.00 0.71 0.00 0.00 54.79 57.12 1don n ASP 3 Cb 0.44 -1.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.07 1don n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1don n ALA 4 N 0.75 -1.17 0.08 2.24 0.00 -1.26 -4.97 120.51 116.17 1don n ALA 4 Ca 0.06 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.38 1don n ALA 4 Cb 0.35 -1.55 -0.07 0.00 0.00 0.00 0.00 19.45 18.18 1don n ALA 4 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1don h ILE 5 N -0.19 1.40 -0.71 0.00 6.09 -1.99 -3.31 117.51 118.80 1don h ILE 5 Ca -0.12 -2.54 -0.72 0.00 -1.37 0.00 0.00 64.86 60.11 1don h ILE 5 Cb 1.06 2.54 -0.07 0.00 0.47 0.00 0.00 36.82 40.82 1don h ILE 5 CO 0.11 0.76 2.94 -0.46 -3.07 0.00 0.00 178.15 178.42 1don n ASN 6 N -3.72 7.90 -4.60 2.19 6.94 -1.26 -4.91 115.26 117.80 1don n ASN 6 Ca -0.08 -2.92 -0.34 0.00 -0.02 0.00 0.00 54.58 51.22 1don n ASN 6 Cb 0.89 -1.45 -0.11 0.00 -2.36 0.00 0.00 39.78 36.74 1don n ASN 6 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1don s ALA 7 N 0.34 3.10 -0.56 -2.53 0.00 -1.25 -5.03 121.76 115.84 1don s ALA 7 Ca 0.58 -0.84 -0.26 0.00 0.00 0.00 0.00 51.96 51.44 1don s ALA 7 Cb 0.17 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1don s ALA 7 CO -0.07 0.48 2.10 -1.25 0.00 0.00 0.00 175.76 177.02 1don s PRO 8 N -0.52 2.39 -0.37 0.00 0.04 -1.26 -4.90 135.00 130.38 1don s PRO 8 Ca 0.08 0.96 -0.23 0.00 0.04 0.00 0.00 61.00 61.85 1don s PRO 8 Cb -0.12 -4.48 0.01 0.00 0.04 0.00 0.00 34.50 29.96 1don s PRO 8 CO 0.02 -2.98 0.78 0.54 0.04 0.00 0.00 177.00 175.40 1don s VAL 9 N 10.47 4.73 -0.47 -0.36 0.11 -1.26 -4.99 120.40 128.62 1don s VAL 9 Ca 0.81 0.82 -0.28 0.00 -2.93 0.00 0.00 61.98 60.40 1don s VAL 9 Cb -0.15 -4.22 0.01 0.00 -1.53 0.00 0.00 36.38 30.49 1don s VAL 9 CO 0.23 -0.47 1.45 -0.89 -3.33 0.00 0.00 175.10 172.10 1don s THR 10 N 3.12 3.82 0.18 5.04 2.01 -1.26 -4.96 115.64 123.58 1don s THR 10 Ca 0.31 0.78 0.01 0.00 0.31 0.00 0.00 61.69 63.10 1don s THR 10 Cb -0.13 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 1don s THR 10 CO 0.18 -0.89 0.05 0.00 -0.69 0.00 0.00 174.62 173.27 1don n TYR 13 N -0.51 0.00 -4.14 0.00 4.01 -1.26 -4.95 117.16 110.32 1don n TYR 13 Ca -0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.59 1don n TYR 13 Cb 0.29 0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 1don n TYR 13 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1don n ASN 14 N -1.68 2.29 -3.58 7.72 3.02 -1.26 -5.15 115.26 116.62 1don n ASN 14 Ca 0.00 -1.61 -0.09 0.00 -0.03 0.00 0.00 54.58 52.85 1don n ASN 14 Cb 0.02 0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 1don n ASN 14 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1don s PHE 15 N -1.42 -0.74 -0.83 3.10 0.08 -1.26 -4.70 117.98 112.20 1don s PHE 15 Ca 0.01 1.25 -0.24 0.00 0.12 0.00 0.00 56.93 58.07 1don s PHE 15 Cb -0.00 0.17 -0.19 0.00 -0.57 0.00 0.00 43.02 42.43 1don s PHE 15 CO 0.01 -0.53 2.47 -2.37 -0.10 0.00 0.00 175.22 174.70 1don n THR 16 N 5.38 -0.02 1.10 0.64 5.66 -0.56 -4.69 114.28 121.78 1don n THR 16 Ca -0.07 -0.39 0.10 0.00 -3.05 0.00 0.00 64.05 60.64 1don n THR 16 Cb 0.50 -1.23 0.33 0.00 -1.55 0.00 0.00 70.33 68.38 1don n THR 16 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1don n ASN 17 N 12.14 1.86 -4.76 1.09 0.23 -1.26 -4.62 115.26 119.94 1don n ASN 17 Ca 0.56 -1.77 -0.38 0.00 -0.53 0.00 0.00 54.58 52.46 1don n ASN 17 Cb 0.25 -0.14 -0.06 0.00 -2.08 0.00 0.00 39.78 37.75 1don n ASN 17 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1don s ARG 18 N -1.73 4.21 -0.79 -3.83 0.52 -1.26 -4.94 118.95 111.13 1don s ARG 18 Ca 0.32 0.42 -0.23 0.00 -0.52 0.00 0.00 55.73 55.72 1don s ARG 18 Cb 0.17 -3.37 -0.17 0.00 0.52 0.00 0.00 34.95 32.10 1don s ARG 18 CO 0.25 0.33 2.39 1.63 0.02 0.00 0.00 175.30 179.92 1don n LYS 19 N 3.06 0.49 -2.71 3.54 5.02 -1.26 -4.86 118.16 121.45 1don n LYS 19 Ca -0.10 -0.43 -0.42 0.00 -2.02 0.00 0.00 58.31 55.34 1don n LYS 19 Cb 0.52 -2.90 -0.03 0.00 -0.02 0.00 0.00 35.03 32.60 1don n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1don s ILE 20 N 10.75 4.83 -0.14 -0.18 1.01 -1.26 -4.94 121.20 131.26 1don s ILE 20 Ca 1.06 2.03 -0.40 0.00 0.00 0.00 0.00 60.65 63.34 1don s ILE 20 Cb -0.39 -4.31 -0.18 0.00 0.01 0.00 0.00 42.46 37.60 1don s ILE 20 CO 0.25 0.08 1.46 -0.24 0.00 0.00 0.00 174.94 176.49 1don n SER 21 N 4.51 1.51 0.30 3.58 2.88 -1.26 -4.74 113.62 120.39 1don n SER 21 Ca 0.07 1.12 0.17 0.00 -1.33 0.00 0.00 58.87 58.91 1don n SER 21 Cb 0.50 -1.07 0.89 0.00 -0.75 0.00 0.00 64.21 63.77 1don n SER 21 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1don h VAL 22 N 4.15 0.09 -0.19 2.46 3.04 -1.95 0.12 116.25 123.97 1don h VAL 22 Ca -0.47 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.16 1don h VAL 22 Cb 1.35 0.74 -0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1don h VAL 22 CO 0.85 0.00 -0.12 0.06 -1.01 0.00 0.00 177.57 177.34 1don h GLN 23 N 0.00 0.41 -0.65 4.17 3.07 -2.01 -2.76 115.11 117.34 1don h GLN 23 Ca 0.03 -0.19 0.14 0.00 0.09 0.00 0.00 58.65 58.71 1don h GLN 23 Cb 0.57 -0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.08 1don h GLN 23 CO -0.00 0.73 0.44 0.00 0.09 0.00 0.00 178.83 180.09 1don h ARG 24 N 0.09 0.27 -5.82 0.06 2.47 -1.09 -3.35 114.38 107.02 1don h ARG 24 Ca 0.04 -0.02 -0.37 0.00 -1.26 0.00 0.00 59.98 58.37 1don h ARG 24 Cb 0.63 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.83 1don h ARG 24 CO 0.03 0.18 0.94 -0.51 0.56 0.00 0.00 179.97 181.17 1don s LEU 25 N -9.17 3.23 0.52 3.04 1.43 -1.04 -0.65 118.68 116.03 1don s LEU 25 Ca -0.07 -0.59 0.33 0.00 -1.03 0.00 0.00 54.13 52.78 1don s LEU 25 Cb 0.20 -2.56 1.42 0.00 0.03 0.00 0.00 46.19 45.29 1don s LEU 25 CO 0.75 -2.52 1.98 0.00 0.23 0.00 0.00 176.35 176.80 1don h ALA 26 N 11.71 1.00 -2.22 4.21 0.00 0.82 -3.47 119.26 131.31 1don h ALA 26 Ca 0.04 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.19 1don h ALA 26 Cb 1.03 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1don h ALA 26 CO 1.24 0.00 0.71 0.45 0.00 0.00 0.00 179.25 181.65 1don s SER 27 N -5.39 -0.02 -0.18 0.00 0.15 -0.15 -4.96 113.70 103.15 1don s SER 27 Ca 0.01 -0.42 -0.09 0.00 0.70 0.00 0.00 55.95 56.15 1don s SER 27 Cb 0.09 0.33 0.07 0.00 -1.71 0.00 0.00 66.02 64.81 1don s SER 27 CO 0.50 -0.66 0.43 -0.47 1.20 0.00 0.00 173.24 174.24 1don s TYR 28 N -2.26 -0.68 -0.63 3.44 6.14 -1.25 -0.30 117.35 121.80 1don s TYR 28 Ca 0.22 1.40 0.05 0.00 0.64 0.00 0.00 57.07 59.38 1don s TYR 28 Cb -0.01 0.30 0.18 0.00 0.42 0.00 0.00 41.96 42.85 1don s TYR 28 CO 0.02 -0.39 0.49 0.54 0.64 0.00 0.00 175.55 176.85 1don n ARG 29 N 4.58 1.52 -1.29 4.97 1.74 -0.69 -4.86 116.66 122.63 1don n ARG 29 Ca -0.19 -4.19 -0.59 0.00 -0.77 0.00 0.00 57.85 52.11 1don n ARG 29 Cb 0.54 -2.12 -0.11 0.00 -1.02 0.00 0.00 32.46 29.75 1don n ARG 29 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1don n ARG 30 N 2.00 0.13 -1.57 5.56 0.63 -1.26 -2.94 116.66 119.20 1don n ARG 30 Ca 0.23 0.03 -0.31 0.00 -0.92 0.00 0.00 57.85 56.88 1don n ARG 30 Cb 0.39 -1.61 0.05 0.00 0.45 0.00 0.00 32.46 31.74 1don n ARG 30 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1don s ILE 31 N 6.04 3.90 0.00 5.15 1.01 0.13 -4.89 121.20 132.54 1don s ILE 31 Ca 1.18 0.64 0.00 0.00 0.00 0.00 0.00 60.65 62.48 1don s ILE 31 Cb -1.43 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 37.72 1don s ILE 31 CO 0.65 -0.78 0.00 0.35 0.00 0.00 0.00 174.94 175.16 1don n THR 32 N -3.08 0.00 -1.85 2.92 -2.24 -1.26 -2.96 114.28 105.81 1don n THR 32 Ca 0.08 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.49 1don n THR 32 Cb 0.53 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.82 1don n THR 32 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1don s SER 33 N 0.00 4.84 0.03 3.42 0.15 -1.26 -4.85 113.70 116.03 1don s SER 33 Ca 0.00 2.54 0.12 0.00 0.70 0.00 0.00 55.95 59.31 1don s SER 33 Cb 0.00 -2.61 0.52 0.00 -1.71 0.00 0.00 66.02 62.22 1don s SER 33 CO 0.00 -1.84 1.39 -0.24 1.20 0.00 0.00 173.24 173.75 1don n SER 34 N -1.75 0.06 -0.00 5.45 2.88 -1.26 -1.95 113.62 117.04 1don n SER 34 Ca 0.15 0.52 0.10 0.00 -1.33 0.00 0.00 58.87 58.30 1don n SER 34 Cb 0.49 -0.53 -0.13 0.00 -0.75 0.00 0.00 64.21 63.29 1don n SER 34 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1don n LYS 35 N -1.57 0.55 -2.48 -1.46 4.76 -1.26 -4.94 118.16 111.76 1don n LYS 35 Ca 0.03 -0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 54.98 1don n LYS 35 Cb 0.13 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 1don n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1don h PRO 37 N 5.84 0.00 -2.80 0.00 0.13 -1.92 -3.44 132.00 129.81 1don h PRO 37 Ca -0.43 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.57 1don h PRO 37 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.11 1don h PRO 37 CO 0.76 0.00 -0.25 0.15 -0.23 0.00 0.00 178.00 178.43 1don s LYS 38 N -3.78 0.48 1.04 0.86 1.02 -1.26 -5.16 119.74 112.94 1don s LYS 38 Ca -0.01 0.47 -0.17 0.00 0.02 0.00 0.00 55.97 56.29 1don s LYS 38 Cb 0.10 0.23 0.22 0.00 -0.52 0.00 0.00 37.83 37.86 1don s LYS 38 CO 0.48 -0.07 1.22 -1.21 -0.92 0.00 0.00 175.35 174.85 1don s GLU 39 N 0.05 0.06 -0.04 1.68 2.02 -1.26 -4.67 118.70 116.54 1don s GLU 39 Ca -0.01 -0.20 -0.23 0.00 0.02 0.00 0.00 54.97 54.54 1don s GLU 39 Cb -0.03 -1.76 0.08 0.00 0.10 0.00 0.00 34.13 32.52 1don s GLU 39 CO 0.01 -2.84 1.05 0.00 0.02 0.00 0.00 175.26 173.50 1don n ALA 40 N -4.11 -2.98 -3.80 5.21 0.00 -1.16 -4.89 120.51 108.78 1don n ALA 40 Ca 0.13 -0.62 -0.30 0.00 0.00 0.00 0.00 53.44 52.66 1don n ALA 40 Cb 0.59 0.08 -0.17 0.00 0.00 0.00 0.00 19.45 19.96 1don n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1don s VAL 41 N -2.03 1.64 -1.28 0.00 1.01 -0.60 -0.69 120.40 118.45 1don s VAL 41 Ca 0.25 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1don s VAL 41 Cb -0.00 -1.50 0.12 0.00 0.00 0.00 0.00 36.38 35.00 1don s VAL 41 CO -0.01 0.47 1.67 -0.38 0.00 0.00 0.00 175.10 176.85 1don n ILE 42 N 4.40 4.07 -1.95 2.22 2.08 -1.15 -0.91 119.36 128.11 1don n ILE 42 Ca -0.19 -4.29 -0.24 0.00 0.56 0.00 0.00 62.75 58.59 1don n ILE 42 Cb 0.51 -2.42 -0.07 0.00 -0.75 0.00 0.00 39.64 36.91 1don n ILE 42 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1don s PHE 43 N 2.71 1.72 -0.56 1.39 0.08 -0.69 -1.71 117.98 120.92 1don s PHE 43 Ca 0.48 0.93 -0.26 0.00 0.12 0.00 0.00 56.93 58.20 1don s PHE 43 Cb 0.03 -3.87 -0.06 0.00 -0.57 0.00 0.00 43.02 38.55 1don s PHE 43 CO 0.03 -1.37 2.23 0.15 -0.10 0.00 0.00 175.22 176.16 1don s LYS 44 N 7.18 2.23 0.00 0.44 1.02 0.59 -2.04 119.74 129.17 1don s LYS 44 Ca 0.73 1.07 0.00 0.00 0.02 0.00 0.00 55.97 57.79 1don s LYS 44 Cb -0.05 -4.55 0.00 0.00 -0.52 0.00 0.00 37.83 32.71 1don s LYS 44 CO 0.08 -3.19 0.00 0.25 -0.92 0.00 0.00 175.35 171.57 1don n THR 45 N 7.80 0.00 -0.01 2.17 -2.24 -1.20 0.10 114.28 120.91 1don n THR 45 Ca 0.32 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.05 1don n THR 45 Cb 0.53 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.64 1don n THR 45 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1don n ILE 46 N -0.69 1.41 0.49 2.28 -0.00 0.17 -2.79 119.36 120.23 1don n ILE 46 Ca 0.00 -0.76 0.04 0.00 -0.00 0.00 0.00 62.75 62.03 1don n ILE 46 Cb 0.00 -0.86 0.16 0.00 -0.00 0.00 0.00 39.64 38.94 1don n ILE 46 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 176.55 177.10 1don n VAL 47 N -2.95 0.90 -1.18 7.28 3.14 -1.26 -4.83 118.33 119.42 1don n VAL 47 Ca -0.15 -0.54 -0.06 0.00 -2.96 0.00 0.00 64.34 60.62 1don n VAL 47 Cb 0.97 -0.15 -0.03 0.00 -1.06 0.00 0.00 33.84 33.58 1don n VAL 47 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1don n ALA 48 N 0.35 -0.10 -2.59 1.55 0.00 -1.23 -4.92 120.51 113.58 1don n ALA 48 Ca 0.12 0.10 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 1don n ALA 48 Cb 0.51 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 1don n ALA 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1don s LYS 49 N -2.19 3.90 -0.25 0.00 2.20 -1.26 -4.75 119.74 117.39 1don s LYS 49 Ca 0.00 -1.81 -0.34 0.00 -0.36 0.00 0.00 55.97 53.46 1don s LYS 49 Cb 0.00 -5.48 -0.11 0.00 -1.51 0.00 0.00 37.83 30.73 1don s LYS 49 CO 0.00 -2.23 2.07 0.39 -0.36 0.00 0.00 175.35 175.22 1don n GLU 50 N 8.44 1.55 -3.74 4.03 1.02 -1.26 -3.25 120.64 127.42 1don n GLU 50 Ca 0.45 0.49 -0.38 0.00 -0.02 0.00 0.00 57.16 57.70 1don n GLU 50 Cb 0.47 -2.62 -0.12 0.00 -0.02 0.00 0.00 31.44 29.15 1don n GLU 50 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1don s ILE 51 N 6.27 3.74 0.14 -3.67 1.01 -0.86 -4.85 121.20 122.98 1don s ILE 51 Ca 1.02 -1.31 -0.31 0.00 0.00 0.00 0.00 60.65 60.05 1don s ILE 51 Cb -0.74 -3.20 -0.10 0.00 0.01 0.00 0.00 42.46 38.43 1don s ILE 51 CO 0.49 -0.29 1.72 0.00 0.00 0.00 0.00 174.94 176.86 1don s ALA 53 N 2.08 1.21 -0.18 0.00 0.00 -0.09 -1.50 121.76 123.28 1don s ALA 53 Ca 0.76 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 1don s ALA 53 Cb -0.45 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1don s ALA 53 CO 0.34 0.24 1.82 0.34 0.00 0.00 0.00 175.76 178.49 1don s ASP 54 N -1.08 6.16 0.38 0.00 2.15 -1.26 -1.56 116.67 121.46 1don s ASP 54 Ca 0.02 1.84 0.27 0.00 0.43 0.00 0.00 52.55 55.12 1don s ASP 54 Cb -0.08 -2.53 1.35 0.00 -0.30 0.00 0.00 42.92 41.36 1don s ASP 54 CO 0.01 -1.41 1.83 1.55 -0.17 0.00 0.00 175.17 176.98 1don h PRO 55 N 11.79 0.00 -0.64 4.34 0.13 -1.90 -1.58 132.00 144.14 1don h PRO 55 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1don h PRO 55 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1don h PRO 55 CO 0.98 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.38 1don n LYS 56 N -2.47 2.41 -2.47 0.86 4.01 -1.26 -4.66 118.16 114.58 1don n LYS 56 Ca -0.00 -1.35 -0.24 0.00 -0.51 0.00 0.00 58.31 56.21 1don n LYS 56 Cb 0.12 -1.63 0.05 0.00 -0.51 0.00 0.00 35.03 33.05 1don n LYS 56 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1don s GLN 57 N -1.71 2.48 0.08 1.97 -1.52 -0.60 -5.00 119.66 115.36 1don s GLN 57 Ca 0.24 -0.48 0.23 0.00 -1.95 0.00 0.00 55.36 53.40 1don s GLN 57 Cb 0.16 -2.35 0.05 0.00 -0.22 0.00 0.00 33.01 30.65 1don s GLN 57 CO 0.10 -0.89 1.02 1.17 -0.25 0.00 0.00 175.29 176.45 1don n LYS 58 N -2.57 0.37 -0.04 2.91 3.00 -1.26 -3.46 118.16 117.10 1don n LYS 58 Ca 0.07 0.01 -0.04 0.00 -0.00 0.00 0.00 58.31 58.35 1don n LYS 58 Cb 0.60 -1.64 -0.14 0.00 0.00 0.00 0.00 35.03 33.85 1don n LYS 58 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 1don n TRP 59 N -2.12 0.44 0.94 5.64 4.27 -1.26 -3.85 117.44 121.51 1don n TRP 59 Ca 0.01 0.15 0.14 0.00 -3.89 0.00 0.00 57.50 53.91 1don n TRP 59 Cb 0.46 -0.99 0.59 0.00 -1.36 0.00 0.00 31.31 30.01 1don n TRP 59 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 1don n VAL 60 N -2.78 0.10 0.09 -1.67 0.31 -1.26 -1.75 118.33 111.37 1don n VAL 60 Ca -0.20 -0.02 -0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1don n VAL 60 Cb 0.98 -0.53 -0.03 0.00 -0.91 0.00 0.00 33.84 33.35 1don n VAL 60 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1don h GLN 61 N 0.00 0.00 0.06 5.55 4.20 -1.66 -0.68 115.11 122.57 1don h GLN 61 Ca 0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 1don h GLN 61 Cb 0.52 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 1don h GLN 61 CO 0.00 0.53 -1.89 -3.47 -0.67 0.00 0.00 178.83 173.33 1don n ASP 62 N -3.15 1.43 -0.02 1.46 -0.08 -1.13 -3.56 116.55 111.51 1don n ASP 62 Ca -0.02 0.29 -0.10 0.00 -1.51 0.00 0.00 54.79 53.45 1don n ASP 62 Cb 0.81 -0.39 -0.09 0.00 2.34 0.00 0.00 41.12 43.80 1don n ASP 62 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1don h SER 63 N 0.03 -0.06 -0.64 1.67 0.02 -1.43 -1.63 113.55 111.51 1don h SER 63 Ca -0.37 -0.55 0.18 0.00 -0.84 0.00 0.00 61.79 60.21 1don h SER 63 Cb 2.03 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 64.56 1don h SER 63 CO 0.08 0.65 0.58 -0.03 -1.14 0.00 0.00 176.83 176.97 1don h MET 64 N -0.91 0.00 0.15 3.45 1.85 -1.31 0.45 114.93 118.61 1don h MET 64 Ca -0.01 0.00 -0.32 0.00 -0.61 0.00 0.00 59.70 58.76 1don h MET 64 Cb 0.62 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.65 1don h MET 64 CO 0.01 0.00 -1.57 0.22 -0.40 0.00 0.00 176.91 175.17 1don h ASP 65 N 0.00 0.50 -0.02 1.39 3.58 -1.60 -0.15 116.42 120.13 1don h ASP 65 Ca 0.30 -0.68 0.01 0.00 0.42 0.00 0.00 57.03 57.08 1don h ASP 65 Cb 1.47 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.35 1don h ASP 65 CO -0.00 1.56 0.02 -0.74 -2.88 0.00 0.00 179.24 177.20 1don h HIS 66 N 0.09 0.00 0.00 0.28 2.76 0.87 -0.66 115.15 118.49 1don h HIS 66 Ca -0.27 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.63 1don h HIS 66 Cb 2.05 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.96 1don h HIS 66 CO 0.08 0.00 -1.98 1.28 -1.30 0.00 0.00 177.93 176.01 1don n LEU 67 N -4.10 0.40 0.07 0.26 4.77 -0.44 -3.32 117.00 114.65 1don n LEU 67 Ca -0.03 0.19 0.08 0.00 -0.03 0.00 0.00 56.01 56.22 1don n LEU 67 Cb 0.11 0.28 0.37 0.00 -2.33 0.00 0.00 43.42 41.85 1don n LEU 67 CO 0.30 0.36 0.75 -0.67 -1.33 0.00 0.00 177.39 176.80 1don n ASP 68 N -2.81 0.32 -1.24 -1.43 -0.08 -0.07 -2.20 116.55 109.03 1don n ASP 68 Ca -0.21 0.60 0.02 0.00 -1.51 0.00 0.00 54.79 53.68 1don n ASP 68 Cb 1.02 -0.66 0.11 0.00 2.34 0.00 0.00 41.12 43.93 1don n ASP 68 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1don n LYS 69 N -1.87 1.10 -1.42 -0.67 2.85 -0.40 -4.72 118.16 113.03 1don n LYS 69 Ca 0.02 -2.85 -0.01 0.00 -1.05 0.00 0.00 58.31 54.42 1don n LYS 69 Cb 0.15 -1.00 -0.01 0.00 -0.65 0.00 0.00 35.03 33.51 1don n LYS 69 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1don n GLN 70 N -0.38 0.15 -1.43 -1.58 1.13 -0.93 -4.88 117.38 109.45 1don n GLN 70 Ca 0.15 -1.65 -0.02 0.00 -1.94 0.00 0.00 57.00 53.54 1don n GLN 70 Cb 0.91 0.13 -0.01 0.00 0.11 0.00 0.00 30.24 31.38 1don n GLN 70 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1don n THR 71 N 0.16 0.07 -3.74 5.09 5.66 -1.22 -4.96 114.28 115.34 1don n THR 71 Ca -0.08 -0.66 -0.12 0.00 -3.05 0.00 0.00 64.05 60.14 1don n THR 71 Cb 0.94 0.79 -0.07 0.00 -1.55 0.00 0.00 70.33 70.44 1don n THR 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1don s GLN 72 N -0.22 0.84 -0.03 1.09 -2.07 -1.26 -5.11 119.66 112.90 1don s GLN 72 Ca 0.17 -0.51 -0.14 0.00 -1.82 0.00 0.00 55.36 53.06 1don s GLN 72 Cb 0.21 0.36 -0.05 0.00 -1.09 0.00 0.00 33.01 32.44 1don s GLN 72 CO -0.08 -0.27 0.36 0.99 -1.32 0.00 0.00 175.29 174.96 1don s THR 73 N -2.64 5.12 0.88 3.63 2.01 -1.26 -5.06 115.64 118.32 1don s THR 73 Ca -0.04 0.73 -0.11 0.00 0.31 0.00 0.00 61.69 62.58 1don s THR 73 Cb -0.01 -3.66 0.13 0.00 0.01 0.00 0.00 72.50 68.97 1don s THR 73 CO -0.04 0.57 1.15 -2.16 -0.69 0.00 0.00 174.62 173.45 1don s PRO 74 N -0.97 1.25 1.24 4.92 0.04 -1.26 -4.75 135.00 135.47 1don s PRO 74 Ca 0.22 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1don s PRO 74 Cb -0.16 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1don s PRO 74 CO 0.11 -2.46 0.00 1.63 0.04 0.00 0.00 177.00 176.32 1don n LYS 75 N -4.03 -0.51 0.00 4.56 5.02 -1.26 -5.31 118.16 116.63 1don n LYS 75 Ca 0.12 0.34 0.12 0.00 -2.02 0.00 0.00 58.31 56.86 1don n LYS 75 Cb 0.52 -0.63 0.10 0.00 -0.02 0.00 0.00 35.03 35.00 1don n LYS 75 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13