#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 1.55 0.29 2.61 0.04 -1.26 -4.90 135.00 133.34 1don s PRO 2 Ca 0.00 0.20 -0.30 0.00 0.04 0.00 0.00 61.00 60.94 1don s PRO 2 Cb 0.00 -4.85 -0.13 0.00 0.04 0.00 0.00 34.50 29.56 1don s PRO 2 CO 0.00 -4.66 1.36 -0.40 0.04 0.00 0.00 177.00 173.35 1don n ASP 3 N 18.64 2.83 -0.84 6.66 5.75 -1.26 -3.89 116.55 144.45 1don n ASP 3 Ca 0.45 1.17 0.00 0.00 -0.01 0.00 0.00 54.79 56.40 1don n ASP 3 Cb 0.44 -1.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.07 1don n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1don n ALA 4 N 1.18 -0.62 0.46 2.12 0.00 -1.26 -4.99 120.51 117.40 1don n ALA 4 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.64 1don n ALA 4 Cb 0.34 -0.11 0.18 0.00 0.00 0.00 0.00 19.45 19.86 1don n ALA 4 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1don h ILE 5 N 0.00 0.00 -1.02 0.00 1.08 -2.00 -3.35 117.51 112.22 1don h ILE 5 Ca 0.00 -0.63 -0.73 0.00 -0.39 0.00 0.00 64.86 63.11 1don h ILE 5 Cb 0.56 1.32 -0.11 0.00 -3.07 0.00 0.00 36.82 35.52 1don h ILE 5 CO 0.00 0.00 2.58 -0.46 -0.69 0.00 0.00 178.15 179.58 1don n ASN 6 N -2.35 8.14 -4.68 1.72 6.94 -1.26 -4.93 115.26 118.84 1don n ASN 6 Ca 0.03 -3.08 -0.35 0.00 -0.02 0.00 0.00 54.58 51.16 1don n ASN 6 Cb 0.47 -1.38 -0.09 0.00 -2.36 0.00 0.00 39.78 36.41 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 -0.79 3.30 -0.55 -2.53 0.00 -1.26 -5.03 121.76 114.91 1don s ALA 7 Ca 0.56 -0.80 -0.27 0.00 0.00 0.00 0.00 51.96 51.45 1don s ALA 7 Cb 0.19 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1don s ALA 7 CO -0.09 0.58 2.01 -1.25 0.00 0.00 0.00 175.76 177.01 1don s PRO 8 N -0.86 2.55 -0.55 0.00 0.04 -1.26 -4.90 135.00 130.02 1don s PRO 8 Ca 0.13 0.92 -0.23 0.00 0.04 0.00 0.00 61.00 61.85 1don s PRO 8 Cb -0.11 -4.42 0.05 0.00 0.04 0.00 0.00 34.50 30.05 1don s PRO 8 CO 0.02 -2.80 0.88 0.54 0.04 0.00 0.00 177.00 175.69 1don s VAL 9 N 9.73 4.48 -0.34 -0.36 0.11 -1.26 -4.98 120.40 127.77 1don s VAL 9 Ca 0.77 0.12 -0.28 0.00 -2.93 0.00 0.00 61.98 59.65 1don s VAL 9 Cb -0.15 -4.50 -0.02 0.00 -1.53 0.00 0.00 36.38 30.18 1don s VAL 9 CO 0.23 -1.06 1.86 -0.89 -3.33 0.00 0.00 175.10 171.91 1don s THR 10 N 3.70 3.41 0.32 5.04 2.01 -1.26 -4.94 115.64 123.93 1don s THR 10 Ca 0.27 0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.71 1don s THR 10 Cb -0.14 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 1don s THR 10 CO 0.18 -0.39 0.12 0.00 -0.69 0.00 0.00 174.62 173.83 1don n TYR 13 N -0.74 0.00 -4.62 0.00 4.01 -1.26 -4.91 117.16 109.64 1don n TYR 13 Ca -0.10 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.36 1don n TYR 13 Cb 0.40 0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.62 2.67 -3.67 7.72 3.02 -1.26 -5.15 115.26 116.97 1don n ASN 14 Ca 0.00 -3.01 -0.13 0.00 -0.03 0.00 0.00 54.58 51.41 1don n ASN 14 Cb 0.05 0.50 -0.13 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.74 -0.41 -0.81 3.10 0.08 -1.26 -4.68 117.98 111.26 1don s PHE 15 Ca 0.06 0.94 -0.24 0.00 0.12 0.00 0.00 56.93 57.80 1don s PHE 15 Cb 0.00 -0.03 -0.18 0.00 -0.57 0.00 0.00 43.02 42.24 1don s PHE 15 CO 0.04 -0.34 2.46 -2.37 -0.10 0.00 0.00 175.22 174.91 1don n THR 16 N 5.21 -0.03 1.13 0.64 5.66 -0.49 -4.69 114.28 121.71 1don n THR 16 Ca -0.09 -0.43 0.10 0.00 -3.05 0.00 0.00 64.05 60.58 1don n THR 16 Cb 0.50 -1.36 0.33 0.00 -1.55 0.00 0.00 70.33 68.25 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 12.64 1.76 -4.78 1.09 0.23 -1.26 -4.63 115.26 120.30 1don n ASN 17 Ca 0.54 -1.78 -0.38 0.00 -0.53 0.00 0.00 54.58 52.44 1don n ASN 17 Cb 0.28 -0.14 -0.06 0.00 -2.08 0.00 0.00 39.78 37.78 1don n ASN 17 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1don s ARG 18 N -1.72 4.10 -0.78 -3.83 1.70 -1.26 -4.95 118.95 112.21 1don s ARG 18 Ca 0.31 0.38 -0.23 0.00 -0.47 0.00 0.00 55.73 55.71 1don s ARG 18 Cb 0.16 -3.32 -0.17 0.00 -0.57 0.00 0.00 34.95 31.06 1don s ARG 18 CO 0.24 0.45 2.39 1.63 -1.08 0.00 0.00 175.30 178.93 1don n LYS 19 N 2.67 0.51 -2.71 3.89 5.02 -1.26 -4.86 118.16 121.42 1don n LYS 19 Ca -0.11 -0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 55.27 1don n LYS 19 Cb 0.52 -3.02 -0.03 0.00 -0.02 0.00 0.00 35.03 32.48 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 11.28 4.83 -0.11 -0.18 1.01 -1.26 -4.94 121.20 131.83 1don s ILE 20 Ca 1.04 2.03 -0.40 0.00 0.00 0.00 0.00 60.65 63.32 1don s ILE 20 Cb -0.34 -4.31 -0.17 0.00 0.01 0.00 0.00 42.46 37.64 1don s ILE 20 CO 0.23 0.07 1.44 -0.24 0.00 0.00 0.00 174.94 176.44 1don n SER 21 N 4.53 1.49 0.30 3.58 2.88 -1.26 -4.75 113.62 120.40 1don n SER 21 Ca 0.07 1.12 0.18 0.00 -1.33 0.00 0.00 58.87 58.91 1don n SER 21 Cb 0.50 -1.09 0.90 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 4.02 0.09 -0.20 2.46 3.04 -1.95 0.12 116.25 123.83 1don h VAL 22 Ca -0.48 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.15 1don h VAL 22 Cb 1.35 0.76 -0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1don h VAL 22 CO 0.83 0.00 -0.13 0.06 -1.01 0.00 0.00 177.57 177.32 1don h GLN 23 N 0.00 0.43 -0.62 4.17 3.07 -2.01 -2.73 115.11 117.41 1don h GLN 23 Ca 0.03 -0.20 0.14 0.00 0.09 0.00 0.00 58.65 58.70 1don h GLN 23 Cb 0.53 -0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.05 1don h GLN 23 CO -0.00 0.75 0.43 0.00 0.09 0.00 0.00 178.83 180.09 1don h ARG 24 N 0.12 0.25 -5.85 0.06 2.47 -1.10 -3.35 114.38 106.97 1don h ARG 24 Ca 0.04 -0.01 -0.38 0.00 -1.26 0.00 0.00 59.98 58.36 1don h ARG 24 Cb 0.64 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.85 1don h ARG 24 CO 0.04 0.16 0.97 -0.51 0.56 0.00 0.00 179.97 181.19 1don s LEU 25 N -9.13 3.24 0.47 3.04 1.43 -1.03 -0.62 118.68 116.08 1don s LEU 25 Ca -0.07 -0.59 0.31 0.00 -1.03 0.00 0.00 54.13 52.75 1don s LEU 25 Cb 0.20 -2.56 1.32 0.00 0.03 0.00 0.00 46.19 45.18 1don s LEU 25 CO 0.75 -2.46 1.92 0.00 0.23 0.00 0.00 176.35 176.79 1don h ALA 26 N 11.69 1.00 -2.20 4.21 0.00 0.87 -3.47 119.26 131.37 1don h ALA 26 Ca 0.03 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.20 1don h ALA 26 Cb 1.04 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1don h ALA 26 CO 1.25 0.00 0.73 0.45 0.00 0.00 0.00 179.25 181.67 1don s SER 27 N -5.21 -0.02 -0.18 0.00 0.15 -0.09 -4.96 113.70 103.39 1don s SER 27 Ca 0.02 -0.40 -0.10 0.00 0.70 0.00 0.00 55.95 56.17 1don s SER 27 Cb 0.09 0.32 0.06 0.00 -1.71 0.00 0.00 66.02 64.79 1don s SER 27 CO 0.48 -0.63 0.44 -0.47 1.20 0.00 0.00 173.24 174.26 1don s TYR 28 N -2.25 -0.66 -0.60 3.44 6.14 -1.25 -0.21 117.35 121.95 1don s TYR 28 Ca 0.22 1.39 0.05 0.00 0.64 0.00 0.00 57.07 59.37 1don s TYR 28 Cb -0.01 0.30 0.18 0.00 0.42 0.00 0.00 41.96 42.86 1don s TYR 28 CO 0.01 -0.37 0.48 -2.13 0.64 0.00 0.00 175.55 174.18 1don n ARG 29 N 4.37 1.39 -1.28 4.97 0.63 -0.68 -4.86 116.66 121.20 1don n ARG 29 Ca -0.22 -4.08 -0.58 0.00 -0.92 0.00 0.00 57.85 52.04 1don n ARG 29 Cb 0.55 -2.06 -0.12 0.00 0.45 0.00 0.00 32.46 31.28 1don n ARG 29 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1don n ARG 30 N 2.06 0.08 -1.66 -0.14 0.63 -1.26 -2.89 116.66 113.48 1don n ARG 30 Ca 0.24 0.02 -0.31 0.00 -0.92 0.00 0.00 57.85 56.88 1don n ARG 30 Cb 0.40 -1.57 0.04 0.00 0.45 0.00 0.00 32.46 31.78 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 6.25 3.98 0.00 5.15 1.01 0.24 -4.89 121.20 132.94 1don s ILE 31 Ca 1.20 0.70 0.00 0.00 0.00 0.00 0.00 60.65 62.55 1don s ILE 31 Cb -1.44 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 37.64 1don s ILE 31 CO 0.64 -0.79 0.00 0.35 0.00 0.00 0.00 174.94 175.14 1don n THR 32 N -2.92 0.00 -1.85 2.92 -2.24 -1.26 -2.85 114.28 106.07 1don n THR 32 Ca 0.08 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.48 1don n THR 32 Cb 0.53 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.80 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 5.22 0.17 3.42 0.15 -1.26 -4.84 113.70 116.55 1don s SER 33 Ca 0.00 2.65 0.17 0.00 0.70 0.00 0.00 55.95 59.47 1don s SER 33 Cb 0.00 -2.63 0.77 0.00 -1.71 0.00 0.00 66.02 62.45 1don s SER 33 CO 0.00 -1.59 1.52 -0.24 1.20 0.00 0.00 173.24 174.12 1don n SER 34 N -1.20 0.37 0.00 5.45 2.88 -1.26 -1.67 113.62 118.18 1don n SER 34 Ca 0.11 0.62 0.11 0.00 -1.33 0.00 0.00 58.87 58.38 1don n SER 34 Cb 0.46 -0.69 -0.10 0.00 -0.75 0.00 0.00 64.21 63.13 1don n SER 34 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1don n LYS 35 N -1.94 0.28 -2.46 -1.46 0.00 -1.26 -4.92 118.16 106.39 1don n LYS 35 Ca 0.01 -0.07 -0.42 0.00 0.00 0.00 0.00 58.31 57.84 1don n LYS 35 Cb 0.13 -1.53 -0.03 0.00 0.00 0.00 0.00 35.03 33.60 1don n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1don h PRO 37 N 6.24 0.00 -2.80 0.00 0.13 -1.91 -3.43 132.00 130.23 1don h PRO 37 Ca -0.42 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.58 1don h PRO 37 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1don h PRO 37 CO 0.78 0.00 -0.27 0.15 -0.23 0.00 0.00 178.00 178.43 1don s LYS 38 N -3.71 0.44 0.98 0.86 3.01 -1.26 -5.16 119.74 114.91 1don s LYS 38 Ca -0.00 0.55 -0.16 0.00 -1.01 0.00 0.00 55.97 55.35 1don s LYS 38 Cb 0.10 0.21 0.19 0.00 -1.01 0.00 0.00 37.83 37.32 1don s LYS 38 CO 0.43 -0.06 1.25 -1.83 0.51 0.00 0.00 175.35 175.65 1don s GLU 39 N 0.27 0.52 -0.04 1.68 -1.05 -1.26 -4.63 118.70 114.18 1don s GLU 39 Ca -0.01 -0.21 -0.19 0.00 -0.15 0.00 0.00 54.97 54.42 1don s GLU 39 Cb -0.03 -1.81 0.06 0.00 -0.44 0.00 0.00 34.13 31.91 1don s GLU 39 CO -0.00 -2.53 0.83 0.00 0.95 0.00 0.00 175.26 174.52 1don n ALA 40 N -3.89 -2.38 -3.71 -0.84 0.00 -1.13 -4.88 120.51 103.66 1don n ALA 40 Ca 0.13 -0.47 -0.29 0.00 0.00 0.00 0.00 53.44 52.81 1don n ALA 40 Cb 0.60 0.04 -0.17 0.00 0.00 0.00 0.00 19.45 19.92 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 1.56 -1.27 0.00 1.01 -0.70 -0.59 120.40 118.38 1don s VAL 41 Ca 0.20 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 1don s VAL 41 Cb -0.00 -1.43 0.12 0.00 0.00 0.00 0.00 36.38 35.07 1don s VAL 41 CO -0.01 0.45 1.67 -0.38 0.00 0.00 0.00 175.10 176.83 1don n ILE 42 N 4.28 4.09 -1.92 2.22 2.08 -1.14 -0.97 119.36 127.99 1don n ILE 42 Ca -0.19 -4.32 -0.24 0.00 0.56 0.00 0.00 62.75 58.57 1don n ILE 42 Cb 0.51 -2.43 -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 2.47 1.68 -0.55 1.39 0.08 -0.68 -1.69 117.98 120.68 1don s PHE 43 Ca 0.47 1.01 -0.26 0.00 0.12 0.00 0.00 56.93 58.26 1don s PHE 43 Cb 0.03 -3.84 -0.06 0.00 -0.57 0.00 0.00 43.02 38.58 1don s PHE 43 CO 0.02 -1.37 2.25 0.15 -0.10 0.00 0.00 175.22 176.17 1don s LYS 44 N 7.29 2.21 0.00 0.44 1.02 0.71 -2.10 119.74 129.32 1don s LYS 44 Ca 0.74 1.09 0.00 0.00 0.02 0.00 0.00 55.97 57.82 1don s LYS 44 Cb -0.05 -4.56 0.00 0.00 -0.52 0.00 0.00 37.83 32.70 1don s LYS 44 CO 0.08 -3.22 0.00 0.25 -0.92 0.00 0.00 175.35 171.54 1don n THR 45 N 7.84 0.00 -0.00 2.17 -2.24 -1.21 0.10 114.28 120.94 1don n THR 45 Ca 0.33 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.06 1don n THR 45 Cb 0.53 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.72 1.40 0.47 2.28 -0.00 0.21 -2.79 119.36 120.22 1don n ILE 46 Ca 0.00 -0.75 0.04 0.00 -0.00 0.00 0.00 62.75 62.04 1don n ILE 46 Cb 0.00 -0.87 0.17 0.00 -0.00 0.00 0.00 39.64 38.93 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 0.92 -1.20 7.28 3.14 -1.26 -4.83 118.33 119.41 1don n VAL 47 Ca -0.14 -0.55 -0.07 0.00 -2.96 0.00 0.00 64.34 60.62 1don n VAL 47 Cb 0.96 -0.15 -0.03 0.00 -1.06 0.00 0.00 33.84 33.55 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 -0.11 -2.61 1.55 0.00 -1.23 -4.91 120.51 113.55 1don n ALA 48 Ca 0.12 0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 1don n ALA 48 Cb 0.52 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.31 3.94 -0.27 0.00 2.20 -1.26 -4.75 119.74 117.28 1don s LYS 49 Ca 0.00 -1.92 -0.35 0.00 -0.36 0.00 0.00 55.97 53.34 1don s LYS 49 Cb 0.00 -5.47 -0.12 0.00 -1.51 0.00 0.00 37.83 30.73 1don s LYS 49 CO 0.00 -2.21 2.06 0.39 -0.36 0.00 0.00 175.35 175.23 1don n GLU 50 N 8.23 1.42 -3.76 4.03 1.02 -1.26 -3.31 120.64 127.00 1don n GLU 50 Ca 0.45 0.45 -0.38 0.00 -0.02 0.00 0.00 57.16 57.67 1don n GLU 50 Cb 0.46 -2.51 -0.12 0.00 -0.02 0.00 0.00 31.44 29.25 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 6.09 3.70 0.13 -3.67 1.01 -0.89 -4.85 121.20 122.72 1don s ILE 51 Ca 1.03 -1.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.16 1don s ILE 51 Cb -0.81 -3.13 -0.10 0.00 0.01 0.00 0.00 42.46 38.44 1don s ILE 51 CO 0.51 -0.21 1.69 0.00 0.00 0.00 0.00 174.94 176.93 1don s ALA 53 N 2.05 1.16 -0.17 0.00 0.00 -0.14 -1.39 121.76 123.28 1don s ALA 53 Ca 0.75 -0.67 -0.29 0.00 0.00 0.00 0.00 51.96 51.75 1don s ALA 53 Cb -0.44 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 1don s ALA 53 CO 0.33 0.27 1.92 0.34 0.00 0.00 0.00 175.76 178.62 1don s ASP 54 N -0.58 6.04 0.36 0.00 2.15 -1.26 -1.72 116.67 121.67 1don s ASP 54 Ca 0.04 1.94 0.26 0.00 0.43 0.00 0.00 52.55 55.23 1don s ASP 54 Cb -0.06 -2.52 1.29 0.00 -0.30 0.00 0.00 42.92 41.32 1don s ASP 54 CO 0.00 -1.48 1.79 1.55 -0.17 0.00 0.00 175.17 176.86 1don h PRO 55 N 12.35 0.00 -0.48 4.34 0.13 -1.90 -1.64 132.00 144.80 1don h PRO 55 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1don h PRO 55 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1don h PRO 55 CO 0.97 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.37 1don n LYS 56 N -2.42 1.89 -2.45 0.86 5.02 -1.26 -4.65 118.16 115.16 1don n LYS 56 Ca -0.00 -1.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.05 1don n LYS 56 Cb 0.12 -1.41 0.05 0.00 -0.02 0.00 0.00 35.03 33.77 1don n LYS 56 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1don s GLN 57 N -1.64 2.43 0.05 1.97 -1.52 -0.62 -5.00 119.66 115.33 1don s GLN 57 Ca 0.18 -0.50 0.23 0.00 -1.95 0.00 0.00 55.36 53.32 1don s GLN 57 Cb 0.11 -2.34 0.08 0.00 -0.22 0.00 0.00 33.01 30.65 1don s GLN 57 CO 0.10 -0.93 1.07 1.17 -0.25 0.00 0.00 175.29 176.44 1don n LYS 58 N -2.60 0.25 -0.03 2.91 3.00 -1.26 -3.49 118.16 116.93 1don n LYS 58 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.36 1don n LYS 58 Cb 0.60 -1.58 -0.13 0.00 0.00 0.00 0.00 35.03 33.91 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 -1.90 0.41 0.85 5.64 4.27 -1.26 -3.87 117.44 121.58 1don n TRP 59 Ca 0.02 0.14 0.13 0.00 -3.89 0.00 0.00 57.50 53.91 1don n TRP 59 Cb 0.42 -0.94 0.50 0.00 -1.36 0.00 0.00 31.31 29.92 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 -2.72 0.23 0.11 -1.67 0.31 -1.26 -1.78 118.33 111.55 1don n VAL 60 Ca -0.18 -0.11 -0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1don n VAL 60 Cb 0.93 -0.46 -0.02 0.00 -0.91 0.00 0.00 33.84 33.38 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 1.08 -1.67 -0.52 115.11 119.62 1don h GLN 61 Ca 0.00 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.86 1don h GLN 61 Cb 0.60 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.99 1don h GLN 61 CO 0.00 0.59 -1.95 -0.25 -0.95 0.00 0.00 178.83 176.26 1don n ASP 62 N -3.21 1.48 0.01 1.46 8.00 -1.16 -3.64 116.55 119.49 1don n ASP 62 Ca -0.00 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.66 1don n ASP 62 Cb 0.80 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 1don n ASP 62 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1don h SER 63 N 0.03 -0.11 -0.81 -2.24 0.02 -1.43 -1.64 113.55 107.37 1don h SER 63 Ca -0.39 -0.39 0.24 0.00 -0.84 0.00 0.00 61.79 60.40 1don h SER 63 Cb 2.03 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 64.57 1don h SER 63 CO 0.07 0.53 0.69 -0.03 -1.14 0.00 0.00 176.83 176.94 1don h MET 64 N -0.94 0.00 0.16 3.45 1.85 -1.29 0.50 114.93 118.66 1don h MET 64 Ca -0.01 0.00 -0.32 0.00 -0.61 0.00 0.00 59.70 58.75 1don h MET 64 Cb 0.50 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.53 1don h MET 64 CO 0.02 0.00 -1.58 0.22 -0.40 0.00 0.00 176.91 175.18 1don h ASP 65 N 0.00 0.54 -0.11 1.39 3.58 -1.62 -0.54 116.42 119.66 1don h ASP 65 Ca 0.39 -0.72 0.03 0.00 0.42 0.00 0.00 57.03 57.15 1don h ASP 65 Cb 1.76 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.63 1don h ASP 65 CO -0.00 1.59 0.10 -0.74 -2.88 0.00 0.00 179.24 177.31 1don h HIS 66 N 0.09 0.00 0.00 0.28 2.76 0.96 0.37 115.15 119.61 1don h HIS 66 Ca -0.27 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.58 1don h HIS 66 Cb 2.07 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.97 1don h HIS 66 CO 0.09 0.00 -1.96 1.28 -1.30 0.00 0.00 177.93 176.04 1don n LEU 67 N -4.15 0.54 0.03 0.26 4.77 -0.50 -2.53 117.00 115.43 1don n LEU 67 Ca -0.00 0.26 0.07 0.00 -0.03 0.00 0.00 56.01 56.31 1don n LEU 67 Cb 0.21 0.29 0.31 0.00 -2.33 0.00 0.00 43.42 41.90 1don n LEU 67 CO 0.31 0.42 0.73 -0.67 -1.33 0.00 0.00 177.39 176.85 1don n ASP 68 N -2.93 0.14 -2.61 -1.43 -0.08 -0.21 -2.74 116.55 106.69 1don n ASP 68 Ca -0.23 0.54 0.01 0.00 -1.51 0.00 0.00 54.79 53.60 1don n ASP 68 Cb 1.08 -0.57 0.05 0.00 2.34 0.00 0.00 41.12 44.03 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 -1.66 1.43 -0.30 -0.67 2.85 -0.05 -4.83 118.16 114.93 1don n LYS 69 Ca 0.03 -3.17 0.06 0.00 -1.05 0.00 0.00 58.31 54.18 1don n LYS 69 Cb 0.16 -1.27 0.20 0.00 -0.65 0.00 0.00 35.03 33.47 1don n LYS 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1don n GLN 70 N -0.45 2.33 -0.85 -1.58 -0.00 -1.05 -3.95 117.38 111.83 1don n GLN 70 Ca 0.06 -1.62 -0.01 0.00 -0.00 0.00 0.00 57.00 55.43 1don n GLN 70 Cb 0.86 -1.49 -0.01 0.00 -0.00 0.00 0.00 30.24 29.59 1don n GLN 70 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1don n THR 71 N 0.66 0.00 -2.93 -0.39 5.66 -1.26 -5.02 114.28 110.99 1don n THR 71 Ca 0.15 -0.22 -0.44 0.00 -3.05 0.00 0.00 64.05 60.48 1don n THR 71 Cb 0.48 0.47 -0.01 0.00 -1.55 0.00 0.00 70.33 69.72 1don n THR 71 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1don s GLN 72 N 0.00 3.87 -0.12 1.09 -1.52 -1.25 -4.99 119.66 116.73 1don s GLN 72 Ca 0.08 -2.20 -0.06 0.00 -1.95 0.00 0.00 55.36 51.22 1don s GLN 72 Cb 0.09 -5.00 -0.04 0.00 -0.22 0.00 0.00 33.01 27.84 1don s GLN 72 CO -0.04 -1.77 0.11 0.99 -0.25 0.00 0.00 175.29 174.33 1don s THR 73 N 2.11 5.29 -0.23 -0.19 2.01 -1.26 -5.02 115.64 118.34 1don s THR 73 Ca 0.38 0.13 -0.28 0.00 0.31 0.00 0.00 61.69 62.23 1don s THR 73 Cb -0.04 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 1don s THR 73 CO -0.04 0.61 2.16 -2.16 -0.69 0.00 0.00 174.62 174.50 1don s PRO 74 N -0.93 3.16 0.43 4.92 0.05 -1.26 -4.68 135.00 136.69 1don s PRO 74 Ca 0.14 1.94 0.00 0.00 0.05 0.00 0.00 61.00 63.14 1don s PRO 74 Cb -0.12 -4.35 0.00 0.00 0.05 0.00 0.00 34.50 30.08 1don s PRO 74 CO 0.03 -2.07 0.00 1.17 0.05 0.00 0.00 177.00 176.18 1don n LYS 75 N 8.71 -2.89 0.00 4.56 4.81 -1.26 -5.33 118.16 126.76 1don n LYS 75 Ca 0.29 2.12 0.09 0.00 -0.87 0.00 0.00 58.31 59.93 1don n LYS 75 Cb 0.45 -3.49 0.07 0.00 0.02 0.00 0.00 35.03 32.08 1don n LYS 75 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98