#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 1.66 -0.37 2.61 0.02 -1.26 -4.79 135.00 132.88 1don s PRO 2 Ca 0.00 0.42 -0.04 0.00 0.02 0.00 0.00 61.00 61.39 1don s PRO 2 Cb 0.00 -4.81 -0.00 0.00 0.02 0.00 0.00 34.50 29.71 1don s PRO 2 CO 0.00 -4.39 2.93 -3.47 -0.33 0.00 0.00 177.00 171.74 1don n ASP 3 N 18.37 6.23 -2.68 2.53 2.03 -1.26 -4.39 116.55 137.39 1don n ASP 3 Ca 0.46 -3.06 -0.04 0.00 0.52 0.00 0.00 54.79 52.67 1don n ASP 3 Cb 0.43 -1.27 0.05 0.00 -0.72 0.00 0.00 41.12 39.62 1don n ASP 3 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1don n ALA 4 N 1.18 -3.51 0.60 -1.67 0.00 -1.26 -5.01 120.51 110.84 1don n ALA 4 Ca 0.48 -0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.82 1don n ALA 4 Cb 0.62 -3.11 -0.06 0.00 0.00 0.00 0.00 19.45 16.90 1don n ALA 4 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1don n ILE 5 N 2.08 0.07 -2.03 0.00 5.41 -1.26 -4.39 119.36 119.24 1don n ILE 5 Ca 0.07 -0.21 -0.40 0.00 1.00 0.00 0.00 62.75 63.21 1don n ILE 5 Cb 0.67 0.43 -0.00 0.00 -0.71 0.00 0.00 39.64 40.03 1don n ILE 5 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1don n ASN 6 N -1.86 7.56 -4.61 4.38 6.94 -1.26 -4.94 115.26 121.47 1don n ASN 6 Ca 0.01 -3.12 -0.33 0.00 -0.02 0.00 0.00 54.58 51.12 1don n ASN 6 Cb 0.43 -1.39 -0.10 0.00 -2.36 0.00 0.00 39.78 36.36 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 3.08 -0.60 -2.53 0.00 -1.26 -5.04 121.76 114.62 1don s ALA 7 Ca 0.52 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 51.29 1don s ALA 7 Cb 0.17 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 1don s ALA 7 CO -0.08 0.60 1.92 -1.25 0.00 0.00 0.00 175.76 176.95 1don s PRO 8 N -1.09 2.57 -0.57 0.00 0.04 -1.26 -4.91 135.00 129.77 1don s PRO 8 Ca 0.15 0.68 -0.23 0.00 0.04 0.00 0.00 61.00 61.64 1don s PRO 8 Cb -0.11 -4.42 0.05 0.00 0.04 0.00 0.00 34.50 30.06 1don s PRO 8 CO 0.04 -2.80 0.90 0.54 0.04 0.00 0.00 177.00 175.72 1don s VAL 9 N 9.42 4.45 -0.34 -0.36 0.11 -1.26 -4.98 120.40 127.44 1don s VAL 9 Ca 0.70 0.02 -0.28 0.00 -2.93 0.00 0.00 61.98 59.49 1don s VAL 9 Cb -0.13 -4.54 -0.03 0.00 -1.53 0.00 0.00 36.38 30.16 1don s VAL 9 CO 0.21 -1.15 1.91 -0.89 -3.33 0.00 0.00 175.10 171.85 1don s THR 10 N 3.78 3.36 0.23 5.04 2.01 -1.26 -4.94 115.64 123.86 1don s THR 10 Ca 0.26 0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.63 1don s THR 10 Cb -0.15 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1don s THR 10 CO 0.16 -0.37 0.08 0.00 -0.69 0.00 0.00 174.62 173.80 1don n TYR 13 N -0.48 0.00 -4.03 0.00 4.01 -1.26 -4.92 117.16 110.48 1don n TYR 13 Ca -0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.62 1don n TYR 13 Cb 0.27 0.24 -0.01 0.00 -0.31 0.00 0.00 39.34 39.53 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 -2.11 2.08 -3.67 7.72 3.02 -1.26 -5.15 115.26 115.89 1don n ASN 14 Ca 0.00 -1.44 -0.11 0.00 -0.03 0.00 0.00 54.58 52.99 1don n ASN 14 Cb 0.05 0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.19 -0.59 -0.76 3.10 0.40 -1.25 -4.70 117.98 112.98 1don s PHE 15 Ca 0.01 1.22 -0.26 0.00 -0.60 0.00 0.00 56.93 57.30 1don s PHE 15 Cb -0.00 0.13 -0.16 0.00 0.51 0.00 0.00 43.02 43.50 1don s PHE 15 CO 0.01 -0.40 2.50 -2.37 0.70 0.00 0.00 175.22 175.65 1don n THR 16 N 5.26 -0.04 0.87 0.64 5.66 -1.24 -4.70 114.28 120.74 1don n THR 16 Ca -0.09 -0.45 0.10 0.00 -3.05 0.00 0.00 64.05 60.56 1don n THR 16 Cb 0.50 -1.60 0.29 0.00 -1.55 0.00 0.00 70.33 67.97 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 13.26 2.19 -4.78 1.09 0.23 -1.26 -4.65 115.26 121.33 1don n ASN 17 Ca 0.52 -1.85 -0.37 0.00 -0.53 0.00 0.00 54.58 52.34 1don n ASN 17 Cb 0.30 -0.19 -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 -1.62 4.05 -0.78 -3.83 0.52 -1.26 -4.95 118.95 111.07 1don s ARG 18 Ca 0.32 0.24 -0.23 0.00 -0.52 0.00 0.00 55.73 55.54 1don s ARG 18 Cb 0.18 -3.33 -0.17 0.00 0.52 0.00 0.00 34.95 32.15 1don s ARG 18 CO 0.25 0.45 2.40 1.63 0.02 0.00 0.00 175.30 180.05 1don n LYS 19 N 2.77 0.50 -2.73 3.54 5.02 -1.26 -4.85 118.16 121.14 1don n LYS 19 Ca -0.13 -0.38 -0.42 0.00 -2.02 0.00 0.00 58.31 55.35 1don n LYS 19 Cb 0.52 -2.85 -0.03 0.00 -0.02 0.00 0.00 35.03 32.65 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 10.60 4.77 0.00 -0.18 1.01 -1.26 -4.96 121.20 131.18 1don s ILE 20 Ca 1.07 1.93 -0.38 0.00 0.00 0.00 0.00 60.65 63.27 1don s ILE 20 Cb -0.41 -4.26 -0.17 0.00 0.01 0.00 0.00 42.46 37.63 1don s ILE 20 CO 0.27 -0.06 1.39 -0.24 0.00 0.00 0.00 174.94 176.30 1don n SER 21 N 5.61 1.63 0.12 3.58 2.88 -1.26 -4.76 113.62 121.41 1don n SER 21 Ca 0.09 1.12 0.09 0.00 -1.33 0.00 0.00 58.87 58.83 1don n SER 21 Cb 0.48 -1.15 0.45 0.00 -0.75 0.00 0.00 64.21 63.23 1don n SER 21 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1don n VAL 22 N 2.82 1.19 -0.20 2.46 3.14 -1.26 -1.48 118.33 125.00 1don n VAL 22 Ca 0.20 0.59 -0.07 0.00 -2.96 0.00 0.00 64.34 62.10 1don n VAL 22 Cb 0.17 -1.57 0.08 0.00 -1.06 0.00 0.00 33.84 31.45 1don n VAL 22 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1don h GLN 23 N 0.00 1.02 -0.02 1.45 4.15 -2.02 -2.48 115.11 117.21 1don h GLN 23 Ca 0.00 -0.28 -0.15 0.00 0.77 0.00 0.00 58.65 58.99 1don h GLN 23 Cb 0.07 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1don h GLN 23 CO 0.00 0.96 -0.67 0.00 -1.93 0.00 0.00 178.83 177.19 1don h ARG 24 N 0.94 0.07 -5.48 1.69 2.47 -1.61 -3.41 114.38 109.06 1don h ARG 24 Ca 0.18 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.73 1don h ARG 24 Cb 0.47 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 1don h ARG 24 CO 0.02 0.71 0.32 -0.51 0.56 0.00 0.00 179.97 181.07 1don s LEU 25 N -7.59 2.98 0.52 3.04 1.43 -0.93 -0.70 118.68 117.43 1don s LEU 25 Ca -0.02 -0.13 0.32 0.00 -1.03 0.00 0.00 54.13 53.27 1don s LEU 25 Cb 0.12 -2.55 1.25 0.00 0.03 0.00 0.00 46.19 45.04 1don s LEU 25 CO 0.78 -3.48 1.94 0.00 0.23 0.00 0.00 176.35 175.82 1don h ALA 26 N 12.53 1.00 -2.24 4.21 0.00 0.54 -3.47 119.26 131.83 1don h ALA 26 Ca 0.02 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.19 1don h ALA 26 Cb 1.01 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1don h ALA 26 CO 1.08 0.00 0.75 0.45 0.00 0.00 0.00 179.25 181.53 1don s SER 27 N -5.66 -0.01 -0.19 0.00 0.15 -0.14 -4.96 113.70 102.90 1don s SER 27 Ca 0.02 -0.40 -0.09 0.00 0.70 0.00 0.00 55.95 56.18 1don s SER 27 Cb 0.09 0.31 0.07 0.00 -1.71 0.00 0.00 66.02 64.77 1don s SER 27 CO 0.55 -0.61 0.44 -0.47 1.20 0.00 0.00 173.24 174.35 1don s TYR 28 N -2.16 -0.71 -0.65 3.44 6.14 -1.25 -0.19 117.35 121.97 1don s TYR 28 Ca 0.24 1.45 0.05 0.00 0.64 0.00 0.00 57.07 59.45 1don s TYR 28 Cb -0.01 0.32 0.18 0.00 0.42 0.00 0.00 41.96 42.87 1don s TYR 28 CO 0.02 -0.41 0.51 -2.13 0.64 0.00 0.00 175.55 174.18 1don n ARG 29 N 4.64 1.64 -1.27 4.97 0.63 -0.77 -4.84 116.66 121.66 1don n ARG 29 Ca -0.18 -4.28 -0.59 0.00 -0.92 0.00 0.00 57.85 51.88 1don n ARG 29 Cb 0.54 -2.16 -0.11 0.00 0.45 0.00 0.00 32.46 31.17 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 1.93 0.11 -1.62 -0.14 0.63 -1.26 -2.89 116.66 113.42 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 0.38 -1.60 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 6.13 4.02 0.00 5.15 1.01 0.07 -4.89 121.20 132.68 1don s ILE 31 Ca 1.19 0.68 0.00 0.00 0.00 0.00 0.00 60.65 62.52 1don s ILE 31 Cb -1.43 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 37.63 1don s ILE 31 CO 0.64 -0.83 0.00 0.35 0.00 0.00 0.00 174.94 175.10 1don n THR 32 N -3.02 0.00 -1.99 2.92 -2.24 -1.26 -2.99 114.28 105.69 1don n THR 32 Ca 0.08 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.49 1don n THR 32 Cb 0.53 0.00 0.03 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 5.19 0.06 3.42 0.15 -1.26 -4.86 113.70 116.40 1don s SER 33 Ca 0.00 2.43 0.13 0.00 0.70 0.00 0.00 55.95 59.20 1don s SER 33 Cb 0.00 -2.60 0.55 0.00 -1.71 0.00 0.00 66.02 62.26 1don s SER 33 CO 0.00 -1.59 1.40 -1.54 1.20 0.00 0.00 173.24 172.70 1don n SER 34 N -1.53 0.13 -0.00 5.45 3.41 -1.26 -1.83 113.62 117.99 1don n SER 34 Ca 0.13 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.39 1don n SER 34 Cb 0.49 -0.57 -0.13 0.00 -0.26 0.00 0.00 64.21 63.75 1don n SER 34 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1don n LYS 35 N -1.66 0.15 -2.67 4.33 4.81 -1.26 -4.93 118.16 116.94 1don n LYS 35 Ca 0.02 -0.04 -0.42 0.00 -0.87 0.00 0.00 58.31 57.01 1don n LYS 35 Cb 0.13 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.64 1don n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1don h PRO 37 N 6.40 0.00 -2.78 0.00 0.13 -1.91 -3.43 132.00 130.41 1don h PRO 37 Ca -0.42 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.59 1don h PRO 37 Cb 1.22 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1don h PRO 37 CO 0.75 0.00 -0.25 0.15 -0.23 0.00 0.00 178.00 178.41 1don s LYS 38 N -3.79 0.46 1.12 0.86 1.02 -1.26 -5.16 119.74 112.99 1don s LYS 38 Ca -0.01 0.56 -0.19 0.00 0.02 0.00 0.00 55.97 56.35 1don s LYS 38 Cb 0.10 0.22 0.26 0.00 -0.52 0.00 0.00 37.83 37.89 1don s LYS 38 CO 0.43 -0.06 1.23 -1.21 -0.92 0.00 0.00 175.35 174.82 1don s GLU 39 N 0.24 -0.61 -0.07 1.68 2.02 -1.26 -4.63 118.70 116.07 1don s GLU 39 Ca -0.00 -0.34 -0.24 0.00 0.02 0.00 0.00 54.97 54.41 1don s GLU 39 Cb -0.03 -1.69 0.08 0.00 0.10 0.00 0.00 34.13 32.58 1don s GLU 39 CO 0.00 -3.26 1.05 0.00 0.02 0.00 0.00 175.26 173.07 1don n ALA 40 N -4.38 -3.03 -3.65 5.21 0.00 -1.16 -4.89 120.51 108.61 1don n ALA 40 Ca 0.16 -0.55 -0.28 0.00 0.00 0.00 0.00 53.44 52.76 1don n ALA 40 Cb 0.60 -0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.00 1.48 -1.28 0.00 1.01 0.48 -0.75 120.40 119.34 1don s VAL 41 Ca 0.25 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1don s VAL 41 Cb -0.00 -1.36 0.15 0.00 0.00 0.00 0.00 36.38 35.17 1don s VAL 41 CO -0.02 0.44 1.75 -0.38 0.00 0.00 0.00 175.10 176.89 1don n ILE 42 N 4.20 4.18 -1.76 2.22 2.08 -1.14 -0.80 119.36 128.34 1don n ILE 42 Ca -0.19 -4.34 -0.19 0.00 0.56 0.00 0.00 62.75 58.59 1don n ILE 42 Cb 0.51 -2.42 -0.08 0.00 -0.75 0.00 0.00 39.64 36.90 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 1.46 1.43 -0.57 1.39 0.08 -0.48 -1.85 117.98 119.44 1don s PHE 43 Ca 0.43 1.61 -0.26 0.00 0.12 0.00 0.00 56.93 58.82 1don s PHE 43 Cb 0.05 -3.60 -0.04 0.00 -0.57 0.00 0.00 43.02 38.86 1don s PHE 43 CO 0.00 -1.19 2.11 0.15 -0.10 0.00 0.00 175.22 176.19 1don s LYS 44 N 7.97 2.38 0.00 0.44 1.02 0.73 -2.45 119.74 129.83 1don s LYS 44 Ca 0.80 0.94 0.00 0.00 0.02 0.00 0.00 55.97 57.73 1don s LYS 44 Cb -0.07 -4.49 0.00 0.00 -0.52 0.00 0.00 37.83 32.75 1don s LYS 44 CO 0.11 -3.01 0.00 0.25 -0.92 0.00 0.00 175.35 171.78 1don n THR 45 N 7.59 0.00 -0.01 2.17 -2.24 -1.22 0.80 114.28 121.37 1don n THR 45 Ca 0.28 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.02 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 -0.49 1.27 0.45 2.28 -0.00 0.12 -2.88 119.36 120.12 1don n ILE 46 Ca 0.00 -0.74 0.04 0.00 -0.00 0.00 0.00 62.75 62.05 1don n ILE 46 Cb 0.00 -0.73 0.17 0.00 -0.00 0.00 0.00 39.64 39.08 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 -2.87 0.94 -1.50 7.28 3.14 -1.26 -4.83 118.33 119.22 1don n VAL 47 Ca -0.16 -0.56 -0.10 0.00 -2.96 0.00 0.00 64.34 60.56 1don n VAL 47 Cb 0.94 -0.17 -0.03 0.00 -1.06 0.00 0.00 33.84 33.52 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 -0.19 -2.56 1.55 0.00 -1.24 -4.91 120.51 113.51 1don n ALA 48 Ca 0.12 0.14 -0.43 0.00 0.00 0.00 0.00 53.44 53.27 1don n ALA 48 Cb 0.53 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1don n ALA 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1don n LYS 49 N -2.53 3.22 -1.58 0.00 4.81 -1.26 -4.79 118.16 116.02 1don n LYS 49 Ca -0.11 -3.34 -0.50 0.00 -0.87 0.00 0.00 58.31 53.49 1don n LYS 49 Cb 0.39 -3.36 -0.06 0.00 0.02 0.00 0.00 35.03 32.02 1don n LYS 49 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1don n GLU 50 N 7.42 1.54 -3.84 1.64 1.02 -1.26 -3.44 120.64 123.72 1don n GLU 50 Ca 0.46 0.50 -0.36 0.00 -0.02 0.00 0.00 57.16 57.75 1don n GLU 50 Cb 0.44 -2.54 -0.13 0.00 -0.02 0.00 0.00 31.44 29.19 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 5.73 3.48 -1.08 -3.67 1.01 -1.02 -4.87 121.20 120.77 1don s ILE 51 Ca 1.01 -1.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 1don s ILE 51 Cb -0.79 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1don s ILE 51 CO 0.51 0.02 1.82 0.00 0.00 0.00 0.00 174.94 177.30 1don s ALA 53 N 8.58 3.46 -0.10 0.00 0.00 0.02 -3.64 121.76 130.08 1don s ALA 53 Ca 0.63 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 1don s ALA 53 Cb -0.02 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1don s ALA 53 CO 0.04 0.37 1.37 0.34 0.00 0.00 0.00 175.76 177.88 1don s ASP 54 N -1.71 6.87 0.22 0.00 2.15 -1.26 -0.39 116.67 122.55 1don s ASP 54 Ca 0.42 1.91 0.18 0.00 0.43 0.00 0.00 52.55 55.48 1don s ASP 54 Cb -0.16 -2.54 0.87 0.00 -0.30 0.00 0.00 42.92 40.79 1don s ASP 54 CO 0.20 -0.78 1.54 -0.81 -0.17 0.00 0.00 175.17 175.16 1don n PRO 55 N 6.38 0.12 -0.23 4.34 -0.04 -1.26 -1.65 135.00 142.65 1don n PRO 55 Ca 0.14 0.52 0.03 0.00 -0.04 0.00 0.00 63.50 64.16 1don n PRO 55 Cb 0.44 -1.81 0.13 0.00 -0.04 0.00 0.00 33.50 32.22 1don n PRO 55 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1don n LYS 56 N -2.05 2.01 -2.42 0.54 5.02 -1.26 -4.67 118.16 115.33 1don n LYS 56 Ca 0.00 -1.05 -0.24 0.00 -2.02 0.00 0.00 58.31 55.01 1don n LYS 56 Cb 0.09 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.67 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 2.28 0.07 1.97 -1.52 -0.66 -5.01 119.66 115.16 1don s GLN 57 Ca 0.19 -0.56 0.22 0.00 -1.95 0.00 0.00 55.36 53.26 1don s GLN 57 Cb 0.12 -2.32 -0.12 0.00 -0.22 0.00 0.00 33.01 30.47 1don s GLN 57 CO 0.09 -1.04 0.82 1.17 -0.25 0.00 0.00 175.29 176.08 1don n LYS 58 N -2.67 0.53 -0.02 2.91 0.00 -1.26 -3.64 118.16 114.01 1don n LYS 58 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 58.31 58.36 1don n LYS 58 Cb 0.60 -1.65 -0.13 0.00 0.00 0.00 0.00 35.03 33.86 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 -2.32 0.43 0.76 5.64 4.27 -1.26 -3.84 117.44 121.13 1don n TRP 59 Ca -0.01 0.14 0.13 0.00 -3.89 0.00 0.00 57.50 53.87 1don n TRP 59 Cb 0.52 -0.92 0.50 0.00 -1.36 0.00 0.00 31.31 30.05 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 -2.69 0.38 0.11 -1.67 0.31 -1.26 -1.87 118.33 111.64 1don n VAL 60 Ca -0.16 -0.10 -0.02 0.00 -0.01 0.00 0.00 64.34 64.06 1don n VAL 60 Cb 0.88 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 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 0.15 5.55 1.08 -1.66 -0.28 115.11 119.95 1don h GLN 61 Ca 0.00 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.84 1don h GLN 61 Cb 0.58 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1don h GLN 61 CO 0.00 0.72 -1.91 0.22 -0.95 0.00 0.00 178.83 176.91 1don h ASP 62 N 0.00 0.50 0.18 1.46 1.82 -1.66 -3.27 116.42 115.45 1don h ASP 62 Ca -0.01 -0.95 -0.01 0.00 -0.39 0.00 0.00 57.03 55.67 1don h ASP 62 Cb 1.48 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.33 1don h ASP 62 CO 0.09 1.84 -0.09 0.28 -1.61 0.00 0.00 179.24 179.75 1don h SER 63 N 0.09 -0.20 -0.62 2.28 0.02 -1.45 -1.80 113.55 111.87 1don h SER 63 Ca -0.39 -0.32 0.18 0.00 -0.84 0.00 0.00 61.79 60.41 1don h SER 63 Cb 2.06 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 64.63 1don h SER 63 CO 0.12 0.34 0.66 -0.03 -1.14 0.00 0.00 176.83 176.78 1don h MET 64 N -0.88 0.00 0.20 3.45 1.85 -1.24 0.53 114.93 118.84 1don h MET 64 Ca -0.02 0.00 -0.34 0.00 -0.61 0.00 0.00 59.70 58.72 1don h MET 64 Cb 0.51 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.56 1don h MET 64 CO 0.04 0.00 -1.63 -0.44 -0.40 0.00 0.00 176.91 174.48 1don h ASP 65 N 0.00 0.67 -0.22 1.39 3.32 -1.58 -0.25 116.42 119.75 1don h ASP 65 Ca 0.30 -0.87 0.06 0.00 0.02 0.00 0.00 57.03 56.54 1don h ASP 65 Cb 1.61 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 1don h ASP 65 CO -0.00 1.72 0.16 -0.74 -1.72 0.00 0.00 179.24 178.65 1don h HIS 66 N 0.12 0.00 0.00 4.55 2.76 0.92 0.06 115.15 123.56 1don h HIS 66 Ca -0.30 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.58 1don h HIS 66 Cb 2.11 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 31.02 1don h HIS 66 CO 0.11 0.00 -1.83 1.28 -1.30 0.00 0.00 177.93 176.19 1don n LEU 67 N -4.39 0.66 0.09 0.26 4.77 -0.58 -2.71 117.00 115.10 1don n LEU 67 Ca 0.02 0.31 0.09 0.00 -0.03 0.00 0.00 56.01 56.40 1don n LEU 67 Cb 0.31 0.23 0.40 0.00 -2.33 0.00 0.00 43.42 42.02 1don n LEU 67 CO 0.34 0.37 0.77 -0.67 -1.33 0.00 0.00 177.39 176.88 1don n ASP 68 N -2.95 0.39 -2.66 -1.43 -0.08 -0.11 -2.56 116.55 107.16 1don n ASP 68 Ca -0.19 0.62 -0.02 0.00 -1.51 0.00 0.00 54.79 53.69 1don n ASP 68 Cb 1.04 -0.70 0.05 0.00 2.34 0.00 0.00 41.12 43.85 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 -1.96 1.77 0.10 -0.67 2.85 -0.25 -4.81 118.16 115.19 1don n LYS 69 Ca 0.01 -3.46 0.12 0.00 -1.05 0.00 0.00 58.31 53.94 1don n LYS 69 Cb 0.14 -1.55 0.10 0.00 -0.65 0.00 0.00 35.03 33.07 1don n LYS 69 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1don h GLN 70 N 2.44 0.00 -0.82 -1.58 4.20 -1.28 -3.33 115.11 114.74 1don h GLN 70 Ca -0.10 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.02 1don h GLN 70 Cb 1.34 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 28.73 1don h GLN 70 CO 0.22 0.00 -0.30 -2.37 -0.67 0.00 0.00 178.83 175.72 1don n THR 71 N -2.50 2.87 -2.92 -0.54 5.66 -1.26 -4.97 114.28 110.62 1don n THR 71 Ca 0.02 -3.81 -0.43 0.00 -3.05 0.00 0.00 64.05 56.77 1don n THR 71 Cb 0.50 -1.14 -0.04 0.00 -1.55 0.00 0.00 70.33 68.10 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 -3.67 3.19 -0.65 1.09 -1.52 -1.25 -4.97 119.66 111.87 1don s GLN 72 Ca 0.55 -0.67 -0.01 0.00 -1.95 0.00 0.00 55.36 53.28 1don s GLN 72 Cb 0.44 -4.15 0.17 0.00 -0.22 0.00 0.00 33.01 29.25 1don s GLN 72 CO 0.02 -1.58 0.46 0.99 -0.25 0.00 0.00 175.29 174.94 1don s THR 73 N 3.69 3.59 -0.44 -0.19 2.01 -1.26 -5.03 115.64 118.00 1don s THR 73 Ca 0.23 -3.23 -0.26 0.00 0.31 0.00 0.00 61.69 58.74 1don s THR 73 Cb -0.16 -3.34 -0.07 0.00 0.01 0.00 0.00 72.50 68.94 1don s THR 73 CO 0.13 -0.90 2.39 -2.65 -0.69 0.00 0.00 174.62 172.90 1don n PRO 74 N 3.16 1.21 -1.66 4.92 -0.02 -1.26 -4.87 135.00 136.49 1don n PRO 74 Ca 0.10 0.09 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 1don n PRO 74 Cb 0.37 -3.41 -0.03 0.00 -0.02 0.00 0.00 33.50 30.40 1don n PRO 74 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1don s LYS 75 N 7.95 2.64 0.00 -0.52 1.02 -1.26 -5.35 119.74 124.22 1don s LYS 75 Ca 0.99 1.58 0.22 0.00 0.02 0.00 0.00 55.97 58.78 1don s LYS 75 Cb -0.20 -4.45 0.17 0.00 -0.52 0.00 0.00 37.83 32.83 1don s LYS 75 CO 0.28 -2.66 1.19 2.41 -0.92 0.00 0.00 175.35 175.65