#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 1.83 -0.36 3.69 0.05 -1.26 -4.80 135.00 134.15 1don s PRO 2 Ca 0.00 0.51 -0.04 0.00 0.05 0.00 0.00 61.00 61.52 1don s PRO 2 Cb 0.00 -4.79 0.01 0.00 0.05 0.00 0.00 34.50 29.77 1don s PRO 2 CO 0.00 -4.10 2.89 -0.25 0.05 0.00 0.00 177.00 175.59 1don n ASP 3 N 17.49 6.23 -2.71 6.66 9.92 -1.26 -4.34 116.55 148.55 1don n ASP 3 Ca 0.44 -3.06 -0.06 0.00 -0.53 0.00 0.00 54.79 51.57 1don n ASP 3 Cb 0.46 -1.26 0.07 0.00 -0.64 0.00 0.00 41.12 39.75 1don n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1don n ALA 4 N 1.15 -2.38 0.57 2.24 0.00 -1.26 -4.99 120.51 115.84 1don n ALA 4 Ca 0.46 -0.88 0.11 0.00 0.00 0.00 0.00 53.44 53.14 1don n ALA 4 Cb 0.62 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 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 1.37 0.11 -1.96 0.00 5.41 -1.26 -4.35 119.36 118.67 1don n ILE 5 Ca 0.04 -0.23 -0.40 0.00 1.00 0.00 0.00 62.75 63.16 1don n ILE 5 Cb 0.68 0.32 -0.01 0.00 -0.71 0.00 0.00 39.64 39.92 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 -1.92 7.86 -4.65 4.38 6.94 -1.26 -4.93 115.26 121.68 1don n ASN 6 Ca 0.01 -3.09 -0.34 0.00 -0.02 0.00 0.00 54.58 51.14 1don n ASN 6 Cb 0.43 -1.39 -0.10 0.00 -2.36 0.00 0.00 39.78 36.37 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 -0.75 3.19 -0.56 -2.53 0.00 -1.26 -5.03 121.76 114.82 1don s ALA 7 Ca 0.54 -0.86 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 1don s ALA 7 Cb 0.18 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1don s ALA 7 CO -0.08 0.60 1.91 -1.25 0.00 0.00 0.00 175.76 176.94 1don s PRO 8 N -1.01 2.65 -0.77 0.00 0.04 -1.26 -4.90 135.00 129.75 1don s PRO 8 Ca 0.14 0.80 -0.22 0.00 0.04 0.00 0.00 61.00 61.76 1don s PRO 8 Cb -0.11 -4.39 0.08 0.00 0.04 0.00 0.00 34.50 30.12 1don s PRO 8 CO 0.04 -2.69 1.08 0.54 0.04 0.00 0.00 177.00 176.01 1don s VAL 9 N 9.17 4.32 -0.20 -0.36 0.11 -1.26 -4.97 120.40 127.22 1don s VAL 9 Ca 0.72 -0.62 -0.28 0.00 -2.93 0.00 0.00 61.98 58.87 1don s VAL 9 Cb -0.14 -4.77 -0.05 0.00 -1.53 0.00 0.00 36.38 29.89 1don s VAL 9 CO 0.23 -1.56 2.21 -0.89 -3.33 0.00 0.00 175.10 171.76 1don s THR 10 N 3.98 3.00 0.00 5.04 2.01 -1.26 -4.87 115.64 123.55 1don s THR 10 Ca 0.28 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1don s THR 10 Cb -0.11 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.39 1don s THR 10 CO 0.04 -0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.97 1don n TYR 13 N -0.69 0.00 -4.40 0.00 4.01 -1.26 -4.92 117.16 109.90 1don n TYR 13 Ca 0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.57 1don n TYR 13 Cb 0.55 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.54 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 -1.55 2.12 -3.66 7.72 3.02 -1.26 -5.16 115.26 116.49 1don n ASN 14 Ca 0.00 -2.37 -0.11 0.00 -0.03 0.00 0.00 54.58 52.07 1don n ASN 14 Cb 0.14 0.40 -0.11 0.00 -0.61 0.00 0.00 39.78 39.60 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 -2.30 -0.61 -0.72 3.10 0.08 -1.26 -4.69 117.98 111.58 1don s PHE 15 Ca 0.06 1.25 -0.29 0.00 0.12 0.00 0.00 56.93 58.07 1don s PHE 15 Cb 0.00 0.14 -0.15 0.00 -0.57 0.00 0.00 43.02 42.45 1don s PHE 15 CO 0.04 -0.41 2.53 -2.37 -0.10 0.00 0.00 175.22 174.91 1don n THR 16 N 5.30 -0.03 0.17 0.64 5.66 -0.59 -4.72 114.28 120.71 1don n THR 16 Ca -0.08 -0.38 0.06 0.00 -3.05 0.00 0.00 64.05 60.60 1don n THR 16 Cb 0.50 -1.60 0.23 0.00 -1.55 0.00 0.00 70.33 67.91 1don n THR 16 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1don n ASN 17 N 12.85 3.23 -4.77 1.09 5.15 -1.26 -4.62 115.26 126.92 1don n ASN 17 Ca 0.51 -2.28 -0.36 0.00 -0.60 0.00 0.00 54.58 51.86 1don n ASN 17 Cb 0.27 -0.46 -0.08 0.00 -0.53 0.00 0.00 39.78 38.99 1don n ASN 17 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1don s ARG 18 N -1.72 3.59 -0.79 1.20 0.52 -1.26 -4.98 118.95 115.51 1don s ARG 18 Ca 0.33 -0.23 -0.23 0.00 -0.52 0.00 0.00 55.73 55.08 1don s ARG 18 Cb 0.21 -3.17 -0.17 0.00 0.52 0.00 0.00 34.95 32.34 1don s ARG 18 CO 0.16 0.59 2.38 1.63 0.02 0.00 0.00 175.30 180.08 1don n LYS 19 N 2.57 0.49 -2.48 3.54 5.02 -1.26 -4.84 118.16 121.20 1don n LYS 19 Ca -0.18 -0.47 -0.43 0.00 -2.02 0.00 0.00 58.31 55.21 1don n LYS 19 Cb 0.54 -2.95 -0.02 0.00 -0.02 0.00 0.00 35.03 32.58 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 10.94 4.28 0.04 -0.18 1.01 -1.26 -4.93 121.20 131.10 1don s ILE 20 Ca 1.05 1.49 -0.38 0.00 0.00 0.00 0.00 60.65 62.81 1don s ILE 20 Cb -0.36 -4.17 -0.18 0.00 0.01 0.00 0.00 42.46 37.76 1don s ILE 20 CO 0.24 -0.36 1.27 -0.24 0.00 0.00 0.00 174.94 175.86 1don n SER 21 N 7.11 1.16 0.29 3.58 2.88 -1.26 -4.75 113.62 122.63 1don n SER 21 Ca 0.14 1.13 0.15 0.00 -1.33 0.00 0.00 58.87 58.96 1don n SER 21 Cb 0.46 -1.10 0.74 0.00 -0.75 0.00 0.00 64.21 63.56 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 3.31 0.06 -0.13 2.46 3.04 -1.93 0.12 116.25 123.18 1don h VAL 22 Ca -0.49 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.16 1don h VAL 22 Cb 1.36 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1don h VAL 22 CO 0.75 0.00 -0.11 0.06 -1.01 0.00 0.00 177.57 177.26 1don h GLN 23 N 0.00 0.30 -0.07 4.17 3.07 -2.01 -2.87 115.11 117.71 1don h GLN 23 Ca 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 58.65 58.61 1don h GLN 23 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.42 1don h GLN 23 CO -0.00 0.68 -0.03 0.00 0.09 0.00 0.00 178.83 179.57 1don h ARG 24 N -0.07 0.09 -6.12 0.06 2.47 -1.10 -3.38 114.38 106.34 1don h ARG 24 Ca 0.02 -0.01 -0.51 0.00 -1.26 0.00 0.00 59.98 58.23 1don h ARG 24 Cb 0.61 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.86 1don h ARG 24 CO 0.03 0.14 1.21 -0.51 0.56 0.00 0.00 179.97 181.40 1don s LEU 25 N -8.97 3.24 0.43 3.04 1.43 -1.08 -0.82 118.68 115.96 1don s LEU 25 Ca -0.05 -0.13 0.24 0.00 -1.03 0.00 0.00 54.13 53.16 1don s LEU 25 Cb 0.16 -2.55 0.56 0.00 0.03 0.00 0.00 46.19 44.40 1don s LEU 25 CO 0.69 -2.15 1.68 0.00 0.23 0.00 0.00 176.35 176.80 1don h ALA 26 N 12.54 0.95 -2.32 4.21 0.00 -0.06 -3.47 119.26 131.10 1don h ALA 26 Ca -0.22 -0.10 0.26 0.00 0.00 0.00 0.00 54.91 54.85 1don h ALA 26 Cb 1.10 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1don h ALA 26 CO 1.25 0.14 0.77 -1.54 0.00 0.00 0.00 179.25 179.88 1don s SER 27 N -6.15 0.01 -0.16 0.00 1.04 -0.09 -4.96 113.70 103.38 1don s SER 27 Ca 0.05 -0.41 -0.14 0.00 0.48 0.00 0.00 55.95 55.92 1don s SER 27 Cb 0.07 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.53 1don s SER 27 CO 0.65 -0.60 0.43 -0.47 0.98 0.00 0.00 173.24 174.24 1don s TYR 28 N -2.06 -0.50 -0.45 5.02 6.14 -1.25 -0.21 117.35 124.03 1don s TYR 28 Ca 0.27 1.19 0.04 0.00 0.64 0.00 0.00 57.07 59.21 1don s TYR 28 Cb -0.02 0.19 0.17 0.00 0.42 0.00 0.00 41.96 42.72 1don s TYR 28 CO 0.02 -0.25 0.36 1.03 0.64 0.00 0.00 175.55 177.35 1don s ARG 29 N 0.45 1.13 -0.17 4.97 0.52 -0.72 -4.87 118.95 120.27 1don s ARG 29 Ca -0.02 -2.29 -0.41 0.00 -0.52 0.00 0.00 55.73 52.49 1don s ARG 29 Cb -0.04 -1.71 -0.19 0.00 0.52 0.00 0.00 34.95 33.53 1don s ARG 29 CO -0.02 -1.37 1.21 -2.13 0.02 0.00 0.00 175.30 173.00 1don n ARG 30 N 2.71 0.00 -3.24 3.54 0.63 -1.26 -2.89 116.66 116.16 1don n ARG 30 Ca 0.28 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.82 1don n ARG 30 Cb 0.46 -1.44 -0.07 0.00 0.45 0.00 0.00 32.46 31.86 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 1.02 5.10 -0.36 5.15 1.01 -0.51 -4.85 121.20 127.75 1don s ILE 31 Ca 0.92 0.97 0.12 0.00 0.00 0.00 0.00 60.65 62.66 1don s ILE 31 Cb -1.30 -3.85 0.40 0.00 0.01 0.00 0.00 42.46 37.73 1don s ILE 31 CO 0.63 0.17 1.45 0.35 0.00 0.00 0.00 174.94 177.54 1don n THR 32 N 4.56 0.04 0.00 2.92 -2.24 -1.26 -2.32 114.28 115.98 1don n THR 32 Ca -0.04 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 1don n THR 32 Cb 0.50 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1don n THR 32 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1don n SER 33 N -1.10 0.00 0.00 3.42 2.88 -1.26 -4.96 113.62 112.60 1don n SER 33 Ca -0.11 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1don n SER 33 Cb 0.86 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 1don n SER 33 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1don n SER 34 N -0.26 0.00 0.04 -3.46 2.88 -1.26 -4.93 113.62 106.62 1don n SER 34 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1don n SER 34 Cb 0.00 0.01 0.17 0.00 -0.75 0.00 0.00 64.21 63.64 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 -0.85 0.20 -1.68 -1.46 4.76 -1.26 -4.88 118.16 112.98 1don n LYS 35 Ca 0.00 0.04 -0.46 0.00 -2.87 0.00 0.00 58.31 55.02 1don n LYS 35 Cb 0.00 -1.61 -0.04 0.00 -1.84 0.00 0.00 35.03 31.54 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 8.90 0.00 -2.69 0.00 0.13 -1.93 -3.42 132.00 133.00 1don h PRO 37 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1don h PRO 37 Cb 1.26 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.13 1don h PRO 37 CO 0.94 0.00 -0.28 0.15 -0.23 0.00 0.00 178.00 178.58 1don s LYS 38 N -3.93 0.42 1.21 0.86 1.02 -1.26 -5.16 119.74 112.90 1don s LYS 38 Ca -0.03 0.71 -0.20 0.00 0.02 0.00 0.00 55.97 56.47 1don s LYS 38 Cb 0.11 0.06 0.29 0.00 -0.52 0.00 0.00 37.83 37.77 1don s LYS 38 CO 0.39 -0.13 1.13 -1.21 -0.92 0.00 0.00 175.35 174.62 1don s GLU 39 N 1.01 -1.27 0.00 1.68 2.02 -1.26 -4.63 118.70 116.25 1don s GLU 39 Ca -0.06 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.75 1don s GLU 39 Cb -0.07 -1.60 0.00 0.00 0.10 0.00 0.00 34.13 32.56 1don s GLU 39 CO -0.08 -3.72 0.00 0.00 0.02 0.00 0.00 175.26 171.48 1don n ALA 40 N -4.74 0.00 -3.78 5.21 0.00 -0.98 -4.89 120.51 111.32 1don n ALA 40 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.34 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 -2.12 0.86 -1.28 0.00 1.01 -0.72 -1.42 120.40 116.72 1don s VAL 41 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 1don s VAL 41 Cb 0.00 -0.89 0.12 0.00 0.00 0.00 0.00 36.38 35.61 1don s VAL 41 CO 0.00 0.33 1.71 -0.38 0.00 0.00 0.00 175.10 176.76 1don n ILE 42 N 4.71 4.07 -1.89 2.22 2.08 -1.14 -0.92 119.36 128.48 1don n ILE 42 Ca -0.14 -4.25 -0.22 0.00 0.56 0.00 0.00 62.75 58.69 1don n ILE 42 Cb 0.50 -2.43 -0.07 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 2.45 1.61 -0.58 1.39 0.08 -0.64 -1.76 117.98 120.53 1don s PHE 43 Ca 0.46 1.13 -0.26 0.00 0.12 0.00 0.00 56.93 58.38 1don s PHE 43 Cb 0.04 -3.80 -0.05 0.00 -0.57 0.00 0.00 43.02 38.64 1don s PHE 43 CO 0.02 -1.44 2.13 0.15 -0.10 0.00 0.00 175.22 175.98 1don s LYS 44 N 7.51 2.34 0.00 0.44 1.02 0.71 -2.12 119.74 129.63 1don s LYS 44 Ca 0.76 0.92 0.00 0.00 0.02 0.00 0.00 55.97 57.68 1don s LYS 44 Cb -0.07 -4.52 0.00 0.00 -0.52 0.00 0.00 37.83 32.72 1don s LYS 44 CO 0.07 -3.08 0.00 0.25 -0.92 0.00 0.00 175.35 171.67 1don n THR 45 N 7.66 0.00 0.01 2.17 -2.24 -1.22 0.30 114.28 120.96 1don n THR 45 Ca 0.30 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.03 1don n THR 45 Cb 0.53 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 1don n THR 45 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1don h ILE 46 N -0.69 0.69 -0.29 2.28 -2.65 -1.28 -3.09 117.51 112.47 1don h ILE 46 Ca 0.00 -2.36 0.00 0.00 1.03 0.00 0.00 64.86 63.53 1don h ILE 46 Cb 0.00 2.23 0.00 0.00 -2.05 0.00 0.00 36.82 37.00 1don h ILE 46 CO 0.00 0.39 0.00 0.55 0.03 0.00 0.00 178.15 179.12 1don n VAL 47 N -2.98 0.88 -1.29 0.16 3.14 -1.26 -4.83 118.33 112.15 1don n VAL 47 Ca -0.13 -0.55 -0.10 0.00 -2.96 0.00 0.00 64.34 60.61 1don n VAL 47 Cb 0.94 -0.12 -0.04 0.00 -1.06 0.00 0.00 33.84 33.56 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 0.37 -0.15 -2.61 1.55 0.00 -1.23 -4.91 120.51 113.52 1don n ALA 48 Ca 0.12 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 1don n ALA 48 Cb 0.50 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.82 3.99 -0.32 0.00 2.20 -1.26 -4.76 119.74 116.76 1don s LYS 49 Ca 0.00 -2.02 -0.35 0.00 -0.36 0.00 0.00 55.97 53.23 1don s LYS 49 Cb 0.00 -5.49 -0.11 0.00 -1.51 0.00 0.00 37.83 30.72 1don s LYS 49 CO 0.00 -2.21 2.13 0.39 -0.36 0.00 0.00 175.35 175.30 1don n GLU 50 N 8.16 1.19 -3.74 4.03 1.02 -1.26 -3.42 120.64 126.62 1don n GLU 50 Ca 0.47 0.35 -0.38 0.00 -0.02 0.00 0.00 57.16 57.58 1don n GLU 50 Cb 0.46 -2.47 -0.12 0.00 -0.02 0.00 0.00 31.44 29.29 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 6.81 3.82 0.16 -3.67 1.01 -0.90 -4.86 121.20 123.56 1don s ILE 51 Ca 1.07 -1.15 -0.32 0.00 0.00 0.00 0.00 60.65 60.26 1don s ILE 51 Cb -0.85 -3.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 1don s ILE 51 CO 0.50 -0.20 1.60 0.00 0.00 0.00 0.00 174.94 176.83 1don s ALA 53 N 1.31 1.00 -0.17 0.00 0.00 -0.10 -1.54 121.76 122.25 1don s ALA 53 Ca 0.71 -0.54 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 1don s ALA 53 Cb -0.44 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 1don s ALA 53 CO 0.31 0.24 1.89 0.34 0.00 0.00 0.00 175.76 178.54 1don s ASP 54 N -0.37 6.08 0.40 0.00 2.15 -1.26 -1.75 116.67 121.91 1don s ASP 54 Ca 0.04 1.91 0.28 0.00 0.43 0.00 0.00 52.55 55.21 1don s ASP 54 Cb -0.05 -2.52 1.38 0.00 -0.30 0.00 0.00 42.92 41.43 1don s ASP 54 CO -0.00 -1.46 1.85 1.55 -0.17 0.00 0.00 175.17 176.94 1don h PRO 55 N 12.17 0.00 -0.27 4.34 0.13 -1.90 -1.68 132.00 144.79 1don h PRO 55 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 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 0.98 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.38 1don n LYS 56 N -2.52 1.49 -2.64 0.86 4.76 -1.26 -4.66 118.16 114.19 1don n LYS 56 Ca -0.00 -0.68 -0.25 0.00 -2.87 0.00 0.00 58.31 54.51 1don n LYS 56 Cb 0.13 -1.21 0.02 0.00 -1.84 0.00 0.00 35.03 32.14 1don n LYS 56 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1don s GLN 57 N -1.72 2.94 0.02 1.97 -1.52 -0.63 -4.99 119.66 115.73 1don s GLN 57 Ca 0.12 -0.24 0.24 0.00 -1.95 0.00 0.00 55.36 53.53 1don s GLN 57 Cb 0.07 -2.40 0.21 0.00 -0.22 0.00 0.00 33.01 30.68 1don s GLN 57 CO 0.08 -0.54 1.19 1.17 -0.25 0.00 0.00 175.29 176.94 1don n LYS 58 N -2.38 0.12 -0.06 2.91 3.00 -1.26 -3.37 118.16 117.12 1don n LYS 58 Ca 0.04 0.01 -0.09 0.00 -0.00 0.00 0.00 58.31 58.26 1don n LYS 58 Cb 0.58 -1.54 -0.15 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 -1.70 0.47 0.21 5.64 4.27 -1.26 -3.91 117.44 121.16 1don n TRP 59 Ca 0.04 0.17 0.09 0.00 -3.89 0.00 0.00 57.50 53.91 1don n TRP 59 Cb 0.37 -1.08 0.30 0.00 -1.36 0.00 0.00 31.31 29.54 1don n TRP 59 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 1don h VAL 60 N 0.00 0.44 0.00 -1.67 2.07 -1.85 -2.06 116.25 113.17 1don h VAL 60 Ca -0.42 -1.32 -0.10 0.00 0.82 0.00 0.00 66.70 65.68 1don h VAL 60 Cb 2.13 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.86 1don h VAL 60 CO 0.05 0.22 -0.46 1.56 0.02 0.00 0.00 177.57 178.96 1don h GLN 61 N 0.00 0.00 0.17 1.57 1.08 -1.67 -0.19 115.11 116.07 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 0.96 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.39 1don h GLN 61 CO 0.03 0.46 -1.67 -0.44 -0.95 0.00 0.00 178.83 176.26 1don h ASP 62 N 0.00 0.57 0.51 1.46 5.19 -1.62 -3.22 116.42 119.32 1don h ASP 62 Ca -0.00 -0.82 -0.02 0.00 -0.62 0.00 0.00 57.03 55.56 1don h ASP 62 Cb 0.90 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1don h ASP 62 CO 0.06 1.69 -0.24 0.28 -3.12 0.00 0.00 179.24 177.90 1don h SER 63 N 0.10 -0.58 0.00 6.45 0.02 -1.28 -2.99 113.55 115.27 1don h SER 63 Ca -0.31 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1don h SER 63 Cb 2.08 0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.77 1don h SER 63 CO 0.18 -0.19 0.22 0.00 -1.14 0.00 0.00 176.83 175.90 1don h MET 64 N -1.14 0.00 0.20 3.45 -0.00 -1.22 0.64 114.93 116.87 1don h MET 64 Ca -0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.32 1don h MET 64 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.15 1don h MET 64 CO 0.11 0.00 -1.38 -0.44 -0.00 0.00 0.00 176.91 175.20 1don h ASP 65 N 0.00 0.65 0.41 -0.10 5.19 -1.54 0.98 116.42 122.01 1don h ASP 65 Ca 0.00 -0.70 -0.13 0.00 -0.62 0.00 0.00 57.03 55.58 1don h ASP 65 Cb 0.44 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1don h ASP 65 CO 0.00 1.55 -0.55 1.12 -3.12 0.00 0.00 179.24 178.24 1don h HIS 66 N 0.11 0.19 -0.05 4.55 2.07 -0.75 -1.51 115.15 119.76 1don h HIS 66 Ca -0.20 -0.06 -0.15 0.00 -2.85 0.00 0.00 60.37 57.10 1don h HIS 66 Cb 2.08 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 32.02 1don h HIS 66 CO 0.10 0.67 -0.65 -0.07 -3.07 0.00 0.00 177.93 174.91 1don h LEU 67 N 0.11 0.25 -0.41 6.12 3.38 -1.38 0.73 115.31 124.11 1don h LEU 67 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1don h LEU 67 Cb 1.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1don h LEU 67 CO 0.08 0.83 0.00 -0.67 0.09 0.00 0.00 178.44 178.77 1don n ASP 68 N -3.83 0.28 -2.64 -0.43 -0.08 0.33 -2.65 116.55 107.54 1don n ASP 68 Ca -0.02 0.59 -0.01 0.00 -1.51 0.00 0.00 54.79 53.83 1don n ASP 68 Cb 0.65 -0.64 0.05 0.00 2.34 0.00 0.00 41.12 43.51 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 -1.83 1.64 -0.79 -0.67 2.85 -0.46 -4.82 118.16 114.07 1don n LYS 69 Ca 0.02 -3.38 -0.04 0.00 -1.05 0.00 0.00 58.31 53.85 1don n LYS 69 Cb 0.14 -1.47 -0.04 0.00 -0.65 0.00 0.00 35.03 33.00 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 -0.49 0.00 -0.48 -1.58 -0.00 0.13 -4.95 117.38 110.01 1don n GLN 70 Ca 0.09 -0.61 0.05 0.00 -0.00 0.00 0.00 57.00 56.52 1don n GLN 70 Cb 0.85 0.45 0.21 0.00 -0.00 0.00 0.00 30.24 31.75 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 0.00 2.26 -3.74 -0.39 5.66 -1.18 -4.89 114.28 112.00 1don n THR 71 Ca -0.17 -2.37 -0.13 0.00 -3.05 0.00 0.00 64.05 58.33 1don n THR 71 Cb 0.53 -0.27 -0.09 0.00 -1.55 0.00 0.00 70.33 68.95 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 -3.01 0.57 -0.73 1.09 -2.07 -1.26 -5.10 119.66 109.16 1don s GLN 72 Ca 0.40 0.19 0.04 0.00 -1.82 0.00 0.00 55.36 54.17 1don s GLN 72 Cb 0.35 0.27 0.18 0.00 -1.09 0.00 0.00 33.01 32.72 1don s GLN 72 CO 0.03 -0.12 0.55 2.41 -1.32 0.00 0.00 175.29 176.84 1don n THR 73 N 2.06 1.88 -0.33 3.63 -1.04 -1.26 -5.09 114.28 114.13 1don n THR 73 Ca -0.17 -4.93 -0.30 0.00 -2.04 0.00 0.00 64.05 56.60 1don n THR 73 Cb 0.57 -2.21 0.29 0.00 -1.82 0.00 0.00 70.33 67.16 1don n THR 73 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1don s PRO 74 N -1.55 -3.02 -0.31 -2.82 0.04 -1.26 -4.56 135.00 121.53 1don s PRO 74 Ca 0.26 0.17 -0.08 0.00 0.04 0.00 0.00 61.00 61.40 1don s PRO 74 Cb -0.03 -1.36 0.01 0.00 0.04 0.00 0.00 34.50 33.16 1don s PRO 74 CO -0.15 -4.94 0.22 1.17 0.04 0.00 0.00 177.00 173.33 1don n LYS 75 N -5.68 -2.63 0.00 4.56 3.00 -1.26 -5.30 118.16 110.85 1don n LYS 75 Ca 0.12 2.22 0.00 0.00 -0.00 0.00 0.00 58.31 60.66 1don n LYS 75 Cb 0.60 -4.59 0.00 0.00 0.00 0.00 0.00 35.03 31.04 1don n LYS 75 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03