#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 1.68 -0.38 -1.09 0.05 -1.26 -4.78 135.00 129.22 1don s PRO 2 Ca 0.00 0.12 -0.04 0.00 0.05 0.00 0.00 61.00 61.13 1don s PRO 2 Cb 0.00 -4.88 0.02 0.00 0.05 0.00 0.00 34.50 29.69 1don s PRO 2 CO 0.00 -4.50 2.86 -0.25 0.05 0.00 0.00 177.00 175.16 1don n ASP 3 N 18.06 6.29 -2.68 6.66 8.00 -1.26 -4.43 116.55 147.19 1don n ASP 3 Ca 0.45 -3.09 -0.04 0.00 0.71 0.00 0.00 54.79 52.82 1don n ASP 3 Cb 0.45 -1.25 0.04 0.00 -0.02 0.00 0.00 41.12 40.33 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 1.09 -3.63 0.70 2.24 0.00 -1.26 -5.01 120.51 114.64 1don n ALA 4 Ca 0.47 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.96 1don n ALA 4 Cb 0.61 -3.17 -0.12 0.00 0.00 0.00 0.00 19.45 16.77 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 2.44 0.01 -2.02 0.00 5.41 -1.26 -4.43 119.36 119.50 1don n ILE 5 Ca 0.10 -0.15 -0.40 0.00 1.00 0.00 0.00 62.75 63.30 1don n ILE 5 Cb 0.65 0.67 -0.00 0.00 -0.71 0.00 0.00 39.64 40.25 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 -1.73 7.62 -4.63 4.38 6.94 -1.26 -4.93 115.26 121.64 1don n ASN 6 Ca 0.02 -3.12 -0.33 0.00 -0.02 0.00 0.00 54.58 51.14 1don n ASN 6 Cb 0.40 -1.39 -0.10 0.00 -2.36 0.00 0.00 39.78 36.34 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 -0.80 3.12 -0.59 -2.53 0.00 -1.26 -5.03 121.76 114.66 1don s ALA 7 Ca 0.52 -0.98 -0.27 0.00 0.00 0.00 0.00 51.96 51.24 1don s ALA 7 Cb 0.17 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 1don s ALA 7 CO -0.08 0.62 1.88 -1.25 0.00 0.00 0.00 175.76 176.93 1don s PRO 8 N -1.40 2.65 -0.53 0.00 0.04 -1.26 -4.91 135.00 129.59 1don s PRO 8 Ca 0.17 0.69 -0.23 0.00 0.04 0.00 0.00 61.00 61.67 1don s PRO 8 Cb -0.11 -4.38 0.04 0.00 0.04 0.00 0.00 34.50 30.09 1don s PRO 8 CO 0.08 -2.70 0.87 0.54 0.04 0.00 0.00 177.00 175.83 1don s VAL 9 N 9.06 4.50 -0.41 -0.36 0.11 -1.26 -4.98 120.40 127.06 1don s VAL 9 Ca 0.69 0.21 -0.28 0.00 -2.93 0.00 0.00 61.98 59.67 1don s VAL 9 Cb -0.13 -4.47 -0.01 0.00 -1.53 0.00 0.00 36.38 30.24 1don s VAL 9 CO 0.22 -1.00 1.67 -0.89 -3.33 0.00 0.00 175.10 171.78 1don s THR 10 N 3.65 3.60 0.00 5.04 2.01 -1.26 -4.93 115.64 123.75 1don s THR 10 Ca 0.28 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.86 1don s THR 10 Cb -0.13 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1don s THR 10 CO 0.19 -0.63 0.00 0.00 -0.69 0.00 0.00 174.62 173.49 1don n TYR 13 N -0.09 -0.08 -4.66 0.00 4.01 -1.26 -4.93 117.16 110.15 1don n TYR 13 Ca 0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.46 1don n TYR 13 Cb 0.08 0.09 -0.06 0.00 -0.31 0.00 0.00 39.34 39.14 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 3.07 -3.67 7.72 3.02 -1.26 -5.15 115.26 117.31 1don n ASN 14 Ca 0.00 -3.00 -0.13 0.00 -0.03 0.00 0.00 54.58 51.43 1don n ASN 14 Cb 0.00 0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 39.42 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 -2.67 -0.46 -0.84 3.10 0.08 -1.26 -4.68 117.98 111.25 1don s PHE 15 Ca 0.02 1.03 -0.24 0.00 0.12 0.00 0.00 56.93 57.86 1don s PHE 15 Cb 0.00 0.02 -0.20 0.00 -0.57 0.00 0.00 43.02 42.27 1don s PHE 15 CO 0.01 -0.36 2.45 -2.37 -0.10 0.00 0.00 175.22 174.86 1don n THR 16 N 5.21 -0.02 1.31 0.64 5.66 -0.42 -4.68 114.28 121.98 1don n THR 16 Ca -0.09 -0.40 0.11 0.00 -3.05 0.00 0.00 64.05 60.62 1don n THR 16 Cb 0.50 -1.21 0.41 0.00 -1.55 0.00 0.00 70.33 68.48 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 12.09 1.52 -4.74 1.09 5.15 -1.26 -4.68 115.26 124.44 1don n ASN 17 Ca 0.56 -1.66 -0.39 0.00 -0.60 0.00 0.00 54.58 52.49 1don n ASN 17 Cb 0.25 -0.09 -0.06 0.00 -0.53 0.00 0.00 39.78 39.36 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 -1.83 4.33 -0.81 1.20 0.52 -1.26 -4.93 118.95 116.17 1don s ARG 18 Ca 0.33 0.62 -0.22 0.00 -0.52 0.00 0.00 55.73 55.93 1don s ARG 18 Cb 0.18 -3.40 -0.19 0.00 0.52 0.00 0.00 34.95 32.06 1don s ARG 18 CO 0.27 0.23 2.37 1.63 0.02 0.00 0.00 175.30 179.82 1don n LYS 19 N 3.31 0.45 -2.65 3.54 5.02 -1.26 -4.85 118.16 121.72 1don n LYS 19 Ca -0.06 -0.44 -0.43 0.00 -2.02 0.00 0.00 58.31 55.36 1don n LYS 19 Cb 0.51 -2.81 -0.02 0.00 -0.02 0.00 0.00 35.03 32.69 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 10.28 4.69 0.41 -0.18 1.01 -1.26 -4.97 121.20 131.18 1don s ILE 20 Ca 1.07 1.98 -0.22 0.00 0.00 0.00 0.00 60.65 63.48 1don s ILE 20 Cb -0.41 -4.27 -0.14 0.00 0.01 0.00 0.00 42.46 37.65 1don s ILE 20 CO 0.27 -0.04 0.37 -0.24 0.00 0.00 0.00 174.94 175.29 1don n SER 21 N 5.38 -1.66 0.27 3.58 2.88 -1.26 -4.80 113.62 118.01 1don n SER 21 Ca 0.10 0.88 0.14 0.00 -1.33 0.00 0.00 58.87 58.66 1don n SER 21 Cb 0.48 -1.02 0.72 0.00 -0.75 0.00 0.00 64.21 63.63 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 0.62 0.35 0.00 2.46 3.04 -1.96 -0.96 116.25 119.80 1don h VAL 22 Ca -0.38 -0.60 -0.06 0.00 -1.01 0.00 0.00 66.70 64.64 1don h VAL 22 Cb 1.42 1.44 -0.01 0.00 -2.01 0.00 0.00 31.29 32.13 1don h VAL 22 CO 0.50 0.10 -0.31 0.06 -1.01 0.00 0.00 177.57 176.91 1don h GLN 23 N 0.00 0.00 -0.94 4.17 3.07 -2.01 -2.48 115.11 116.92 1don h GLN 23 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1don h GLN 23 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.98 1don h GLN 23 CO 0.01 0.31 0.04 0.54 0.09 0.00 0.00 178.83 179.81 1don n ARG 24 N -3.44 1.62 -3.65 0.06 5.12 -0.36 -4.41 116.66 111.59 1don n ARG 24 Ca 0.00 -0.61 -0.28 0.00 -1.93 0.00 0.00 57.85 55.03 1don n ARG 24 Cb 0.48 -1.53 -0.12 0.00 -1.16 0.00 0.00 32.46 30.14 1don n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1don s LEU 25 N -0.57 2.87 0.43 0.55 1.43 -0.93 -3.94 118.68 118.52 1don s LEU 25 Ca 0.11 -3.17 0.29 0.00 -1.03 0.00 0.00 54.13 50.33 1don s LEU 25 Cb 0.08 -1.00 1.55 0.00 0.03 0.00 0.00 46.19 46.85 1don s LEU 25 CO 0.03 -0.17 1.89 0.00 0.23 0.00 0.00 176.35 178.33 1don h ALA 26 N 5.92 1.00 -2.39 4.21 0.00 0.19 -3.45 119.26 124.74 1don h ALA 26 Ca 0.14 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.24 1don h ALA 26 Cb 0.87 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1don h ALA 26 CO 0.51 0.00 0.59 0.45 0.00 0.00 0.00 179.25 180.80 1don s SER 27 N -4.46 -0.04 -0.19 0.00 0.15 0.09 -4.95 113.70 104.30 1don s SER 27 Ca -0.02 -0.55 -0.08 0.00 0.70 0.00 0.00 55.95 55.99 1don s SER 27 Cb 0.09 0.46 0.08 0.00 -1.71 0.00 0.00 66.02 64.93 1don s SER 27 CO 0.29 -0.89 0.42 -0.47 1.20 0.00 0.00 173.24 173.79 1don s TYR 28 N -2.45 -0.71 0.02 3.44 5.04 -1.26 -1.00 117.35 120.43 1don s TYR 28 Ca 0.19 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1don s TYR 28 Cb -0.02 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.59 1don s TYR 28 CO 0.04 -0.42 0.01 -2.13 -1.34 0.00 0.00 175.55 171.71 1don n ARG 29 N 4.85 1.69 -3.57 4.97 0.63 -0.62 -4.84 116.66 119.76 1don n ARG 29 Ca -0.16 -0.16 -0.20 0.00 -0.92 0.00 0.00 57.85 56.42 1don n ARG 29 Cb 0.52 0.03 -0.15 0.00 0.45 0.00 0.00 32.46 33.32 1don n ARG 29 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1don s ARG 30 N -2.09 0.11 -0.18 -0.14 3.52 -1.26 -1.39 118.95 117.52 1don s ARG 30 Ca 0.01 0.24 -0.29 0.00 -0.13 0.00 0.00 55.73 55.55 1don s ARG 30 Cb -0.00 -1.10 -0.02 0.00 -1.56 0.00 0.00 34.95 32.27 1don s ARG 30 CO 0.00 -0.56 1.42 0.42 -0.81 0.00 0.00 175.30 175.77 1don s ILE 31 N 2.27 4.00 -0.27 4.11 -1.09 -0.33 -4.80 121.20 125.09 1don s ILE 31 Ca 0.05 1.18 0.13 0.00 -2.23 0.00 0.00 60.65 59.78 1don s ILE 31 Cb -0.15 -3.87 0.37 0.00 -1.58 0.00 0.00 42.46 37.23 1don s ILE 31 CO -0.10 -0.23 1.39 0.35 -1.23 0.00 0.00 174.94 175.13 1don n THR 32 N 5.78 0.20 -0.19 2.92 -2.24 -1.26 -2.15 114.28 117.35 1don n THR 32 Ca 0.16 -1.17 -0.12 0.00 -2.27 0.00 0.00 64.05 60.65 1don n THR 32 Cb 0.45 0.98 0.11 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.13 -2.57 -0.57 3.42 2.88 -1.26 -4.85 113.62 109.53 1don n SER 33 Ca -0.15 -0.33 0.11 0.00 -1.33 0.00 0.00 58.87 57.17 1don n SER 33 Cb 0.85 -0.45 0.39 0.00 -0.75 0.00 0.00 64.21 64.25 1don n SER 33 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1don n SER 34 N -2.84 1.73 -0.16 -3.46 3.41 -1.26 -4.06 113.62 106.98 1don n SER 34 Ca 0.05 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 1don n SER 34 Cb 0.23 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1don n SER 34 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1don n LYS 35 N 0.36 0.00 -2.53 4.33 4.76 -1.26 -5.06 118.16 118.75 1don n LYS 35 Ca 0.17 -0.55 -0.43 0.00 -2.87 0.00 0.00 58.31 54.63 1don n LYS 35 Cb 0.35 -0.42 -0.02 0.00 -1.84 0.00 0.00 35.03 33.10 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 8.07 0.00 -2.68 0.00 0.10 -1.96 -3.41 132.00 132.12 1don h PRO 37 Ca -0.23 0.00 -0.12 0.00 0.10 0.00 0.00 66.00 65.75 1don h PRO 37 Cb 1.08 0.00 -0.26 0.00 0.10 0.00 0.00 31.00 31.92 1don h PRO 37 CO 0.99 0.00 -0.28 0.15 0.10 0.00 0.00 178.00 178.96 1don s LYS 38 N -4.08 0.41 1.21 1.05 1.02 -1.26 -5.16 119.74 112.94 1don s LYS 38 Ca -0.04 0.72 -0.20 0.00 0.02 0.00 0.00 55.97 56.46 1don s LYS 38 Cb 0.12 0.05 0.29 0.00 -0.52 0.00 0.00 37.83 37.77 1don s LYS 38 CO 0.36 -0.13 1.14 -1.21 -0.92 0.00 0.00 175.35 174.60 1don s GLU 39 N 1.04 -1.30 0.00 1.68 2.02 -1.26 -4.64 118.70 116.24 1don s GLU 39 Ca -0.07 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 54.70 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 -0.09 -3.74 0.00 0.00 0.02 0.00 0.00 175.26 171.46 1don n ALA 40 N -4.74 0.00 -3.71 5.21 0.00 -0.91 -4.88 120.51 111.48 1don n ALA 40 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.36 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 -3.00 0.66 -1.28 0.00 1.01 -0.74 -1.18 120.40 115.87 1don s VAL 41 Ca 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 1don s VAL 41 Cb 0.00 -0.71 0.12 0.00 0.00 0.00 0.00 36.38 35.79 1don s VAL 41 CO 0.00 0.28 1.68 -0.38 0.00 0.00 0.00 175.10 176.69 1don n ILE 42 N 4.53 4.06 -1.86 2.22 2.08 -0.48 -1.08 119.36 128.83 1don n ILE 42 Ca -0.17 -4.27 -0.21 0.00 0.56 0.00 0.00 62.75 58.65 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 2.68 1.56 -0.58 1.39 0.08 -0.63 -1.59 117.98 120.89 1don s PHE 43 Ca 0.47 1.22 -0.26 0.00 0.12 0.00 0.00 56.93 58.48 1don s PHE 43 Cb 0.03 -3.77 -0.05 0.00 -0.57 0.00 0.00 43.02 38.67 1don s PHE 43 CO 0.02 -1.46 2.11 0.15 -0.10 0.00 0.00 175.22 175.95 1don s LYS 44 N 7.66 2.36 0.00 0.44 -0.14 -0.17 -2.07 119.74 127.82 1don s LYS 44 Ca 0.78 0.91 0.00 0.00 -1.36 0.00 0.00 55.97 56.30 1don s LYS 44 Cb -0.07 -4.51 0.00 0.00 -1.68 0.00 0.00 37.83 31.57 1don s LYS 44 CO 0.07 -3.05 0.00 0.25 -0.76 0.00 0.00 175.35 171.86 1don n THR 45 N 7.62 0.00 0.00 2.17 -2.24 -1.20 0.16 114.28 120.79 1don n THR 45 Ca 0.29 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 -0.11 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 1.41 0.60 2.28 -0.00 -1.25 -2.39 119.36 119.28 1don n ILE 46 Ca 0.00 -0.75 0.04 0.00 -0.00 0.00 0.00 62.75 62.05 1don n ILE 46 Cb 0.00 -0.89 0.16 0.00 -0.00 0.00 0.00 39.64 38.91 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 -2.97 0.79 -1.14 7.28 3.14 -1.26 -4.84 118.33 119.33 1don n VAL 47 Ca -0.14 -0.52 -0.05 0.00 -2.96 0.00 0.00 64.34 60.67 1don n VAL 47 Cb 0.95 -0.04 -0.02 0.00 -1.06 0.00 0.00 33.84 33.67 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 0.39 -0.07 -2.55 1.55 0.00 -1.23 -4.92 120.51 113.68 1don n ALA 48 Ca 0.12 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 1don n ALA 48 Cb 0.45 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.86 3.67 -0.18 0.00 2.20 -1.26 -4.75 119.74 117.56 1don s LYS 49 Ca 0.00 -1.37 -0.32 0.00 -0.36 0.00 0.00 55.97 53.92 1don s LYS 49 Cb 0.00 -5.41 -0.09 0.00 -1.51 0.00 0.00 37.83 30.82 1don s LYS 49 CO 0.00 -2.28 2.07 0.39 -0.36 0.00 0.00 175.35 175.17 1don n GLU 50 N 8.73 1.90 -3.78 4.03 1.02 -1.26 -3.25 120.64 128.03 1don n GLU 50 Ca 0.38 0.61 -0.37 0.00 -0.02 0.00 0.00 57.16 57.76 1don n GLU 50 Cb 0.49 -2.81 -0.13 0.00 -0.02 0.00 0.00 31.44 28.97 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 6.22 3.65 0.16 -3.67 1.01 -0.88 -4.86 121.20 122.84 1don s ILE 51 Ca 0.99 -1.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.20 1don s ILE 51 Cb -0.60 -3.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.72 1don s ILE 51 CO 0.45 -0.13 1.65 0.00 0.00 0.00 0.00 174.94 176.91 1don s ALA 53 N 1.58 0.88 -0.20 0.00 0.00 -0.24 -1.30 121.76 122.47 1don s ALA 53 Ca 0.73 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 1don s ALA 53 Cb -0.45 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1don s ALA 53 CO 0.32 0.18 1.77 0.34 0.00 0.00 0.00 175.76 178.38 1don s ASP 54 N -0.59 6.20 0.36 0.00 2.15 -1.26 -1.80 116.67 121.73 1don s ASP 54 Ca 0.02 1.77 0.26 0.00 0.43 0.00 0.00 52.55 55.03 1don s ASP 54 Cb -0.05 -2.53 1.27 0.00 -0.30 0.00 0.00 42.92 41.31 1don s ASP 54 CO 0.00 -1.38 1.78 1.55 -0.17 0.00 0.00 175.17 176.95 1don h PRO 55 N 11.58 0.00 -0.47 4.34 0.13 -1.90 -1.64 132.00 144.04 1don h PRO 55 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1don h PRO 55 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1don h PRO 55 CO 0.99 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.39 1don n LYS 56 N -2.41 1.83 -2.50 0.86 4.01 -1.26 -4.67 118.16 114.02 1don n LYS 56 Ca -0.00 -0.95 -0.24 0.00 -0.51 0.00 0.00 58.31 56.61 1don n LYS 56 Cb 0.12 -1.39 0.04 0.00 -0.51 0.00 0.00 35.03 33.29 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 -1.64 2.57 0.04 1.97 -1.52 -0.62 -5.00 119.66 115.47 1don s GLN 57 Ca 0.17 -0.42 0.23 0.00 -1.95 0.00 0.00 55.36 53.39 1don s GLN 57 Cb 0.10 -2.35 0.13 0.00 -0.22 0.00 0.00 33.01 30.67 1don s GLN 57 CO 0.09 -0.82 1.11 1.17 -0.25 0.00 0.00 175.29 176.59 1don n LYS 58 N -2.54 0.21 -0.05 2.91 3.00 -1.26 -3.46 118.16 116.97 1don n LYS 58 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.31 1don n LYS 58 Cb 0.59 -1.57 -0.14 0.00 0.00 0.00 0.00 35.03 33.90 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 -1.84 0.46 0.69 5.64 4.27 -1.26 -3.81 117.44 121.59 1don n TRP 59 Ca 0.03 0.16 0.13 0.00 -3.89 0.00 0.00 57.50 53.93 1don n TRP 59 Cb 0.41 -1.05 0.47 0.00 -1.36 0.00 0.00 31.31 29.78 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 -2.84 0.49 0.13 -1.67 0.31 -1.26 -2.00 118.33 111.49 1don n VAL 60 Ca -0.23 -0.11 0.01 0.00 -0.01 0.00 0.00 64.34 64.01 1don n VAL 60 Cb 1.05 -0.66 0.05 0.00 -0.91 0.00 0.00 33.84 33.37 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 0.11 5.55 4.20 -1.65 -0.41 115.11 122.91 1don h GLN 61 Ca 0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 1don h GLN 61 Cb 0.59 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1don h GLN 61 CO 0.00 0.58 -1.90 -3.47 -0.67 0.00 0.00 178.83 173.37 1don n ASP 62 N -3.30 2.10 0.13 1.46 -0.08 -1.10 -3.65 116.55 112.11 1don n ASP 62 Ca 0.01 0.24 -0.10 0.00 -1.51 0.00 0.00 54.79 53.43 1don n ASP 62 Cb 0.74 -0.89 -0.06 0.00 2.34 0.00 0.00 41.12 43.25 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 -0.06 -0.34 -0.60 1.67 0.02 -1.48 -1.77 113.55 111.00 1don h SER 63 Ca -0.41 -0.18 0.17 0.00 -0.84 0.00 0.00 61.79 60.53 1don h SER 63 Cb 1.95 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 64.55 1don h SER 63 CO 0.05 0.14 0.66 -0.03 -1.14 0.00 0.00 176.83 176.51 1don h MET 64 N -0.96 0.00 0.16 3.45 1.85 -1.27 0.43 114.93 118.58 1don h MET 64 Ca -0.04 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.72 1don h MET 64 Cb 0.49 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.53 1don h MET 64 CO 0.07 0.00 -1.64 -0.44 -0.40 0.00 0.00 176.91 174.50 1don h ASP 65 N 0.00 0.54 0.03 1.39 5.19 -1.60 -0.31 116.42 121.66 1don h ASP 65 Ca 0.28 -0.77 -0.01 0.00 -0.62 0.00 0.00 57.03 55.92 1don h ASP 65 Cb 1.60 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.93 1don h ASP 65 CO -0.00 1.64 -0.03 -0.74 -3.12 0.00 0.00 179.24 176.99 1don h HIS 66 N 0.09 0.00 0.00 4.55 2.76 0.73 -0.75 115.15 122.53 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 2.07 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.98 1don h HIS 66 CO 0.09 0.03 -1.78 1.28 -1.30 0.00 0.00 177.93 176.24 1don n LEU 67 N -4.39 0.75 0.13 0.26 4.77 -0.57 -2.61 117.00 115.34 1don n LEU 67 Ca -0.03 0.35 0.10 0.00 -0.03 0.00 0.00 56.01 56.41 1don n LEU 67 Cb 0.11 0.21 0.49 0.00 -2.33 0.00 0.00 43.42 41.90 1don n LEU 67 CO 0.33 0.38 0.81 -0.67 -1.33 0.00 0.00 177.39 176.92 1don n ASP 68 N -2.99 0.54 -2.72 -1.43 -0.08 -0.13 -2.40 116.55 107.34 1don n ASP 68 Ca -0.18 0.69 -0.04 0.00 -1.51 0.00 0.00 54.79 53.74 1don n ASP 68 Cb 1.05 -0.78 0.04 0.00 2.34 0.00 0.00 41.12 43.77 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 -2.16 1.95 0.00 -0.67 2.85 -0.41 -4.77 118.16 114.95 1don n LYS 69 Ca 0.01 -3.59 0.11 0.00 -1.05 0.00 0.00 58.31 53.78 1don n LYS 69 Cb 0.13 -1.68 -0.02 0.00 -0.65 0.00 0.00 35.03 32.81 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 -0.58 0.13 0.00 -1.58 10.64 -1.01 -4.46 117.38 120.52 1don n GLN 70 Ca 0.12 -0.10 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 1don n GLN 70 Cb 0.82 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.70 1don n GLN 70 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1don n THR 71 N -1.35 0.00 -2.61 -0.39 5.66 -1.26 -4.92 114.28 109.41 1don n THR 71 Ca 0.05 -0.03 -0.42 0.00 -3.05 0.00 0.00 64.05 60.60 1don n THR 71 Cb 0.34 1.85 0.01 0.00 -1.55 0.00 0.00 70.33 70.98 1don n THR 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1don n GLN 72 N -0.00 4.52 -3.84 1.09 -0.00 -1.26 -4.85 117.38 113.04 1don n GLN 72 Ca 0.00 -4.18 -0.30 0.00 -0.00 0.00 0.00 57.00 52.52 1don n GLN 72 Cb 0.27 -2.62 -0.11 0.00 -0.00 0.00 0.00 30.24 27.78 1don n GLN 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1don s THR 73 N -2.15 3.24 -0.87 -0.39 2.01 -1.26 -5.02 115.64 111.20 1don s THR 73 Ca 0.38 -4.14 -0.26 0.00 0.31 0.00 0.00 61.69 57.98 1don s THR 73 Cb 0.11 -3.09 -0.15 0.00 0.01 0.00 0.00 72.50 69.38 1don s THR 73 CO 0.00 -1.02 2.31 -2.84 -0.69 0.00 0.00 174.62 172.39 1don s PRO 74 N -1.38 1.56 -0.90 4.92 0.02 -1.26 -3.54 135.00 134.42 1don s PRO 74 Ca 0.25 0.22 -0.06 0.00 0.02 0.00 0.00 61.00 61.43 1don s PRO 74 Cb -0.06 -4.85 -0.01 0.00 0.02 0.00 0.00 34.50 29.60 1don s PRO 74 CO -0.15 -4.63 0.74 1.17 -0.33 0.00 0.00 177.00 173.80 1don n LYS 75 N 8.67 -1.49 0.00 5.54 4.81 -1.26 -5.32 118.16 129.11 1don n LYS 75 Ca 0.45 1.02 0.00 0.00 -0.87 0.00 0.00 58.31 58.91 1don n LYS 75 Cb 0.44 -4.76 0.00 0.00 0.02 0.00 0.00 35.03 30.73 1don n LYS 75 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82