#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m05 s THR 3 N 0.00 5.07 0.17 0.00 2.01 -1.26 0.13 115.64 121.75 3m05 s THR 3 Ca 0.00 0.76 0.09 0.00 0.31 0.00 0.00 61.69 62.84 3m05 s THR 3 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3m05 s THR 3 CO 0.00 0.55 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.76 3m05 s LYS 4 N -1.16 1.28 -0.20 4.92 -0.14 0.31 -2.52 119.74 122.24 3m05 s LYS 4 Ca 0.24 -1.42 -0.02 0.00 -1.36 0.00 0.00 55.97 53.41 3m05 s LYS 4 Cb -0.16 -1.34 -0.00 0.00 -1.68 0.00 0.00 37.83 34.64 3m05 s LYS 4 CO 0.13 0.27 -0.09 -1.17 -0.76 0.00 0.00 175.35 173.74 3m05 s LEU 5 N -2.68 2.70 -0.21 3.17 2.96 0.32 -1.45 118.68 123.49 3m05 s LEU 5 Ca 0.16 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 3m05 s LEU 5 Cb -0.06 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3m05 s LEU 5 CO 0.07 0.00 0.10 0.54 -1.32 0.00 0.00 176.35 175.74 3m05 s VAL 6 N 1.32 4.90 -0.23 1.68 0.11 -0.37 -0.17 120.40 127.64 3m05 s VAL 6 Ca 0.04 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 3m05 s VAL 6 Cb -0.14 -3.25 -0.05 0.00 -1.53 0.00 0.00 36.38 31.41 3m05 s VAL 6 CO -0.05 0.40 0.17 -0.63 -3.33 0.00 0.00 175.10 171.66 3m05 s ILE 7 N 0.80 5.36 -0.13 7.04 1.01 0.25 -1.14 121.20 134.39 3m05 s ILE 7 Ca 0.05 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.92 3m05 s ILE 7 Cb -0.13 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.85 3m05 s ILE 7 CO 0.02 0.36 -0.14 0.00 0.00 0.00 0.00 174.94 175.19 3m05 s ALA 8 N 0.92 1.76 -0.12 9.38 0.00 -0.18 -1.05 121.76 132.48 3m05 s ALA 8 Ca 0.08 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 3m05 s ALA 8 Cb -0.13 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 3m05 s ALA 8 CO 0.03 -0.30 0.01 0.42 0.00 0.00 0.00 175.76 175.92 3m05 s ILE 9 N 1.38 4.34 0.04 0.00 1.09 0.24 0.12 121.20 128.41 3m05 s ILE 9 Ca 0.02 -0.22 -0.24 0.00 -1.10 0.00 0.00 60.65 59.11 3m05 s ILE 9 Cb -0.13 -2.86 0.06 0.00 -1.06 0.00 0.00 42.46 38.46 3m05 s ILE 9 CO -0.08 0.56 0.56 -0.69 -0.10 0.00 0.00 174.94 175.19 3m05 s VAL 10 N -0.41 0.02 0.13 2.92 1.01 0.04 -1.85 120.40 122.25 3m05 s VAL 10 Ca 0.08 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 3m05 s VAL 10 Cb -0.12 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.21 3m05 s VAL 10 CO 0.02 -0.09 0.84 -1.58 0.00 0.00 0.00 175.10 174.29 3m05 s GLN 11 N -2.35 4.63 0.36 2.72 0.74 -1.26 -0.16 119.66 124.33 3m05 s GLN 11 Ca -0.06 1.25 0.17 0.00 0.05 0.00 0.00 55.36 56.77 3m05 s GLN 11 Cb -0.01 -3.32 1.17 0.00 1.10 0.00 0.00 33.01 31.96 3m05 s GLN 11 CO -0.01 0.41 1.64 -0.44 -0.55 0.00 0.00 175.29 176.35 3m05 h ASP 12 N 4.91 0.46 0.49 6.67 3.32 -1.84 0.34 116.42 130.76 3m05 h ASP 12 Ca -0.45 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 3m05 h ASP 12 Cb 1.21 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.92 3m05 h ASP 12 CO 0.69 -0.20 -0.10 0.07 -1.72 0.00 0.00 179.24 177.98 3m05 h LYS 13 N 0.24 0.00 0.00 3.56 2.10 -1.93 -2.27 116.57 118.28 3m05 h LYS 13 Ca 0.76 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.41 3m05 h LYS 13 Cb 1.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.19 3m05 h LYS 13 CO -0.62 0.10 -1.19 -0.25 -2.00 0.00 0.00 179.45 175.49 3m05 n ASP 14 N -3.46 0.80 0.04 7.07 8.00 0.12 -4.60 116.55 124.51 3m05 n ASP 14 Ca -0.01 -0.79 -0.04 0.00 0.71 0.00 0.00 54.79 54.66 3m05 n ASP 14 Cb 0.25 1.18 0.19 0.00 -0.02 0.00 0.00 41.12 42.72 3m05 n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m05 h ALA 15 N 2.80 1.04 0.59 2.24 0.00 -1.00 -2.23 119.26 122.69 3m05 h ALA 15 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3m05 h ALA 15 Cb 0.60 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3m05 h ALA 15 CO 0.00 0.59 -0.28 -0.91 0.00 0.00 0.00 179.25 178.65 3m05 h ASN 16 N 0.34 -0.67 -0.88 0.00 2.35 -1.82 -0.63 115.58 114.26 3m05 h ASN 16 Ca 0.04 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3m05 h ASN 16 Cb 0.79 0.17 -0.05 0.00 0.05 0.00 0.00 38.32 39.29 3m05 h ASN 16 CO 0.06 -0.43 0.58 0.22 -1.65 0.00 0.00 177.43 176.21 3m05 h TYR 17 N -0.87 1.06 -0.21 1.19 3.20 -1.85 -1.84 116.97 117.65 3m05 h TYR 17 Ca -0.08 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 3m05 h TYR 17 Cb 0.64 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3m05 h TYR 17 CO -0.02 0.61 0.05 1.25 -1.64 0.00 0.00 178.16 178.42 3m05 h LEU 18 N 1.10 0.31 -1.04 2.82 6.46 -1.31 -0.58 115.31 123.07 3m05 h LEU 18 Ca 0.35 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.83 3m05 h LEU 18 Cb 0.04 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 3m05 h LEU 18 CO -0.11 0.46 0.03 0.77 -0.62 0.00 0.00 178.44 178.97 3m05 h SER 19 N 0.16 0.68 -0.40 1.25 4.64 -0.34 -0.40 113.55 119.15 3m05 h SER 19 Ca 0.07 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.12 3m05 h SER 19 Cb 0.26 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3m05 h SER 19 CO 0.00 0.73 -0.22 0.44 -0.87 0.00 0.00 176.83 176.91 3m05 h ASP 20 N 0.68 0.92 -0.64 4.97 3.32 -1.31 -2.72 116.42 121.63 3m05 h ASP 20 Ca 0.14 -0.34 0.07 0.00 0.02 0.00 0.00 57.03 56.93 3m05 h ASP 20 Cb 0.37 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 3m05 h ASP 20 CO 0.01 1.10 0.32 -0.61 -1.72 0.00 0.00 179.24 178.33 3m05 h GLN 21 N 0.78 0.55 -0.22 3.56 5.75 0.29 -1.03 115.11 124.79 3m05 h GLN 21 Ca 0.10 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3m05 h GLN 21 Cb 0.76 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 3m05 h GLN 21 CO 0.06 0.37 0.07 0.74 -2.65 0.00 0.00 178.83 177.42 3m05 h PHE 22 N 0.57 0.36 0.11 3.99 0.05 -0.93 -1.82 116.94 119.27 3m05 h PHE 22 Ca 0.30 -0.04 0.00 0.00 3.82 0.00 0.00 57.97 62.06 3m05 h PHE 22 Cb 0.28 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 38.11 3m05 h PHE 22 CO -0.11 0.42 -0.10 0.82 -0.18 0.00 0.00 178.31 179.16 3m05 h ILE 23 N 0.20 0.78 0.00 -0.55 2.04 -1.26 0.25 117.51 118.96 3m05 h ILE 23 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3m05 h ILE 23 Cb 0.23 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3m05 h ILE 23 CO -0.00 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.62 3m05 n ASP 24 N -5.21 0.00 -0.47 1.72 8.00 -0.41 -1.35 116.55 118.82 3m05 n ASP 24 Ca -0.07 0.40 0.04 0.00 0.71 0.00 0.00 54.79 55.86 3m05 n ASP 24 Cb 0.14 -0.44 0.11 0.00 -0.02 0.00 0.00 41.12 40.91 3m05 n ASP 24 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3m05 n GLN 25 N -1.44 2.74 -2.54 -1.24 -0.06 -0.52 -4.96 117.38 109.37 3m05 n GLN 25 Ca 0.03 -1.86 -0.14 0.00 -2.00 0.00 0.00 57.00 53.03 3m05 n GLN 25 Cb 0.10 -1.20 0.01 0.00 -4.06 0.00 0.00 30.24 25.09 3m05 n GLN 25 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 3m05 n ASN 26 N 0.28 -4.32 -4.40 1.69 5.15 -0.46 -4.99 115.26 108.21 3m05 n ASN 26 Ca 0.09 -0.11 -0.36 0.00 -0.60 0.00 0.00 54.58 53.60 3m05 n ASN 26 Cb 0.37 -3.32 -0.13 0.00 -0.53 0.00 0.00 39.78 36.17 3m05 n ASN 26 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3m05 s VAL 27 N -2.82 3.87 -0.69 3.44 1.01 0.77 -5.02 120.40 120.95 3m05 s VAL 27 Ca 0.11 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 3m05 s VAL 27 Cb -0.05 -2.78 0.08 0.00 0.00 0.00 0.00 36.38 33.63 3m05 s VAL 27 CO 0.14 0.39 0.98 -0.13 0.00 0.00 0.00 175.10 176.49 3m05 s ARG 28 N 1.41 3.16 0.01 2.72 0.52 -1.26 -4.02 118.95 121.49 3m05 s ARG 28 Ca 0.05 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 3m05 s ARG 28 Cb -0.15 -4.30 -0.04 0.00 0.52 0.00 0.00 34.95 30.98 3m05 s ARG 28 CO 0.01 -1.82 0.08 0.00 0.02 0.00 0.00 175.30 173.59 3m05 s ALA 29 N 3.95 3.59 -0.04 2.13 0.00 -1.26 -4.20 121.76 125.94 3m05 s ALA 29 Ca 0.23 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.34 3m05 s ALA 29 Cb -0.16 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 3m05 s ALA 29 CO 0.08 0.71 -0.19 -0.08 0.00 0.00 0.00 175.76 176.28 3m05 s THR 30 N -1.24 2.69 -0.09 0.00 -1.32 -1.26 -5.03 115.64 109.39 3m05 s THR 30 Ca 0.24 -0.87 0.04 0.00 -1.21 0.00 0.00 61.69 59.89 3m05 s THR 30 Cb -0.12 -2.02 0.00 0.00 -1.51 0.00 0.00 72.50 68.85 3m05 s THR 30 CO 0.16 0.58 -0.22 -0.75 -2.21 0.00 0.00 174.62 172.18 3m05 s LYS 31 N -0.70 2.81 0.12 7.08 2.20 -1.26 -4.42 119.74 125.56 3m05 s LYS 31 Ca 0.11 -0.80 0.06 0.00 -0.36 0.00 0.00 55.97 54.98 3m05 s LYS 31 Cb -0.10 -2.14 -0.04 0.00 -1.51 0.00 0.00 37.83 34.04 3m05 s LYS 31 CO 0.00 0.15 0.00 -0.51 -0.36 0.00 0.00 175.35 174.64 3m05 s LEU 32 N 0.40 3.41 -0.18 5.43 1.02 -0.33 -5.01 118.68 123.42 3m05 s LEU 32 Ca -0.18 -0.26 -0.06 0.00 0.02 0.00 0.00 54.13 53.65 3m05 s LEU 32 Cb -0.18 -2.12 -0.03 0.00 0.02 0.00 0.00 46.19 43.88 3m05 s LEU 32 CO 0.08 0.14 0.03 -0.94 0.02 0.00 0.00 176.35 175.68 3m05 s SER 33 N -2.56 5.26 0.14 2.29 1.04 -1.26 -1.54 113.70 117.07 3m05 s SER 33 Ca 0.26 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.67 3m05 s SER 33 Cb -0.11 -1.89 -0.01 0.00 0.10 0.00 0.00 66.02 64.11 3m05 s SER 33 CO 0.18 0.14 0.05 0.35 0.98 0.00 0.00 173.24 174.94 3m05 n THR 34 N 3.77 0.00 -4.23 2.02 -2.24 -0.90 -4.94 114.28 107.76 3m05 n THR 34 Ca -0.17 -0.83 -0.15 0.00 -2.27 0.00 0.00 64.05 60.63 3m05 n THR 34 Cb 0.52 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 3m05 n THR 34 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3m05 s THR 35 N -2.08 1.12 0.05 4.28 -4.23 -1.26 -1.59 115.64 111.93 3m05 s THR 35 Ca 0.07 -1.91 -0.13 0.00 -1.18 0.00 0.00 61.69 58.54 3m05 s THR 35 Cb 0.00 -1.68 0.05 0.00 1.34 0.00 0.00 72.50 72.21 3m05 s THR 35 CO 0.05 -0.66 0.63 0.61 -0.54 0.00 0.00 174.62 174.71 3m05 n GLY 36 N 0.09 0.68 0.00 3.99 0.00 -0.43 -4.87 105.19 104.65 3m05 n GLY 36 Ca -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3m05 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m05 n GLY 37 N -0.44 -1.38 0.37 -0.02 0.00 -1.26 -1.01 105.19 101.44 3m05 n GLY 37 Ca 0.01 -1.58 0.10 0.00 0.00 0.00 0.00 46.02 44.54 3m05 n GLY 37 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3m05 h PHE 38 N 0.00 0.86 -0.00 1.61 3.57 -2.02 -0.59 116.94 120.37 3m05 h PHE 38 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3m05 h PHE 38 Cb 0.00 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.46 3m05 h PHE 38 CO 0.00 0.36 -0.36 1.28 -2.23 0.00 0.00 178.31 177.36 3m05 n LEU 39 N -4.54 0.84 -3.16 0.59 4.32 -1.26 -4.97 117.00 108.82 3m05 n LEU 39 Ca 0.16 -0.18 -0.15 0.00 -0.02 0.00 0.00 56.01 55.83 3m05 n LEU 39 Cb 0.39 -0.17 0.07 0.00 -1.62 0.00 0.00 43.42 42.09 3m05 n LEU 39 CO 0.30 0.17 0.06 1.67 -1.22 0.00 0.00 177.39 178.37 3m05 n GLN 40 N -0.97 -3.76 -4.29 3.23 7.27 -0.23 -5.01 117.38 113.63 3m05 n GLN 40 Ca 0.10 0.79 -0.24 0.00 0.07 0.00 0.00 57.00 57.72 3m05 n GLN 40 Cb 0.34 -5.53 -0.08 0.00 2.41 0.00 0.00 30.24 27.38 3m05 n GLN 40 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3m05 s SER 41 N -3.73 4.34 0.22 1.69 0.01 -0.18 -4.59 113.70 111.45 3m05 s SER 41 Ca 0.24 -0.85 -0.31 0.00 1.31 0.00 0.00 55.95 56.34 3m05 s SER 41 Cb -0.03 -0.64 -0.11 0.00 0.21 0.00 0.00 66.02 65.44 3m05 s SER 41 CO 0.68 -0.16 1.64 -0.83 0.41 0.00 0.00 173.24 174.98 3m05 s GLY 42 N -3.71 1.56 0.00 3.44 0.00 -1.26 -1.31 107.32 106.04 3m05 s GLY 42 Ca 0.34 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.58 3m05 s GLY 42 CO 0.20 2.71 0.00 1.16 0.00 0.00 0.00 173.10 177.17 3m05 n ASN 43 N 3.46 0.04 -3.90 1.64 0.23 -0.62 -4.31 115.26 111.80 3m05 n ASN 43 Ca 0.13 -0.41 -0.11 0.00 -0.53 0.00 0.00 54.58 53.66 3m05 n ASN 43 Cb 0.37 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.95 3m05 n ASN 43 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3m05 s THR 44 N -1.38 0.05 0.02 5.53 -4.23 0.77 -2.12 115.64 114.28 3m05 s THR 44 Ca 0.00 -0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.11 3m05 s THR 44 Cb 0.00 -0.20 -0.04 0.00 1.34 0.00 0.00 72.50 73.61 3m05 s THR 44 CO 0.00 -0.23 -0.03 -0.89 -0.54 0.00 0.00 174.62 172.93 3m05 s THR 45 N -0.71 3.93 0.00 3.99 2.01 -0.59 -0.78 115.64 123.49 3m05 s THR 45 Ca -0.08 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3m05 s THR 45 Cb -0.05 -2.76 0.00 0.00 0.01 0.00 0.00 72.50 69.70 3m05 s THR 45 CO -0.00 0.34 0.00 0.49 -0.69 0.00 0.00 174.62 174.76 3m05 n PHE 46 N 1.33 0.00 0.00 4.92 3.72 0.12 -1.18 117.46 126.36 3m05 n PHE 46 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 3m05 n PHE 46 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3m05 n PHE 46 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3m05 n ILE 48 N 0.00 0.00 -2.67 4.37 5.41 -0.29 -1.01 119.36 125.17 3m05 n ILE 48 Ca 0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 3m05 n ILE 48 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 3m05 n ILE 48 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3m05 s GLY 49 N 0.00 2.83 -0.10 7.39 0.00 -1.26 -1.24 107.32 114.95 3m05 s GLY 49 Ca 0.00 0.58 -0.25 0.00 0.00 0.00 0.00 44.72 45.05 3m05 s GLY 49 CO 0.00 1.74 0.58 -1.50 0.00 0.00 0.00 173.10 173.92 3m05 s ILE 50 N 1.04 0.01 0.15 0.90 -1.16 -0.53 -4.75 121.20 116.87 3m05 s ILE 50 Ca 0.53 -0.10 -0.31 0.00 -0.51 0.00 0.00 60.65 60.26 3m05 s ILE 50 Cb -0.22 -0.87 -0.08 0.00 0.61 0.00 0.00 42.46 41.89 3m05 s ILE 50 CO 0.28 -0.05 1.38 -1.83 -2.81 0.00 0.00 174.94 171.90 3m05 s GLU 51 N -0.77 4.33 0.36 3.50 1.03 -1.26 -0.53 118.70 125.37 3m05 s GLU 51 Ca -0.08 2.10 0.20 0.00 0.03 0.00 0.00 54.97 57.21 3m05 s GLU 51 Cb -0.02 -3.22 1.30 0.00 -0.80 0.00 0.00 34.13 31.39 3m05 s GLU 51 CO 0.06 -0.39 1.59 1.49 -1.33 0.00 0.00 175.26 176.68 3m05 h GLU 52 N 6.23 0.05 -0.07 -4.83 4.81 0.77 0.38 114.58 121.92 3m05 h GLU 52 Ca -0.43 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.82 3m05 h GLU 52 Cb 1.21 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 3m05 h GLU 52 CO 0.83 0.03 0.06 0.93 -0.73 0.00 0.00 179.01 180.14 3m05 h GLU 53 N 0.05 0.00 -0.00 1.92 3.07 -1.90 -2.69 114.58 115.03 3m05 h GLU 53 Ca 0.83 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.69 3m05 h GLU 53 Cb 2.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.05 3m05 h GLU 53 CO -0.75 0.00 -0.77 0.54 -1.40 0.00 0.00 179.01 176.63 3m05 n ARG 54 N -4.16 0.10 -0.19 2.33 1.74 0.13 -4.58 116.66 112.04 3m05 n ARG 54 Ca -0.01 -0.07 -0.06 0.00 -0.77 0.00 0.00 57.85 56.93 3m05 n ARG 54 Cb 0.16 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3m05 n ARG 54 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3m05 h VAL 55 N 0.18 0.17 -0.25 1.55 2.07 -1.52 -0.24 116.25 118.21 3m05 h VAL 55 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3m05 h VAL 55 Cb 0.51 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3m05 h VAL 55 CO 0.00 0.00 0.17 -0.65 0.02 0.00 0.00 177.57 177.11 3m05 h PRO 56 N -0.19 0.32 0.68 1.57 0.11 -1.82 0.20 132.00 132.86 3m05 h PRO 56 Ca 0.21 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 3m05 h PRO 56 Cb 0.55 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3m05 h PRO 56 CO -0.65 0.21 -0.44 1.49 -0.21 0.00 0.00 178.00 178.40 3m05 h GLU 57 N 0.33 -1.02 -0.64 1.05 4.81 -1.38 -0.87 114.58 116.86 3m05 h GLU 57 Ca 0.09 0.07 0.13 0.00 -0.13 0.00 0.00 59.36 59.53 3m05 h GLU 57 Cb -0.01 0.23 -0.11 0.00 0.63 0.00 0.00 28.75 29.49 3m05 h GLU 57 CO -0.02 -0.68 0.03 0.28 -0.73 0.00 0.00 179.01 177.89 3m05 h VAL 58 N -1.06 0.50 -0.63 0.32 2.07 -0.44 -1.17 116.25 115.84 3m05 h VAL 58 Ca -0.09 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.41 3m05 h VAL 58 Cb 0.86 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3m05 h VAL 58 CO 0.07 0.03 0.39 -0.07 0.02 0.00 0.00 177.57 178.01 3m05 h LEU 59 N 0.14 0.63 -0.76 2.57 4.07 -0.35 -1.28 115.31 120.34 3m05 h LEU 59 Ca 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.29 3m05 h LEU 59 Cb 0.55 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.13 3m05 h LEU 59 CO -0.53 0.44 0.45 -0.08 -1.08 0.00 0.00 178.44 177.64 3m05 h GLU 60 N 0.76 1.04 -0.90 1.13 4.57 -0.48 0.41 114.58 121.11 3m05 h GLU 60 Ca 0.26 -0.10 0.10 0.00 -1.18 0.00 0.00 59.36 58.43 3m05 h GLU 60 Cb 0.03 -0.21 -0.08 0.00 -0.16 0.00 0.00 28.75 28.33 3m05 h GLU 60 CO -0.11 0.75 0.55 0.82 -1.18 0.00 0.00 179.01 179.84 3m05 h ILE 61 N 1.04 0.94 0.23 2.32 2.04 -0.14 -1.60 117.51 122.34 3m05 h ILE 61 Ca 0.27 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3m05 h ILE 61 Cb -0.02 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.02 3m05 h ILE 61 CO -0.05 0.17 -0.11 0.40 0.00 0.00 0.00 178.15 178.56 3m05 h ILE 62 N 0.91 0.81 -0.77 -0.67 2.04 -0.65 -2.60 117.51 116.59 3m05 h ILE 62 Ca 0.43 -0.80 0.17 0.00 1.00 0.00 0.00 64.86 65.66 3m05 h ILE 62 Cb 0.37 1.24 -0.11 0.00 -0.74 0.00 0.00 36.82 37.58 3m05 h ILE 62 CO -0.24 0.16 0.24 0.50 0.00 0.00 0.00 178.15 178.81 3m05 h LYS 63 N -0.75 0.32 -0.35 2.37 3.64 -0.63 0.25 116.57 121.43 3m05 h LYS 63 Ca -0.03 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 3m05 h LYS 63 Cb 0.50 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3m05 h LYS 63 CO 0.05 0.21 -0.21 0.87 -2.27 0.00 0.00 179.45 178.11 3m05 h LYS 64 N 0.33 0.66 0.00 1.90 1.57 -1.33 -0.83 116.57 118.87 3m05 h LYS 64 Ca 0.44 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.87 3m05 h LYS 64 Cb 0.75 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 3m05 h LYS 64 CO -0.49 0.82 -0.62 0.00 -0.57 0.00 0.00 179.45 178.58 3m05 h ALA 65 N 1.19 0.68 0.00 3.86 0.00 -0.62 -3.39 119.26 120.97 3m05 h ALA 65 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3m05 h ALA 65 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3m05 h ALA 65 CO 0.05 0.63 0.00 -1.13 0.00 0.00 0.00 179.25 178.80 3m05 n SER 66 N -3.16 0.00 -4.57 0.00 3.41 -0.12 -4.85 113.62 104.32 3m05 n SER 66 Ca 0.00 -1.00 -0.33 0.00 -0.26 0.00 0.00 58.87 57.28 3m05 n SER 66 Cb 0.74 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.82 3m05 n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m05 n HIS 67 N 0.00 0.06 -2.26 7.33 1.44 -0.32 0.12 115.22 121.59 3m05 n HIS 67 Ca 0.00 0.34 -0.41 0.00 -2.01 0.00 0.00 57.72 55.65 3m05 n HIS 67 Cb 0.44 -1.95 -0.03 0.00 0.12 0.00 0.00 29.99 28.57 3m05 n HIS 67 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3m05 s THR 68 N -2.33 3.05 0.37 0.61 2.01 -1.26 -3.15 115.64 114.94 3m05 s THR 68 Ca 0.65 1.03 -0.13 0.00 0.31 0.00 0.00 61.69 63.55 3m05 s THR 68 Cb -0.26 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.65 3m05 s THR 68 CO 0.59 0.24 0.73 -2.11 -0.69 0.00 0.00 174.62 173.37 3m05 n ARG 69 N 1.15 1.05 -4.53 4.92 -4.01 0.11 -4.85 116.66 110.50 3m05 n ARG 69 Ca 0.00 -2.10 -0.33 0.00 -1.04 0.00 0.00 57.85 54.38 3m05 n ARG 69 Cb 0.43 2.60 -0.11 0.00 -3.04 0.00 0.00 32.46 32.34 3m05 n ARG 69 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 3m05 s GLU 70 N -2.11 2.67 0.29 2.89 2.02 -1.26 0.11 118.70 123.32 3m05 s GLU 70 Ca 0.15 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.55 3m05 s GLU 70 Cb -0.04 -2.56 -0.05 0.00 0.10 0.00 0.00 34.13 31.57 3m05 s GLU 70 CO 0.11 0.64 0.09 -1.21 0.02 0.00 0.00 175.26 174.91 3m05 s GLU 71 N -1.10 1.53 0.34 1.61 2.02 0.26 -4.89 118.70 118.46 3m05 s GLU 71 Ca 0.15 -1.84 0.01 0.00 0.02 0.00 0.00 54.97 53.30 3m05 s GLU 71 Cb -0.11 -0.50 -0.03 0.00 0.10 0.00 0.00 34.13 33.59 3m05 s GLU 71 CO 0.04 -0.27 0.54 -0.06 0.02 0.00 0.00 175.26 175.53 3m05 s PHE 72 N -3.56 3.50 -0.27 1.61 0.08 -1.26 0.65 117.98 118.74 3m05 s PHE 72 Ca 0.37 0.33 -0.13 0.00 0.12 0.00 0.00 56.93 57.61 3m05 s PHE 72 Cb 0.08 -1.88 0.09 0.00 -0.57 0.00 0.00 43.02 40.74 3m05 s PHE 72 CO 0.15 0.14 0.64 0.99 -0.10 0.00 0.00 175.22 177.04 3m05 s THR 74 N -2.29 -0.29 0.12 0.64 2.01 -1.26 -4.90 115.64 109.67 3m05 s THR 74 Ca 0.40 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 62.10 3m05 s THR 74 Cb -0.10 -0.95 -0.08 0.00 0.01 0.00 0.00 72.50 71.39 3m05 s THR 74 CO 0.35 0.01 1.36 -2.84 -0.69 0.00 0.00 174.62 172.81 3m05 s PRO 75 N 1.98 4.34 -1.02 4.92 0.02 -1.26 -5.08 135.00 138.90 3m05 s PRO 75 Ca -0.09 2.04 -0.03 0.00 0.02 0.00 0.00 61.00 62.95 3m05 s PRO 75 Cb -0.07 -3.25 0.30 0.00 0.02 0.00 0.00 34.50 31.50 3m05 s PRO 75 CO -0.19 -0.40 1.43 0.43 -0.33 0.00 0.00 177.00 177.94 3m05 n SER 76 N 3.84 6.20 -3.16 2.53 7.64 -1.26 -5.14 113.62 124.28 3m05 n SER 76 Ca 0.11 -3.45 -0.28 0.00 1.01 0.00 0.00 58.87 56.26 3m05 n SER 76 Cb 0.43 -1.18 0.03 0.00 -1.01 0.00 0.00 64.21 62.47 3m05 n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m05 n TYR 89 N 1.11 -1.89 -1.18 1.43 0.18 -1.26 -5.35 117.16 110.19 3m05 n TYR 89 Ca 0.28 0.80 -0.36 0.00 1.88 0.00 0.00 57.90 60.50 3m05 n TYR 89 Cb 0.33 -1.41 0.06 0.00 -0.38 0.00 0.00 39.34 37.95 3m05 n TYR 89 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 3m05 n PRO 90 N 0.12 0.16 -3.95 -3.48 -0.02 -1.26 -4.93 135.00 121.64 3m05 n PRO 90 Ca -0.06 0.08 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 3m05 n PRO 90 Cb 0.58 -1.57 -0.11 0.00 -0.02 0.00 0.00 33.50 32.39 3m05 n PRO 90 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3m05 s ILE 91 N -1.98 0.10 -0.26 4.25 1.10 -1.26 -5.01 121.20 118.14 3m05 s ILE 91 Ca 0.60 -0.85 -0.27 0.00 -0.51 0.00 0.00 60.65 59.62 3m05 s ILE 91 Cb -0.34 -0.33 0.01 0.00 0.15 0.00 0.00 42.46 41.95 3m05 s ILE 91 CO 0.64 -0.47 0.97 -0.54 -2.11 0.00 0.00 174.94 173.43 3m05 s LYS 92 N -1.46 4.16 0.03 3.50 1.02 -1.26 -4.15 119.74 121.58 3m05 s LYS 92 Ca -0.15 1.11 0.08 0.00 0.02 0.00 0.00 55.97 57.03 3m05 s LYS 92 Cb -0.09 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 3m05 s LYS 92 CO -0.00 -0.68 -0.25 0.08 -0.92 0.00 0.00 175.35 173.58 3m05 s VAL 93 N 3.20 1.99 0.12 3.17 1.01 0.21 -4.89 120.40 125.22 3m05 s VAL 93 Ca 0.41 -1.28 -0.21 0.00 0.00 0.00 0.00 61.98 60.90 3m05 s VAL 93 Cb -0.14 -1.70 -0.07 0.00 0.00 0.00 0.00 36.38 34.47 3m05 s VAL 93 CO 0.09 0.37 0.66 -1.58 0.00 0.00 0.00 175.10 174.63 3m05 s GLN 94 N -1.09 4.32 0.15 2.72 0.74 -1.26 0.93 119.66 126.18 3m05 s GLN 94 Ca 0.10 0.89 -0.09 0.00 0.05 0.00 0.00 55.36 56.31 3m05 s GLN 94 Cb -0.10 -3.20 -0.01 0.00 1.10 0.00 0.00 33.01 30.81 3m05 s GLN 94 CO 0.01 0.58 0.28 0.14 -0.55 0.00 0.00 175.29 175.76 3m05 s VAL 95 N -1.18 0.07 0.00 1.34 -7.23 0.30 -4.93 120.40 108.77 3m05 s VAL 95 Ca 0.33 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 3m05 s VAL 95 Cb -0.20 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 34.99 3m05 s VAL 95 CO 0.22 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 3m05 n GLY 96 N -0.20 0.10 0.00 2.32 0.00 -1.26 -0.72 105.19 105.43 3m05 n GLY 96 Ca -0.09 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3m05 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m05 n GLY 97 N 0.00 1.38 3.38 -0.02 0.00 0.12 -4.67 105.19 105.38 3m05 n GLY 97 Ca 0.00 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.45 3m05 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m05 s ALA 98 N -0.21 2.09 -0.09 4.61 0.00 -1.21 -4.26 121.76 122.69 3m05 s ALA 98 Ca 0.00 -1.83 -0.06 0.00 0.00 0.00 0.00 51.96 50.07 3m05 s ALA 98 Cb 0.00 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.47 3m05 s ALA 98 CO 0.00 -0.15 0.22 -0.08 0.00 0.00 0.00 175.76 175.75 3m05 s THR 99 N -3.20 -0.03 -0.03 0.00 -1.32 -0.77 -5.00 115.64 105.29 3m05 s THR 99 Ca 0.29 0.09 -0.08 0.00 -1.21 0.00 0.00 61.69 60.78 3m05 s THR 99 Cb 0.05 -0.33 0.01 0.00 -1.51 0.00 0.00 72.50 70.71 3m05 s THR 99 CO 0.10 0.04 0.18 0.68 -2.21 0.00 0.00 174.62 173.41 3m05 s VAL 100 N 0.79 0.05 -0.01 5.08 -7.23 -1.26 -0.59 120.40 117.22 3m05 s VAL 100 Ca -0.06 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.75 3m05 s VAL 100 Cb -0.07 -0.39 0.01 0.00 0.56 0.00 0.00 36.38 36.49 3m05 s VAL 100 CO -0.05 -0.21 -0.04 -1.48 -0.31 0.00 0.00 175.10 173.01 3m05 s LEU 101 N -0.75 1.75 -0.17 1.32 2.34 -0.21 -5.01 118.68 117.95 3m05 s LEU 101 Ca -0.08 -0.08 -0.03 0.00 0.06 0.00 0.00 54.13 54.00 3m05 s LEU 101 Cb -0.05 -0.28 -0.02 0.00 -0.56 0.00 0.00 46.19 45.28 3m05 s LEU 101 CO 0.01 0.01 -0.07 0.54 -1.06 0.00 0.00 176.35 175.79 3m05 s VAL 102 N 0.25 3.46 0.24 1.48 0.11 -1.26 -0.58 120.40 124.10 3m05 s VAL 102 Ca -0.03 -0.50 0.09 0.00 -2.93 0.00 0.00 61.98 58.62 3m05 s VAL 102 Cb -0.06 -2.52 -0.04 0.00 -1.53 0.00 0.00 36.38 32.23 3m05 s VAL 102 CO -0.00 0.48 0.01 -0.76 -3.33 0.00 0.00 175.10 171.49 3m05 s LEU 103 N 0.71 3.25 0.76 2.54 1.43 0.76 -4.94 118.68 123.18 3m05 s LEU 103 Ca -0.03 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 3m05 s LEU 103 Cb -0.15 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.32 3m05 s LEU 103 CO 0.02 0.02 1.11 -2.16 0.23 0.00 0.00 176.35 175.57 3m05 s PRO 104 N -3.50 2.24 -0.02 1.29 0.04 -1.26 -0.52 135.00 133.28 3m05 s PRO 104 Ca 0.30 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.68 3m05 s PRO 104 Cb -0.07 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3m05 s PRO 104 CO 0.20 -1.68 -0.07 0.14 0.04 0.00 0.00 177.00 175.63 3m05 s VAL 105 N -2.67 0.63 0.11 -0.36 -7.23 -1.05 -4.59 120.40 105.24 3m05 s VAL 105 Ca 0.64 -0.30 -0.11 0.00 -1.81 0.00 0.00 61.98 60.40 3m05 s VAL 105 Cb -0.19 -0.55 -0.17 0.00 0.56 0.00 0.00 36.38 36.03 3m05 s VAL 105 CO 0.52 0.19 1.30 0.44 -0.31 0.00 0.00 175.10 177.24 3m05 h ASP 106 N 6.24 0.86 -4.23 4.85 3.32 -1.98 -3.42 116.42 122.06 3m05 h ASP 106 Ca -0.32 -0.60 -0.10 0.00 0.02 0.00 0.00 57.03 56.04 3m05 h ASP 106 Cb 1.18 -0.26 -0.22 0.00 0.22 0.00 0.00 39.33 40.25 3m05 h ASP 106 CO 0.49 1.39 -0.11 -1.58 -1.72 0.00 0.00 179.24 177.72 3m05 s GLN 107 N -3.62 0.66 -0.04 3.56 0.74 -1.26 -5.04 119.66 114.66 3m05 s GLN 107 Ca -0.09 0.50 0.01 0.00 0.05 0.00 0.00 55.36 55.83 3m05 s GLN 107 Cb 0.08 0.32 0.02 0.00 1.10 0.00 0.00 33.01 34.53 3m05 s GLN 107 CO 0.90 -0.12 -0.06 0.12 -0.55 0.00 0.00 175.29 175.57 3m05 s PHE 108 N -0.17 0.89 -0.00 1.67 5.36 -1.26 -5.11 117.98 119.35 3m05 s PHE 108 Ca -0.04 -0.26 0.02 0.00 -0.96 0.00 0.00 56.93 55.69 3m05 s PHE 108 Cb -0.03 -0.73 -0.01 0.00 -0.34 0.00 0.00 43.02 41.91 3m05 s PHE 108 CO 0.02 -0.19 -0.07 -1.21 -1.46 0.00 0.00 175.22 172.32 3m05 s GLU 109 N 0.75 0.55 -0.07 10.12 0.41 -1.26 -5.14 118.70 124.06 3m05 s GLU 109 Ca -0.11 -0.28 0.03 0.00 -0.41 0.00 0.00 54.97 54.20 3m05 s GLU 109 Cb -0.14 -0.52 -0.02 0.00 -1.78 0.00 0.00 34.13 31.67 3m05 s GLU 109 CO 0.01 0.14 -0.15 0.50 -0.49 0.00 0.00 175.26 175.27 3m05 s ARG 110 N -0.26 2.70 0.00 1.61 3.00 -1.26 -5.27 118.95 119.47 3m05 s ARG 110 Ca 0.02 -0.71 0.01 0.00 -1.00 0.00 0.00 55.73 54.05 3m05 s ARG 110 Cb -0.03 -2.42 0.01 0.00 0.00 0.00 0.00 34.95 32.51 3m05 s ARG 110 CO -0.00 0.52 0.54 1.19 0.00 0.00 0.00 175.30 177.55