#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m05 n ALA 2 N 0.00 0.00 -2.53 0.00 0.00 -1.26 -5.11 120.51 111.62 3m05 n ALA 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3m05 n ALA 2 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3m05 n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3m05 s THR 3 N 0.00 3.23 0.15 0.00 2.01 -1.26 0.11 115.64 119.87 3m05 s THR 3 Ca 0.00 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.11 3m05 s THR 3 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 3m05 s THR 3 CO 0.00 0.38 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.64 3m05 s LYS 4 N -1.38 1.09 -0.18 4.92 -0.14 0.06 -2.58 119.74 121.53 3m05 s LYS 4 Ca 0.16 -1.37 -0.02 0.00 -1.36 0.00 0.00 55.97 53.38 3m05 s LYS 4 Cb -0.11 -0.86 -0.01 0.00 -1.68 0.00 0.00 37.83 35.18 3m05 s LYS 4 CO 0.06 0.14 -0.09 -1.17 -0.76 0.00 0.00 175.35 173.53 3m05 s LEU 5 N -2.84 2.74 -0.13 3.17 2.96 0.19 -1.70 118.68 123.07 3m05 s LEU 5 Ca 0.14 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 3m05 s LEU 5 Cb -0.02 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3m05 s LEU 5 CO 0.03 0.05 0.00 0.54 -1.32 0.00 0.00 176.35 175.65 3m05 s VAL 6 N 1.04 4.27 -0.22 1.68 0.11 -0.62 0.44 120.40 127.10 3m05 s VAL 6 Ca -0.00 -0.24 -0.02 0.00 -2.93 0.00 0.00 61.98 58.79 3m05 s VAL 6 Cb -0.15 -2.85 0.01 0.00 -1.53 0.00 0.00 36.38 31.86 3m05 s VAL 6 CO -0.01 0.53 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.57 3m05 s ILE 7 N -0.16 2.89 -0.16 7.04 1.01 0.51 -1.20 121.20 131.13 3m05 s ILE 7 Ca 0.05 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3m05 s ILE 7 Cb -0.13 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 40.02 3m05 s ILE 7 CO 0.02 0.39 -0.19 0.00 0.00 0.00 0.00 174.94 175.16 3m05 s ALA 8 N 1.39 2.37 -0.11 9.38 0.00 -0.71 -1.03 121.76 133.05 3m05 s ALA 8 Ca 0.04 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 3m05 s ALA 8 Cb -0.15 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 3m05 s ALA 8 CO -0.06 -0.17 0.05 0.42 0.00 0.00 0.00 175.76 176.00 3m05 s ILE 9 N 1.03 4.71 0.09 0.00 1.09 0.72 -0.31 121.20 128.53 3m05 s ILE 9 Ca -0.02 -0.09 -0.24 0.00 -1.10 0.00 0.00 60.65 59.21 3m05 s ILE 9 Cb -0.14 -3.02 0.06 0.00 -1.06 0.00 0.00 42.46 38.30 3m05 s ILE 9 CO -0.06 0.59 0.58 -0.69 -0.10 0.00 0.00 174.94 175.27 3m05 s VAL 10 N -0.79 0.01 0.19 2.92 1.01 -0.07 -1.68 120.40 122.00 3m05 s VAL 10 Ca 0.12 -0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 3m05 s VAL 10 Cb -0.12 -1.01 -0.08 0.00 0.00 0.00 0.00 36.38 35.17 3m05 s VAL 10 CO 0.03 -0.06 0.78 -1.10 0.00 0.00 0.00 175.10 174.74 3m05 s GLN 11 N -2.96 4.50 0.36 2.72 -0.21 -1.26 -1.17 119.66 121.64 3m05 s GLN 11 Ca -0.03 1.10 0.18 0.00 0.02 0.00 0.00 55.36 56.64 3m05 s GLN 11 Cb -0.00 -3.14 1.17 0.00 1.00 0.00 0.00 33.01 32.03 3m05 s GLN 11 CO -0.06 0.51 1.66 -0.44 -2.12 0.00 0.00 175.29 174.84 3m05 h ASP 12 N 4.03 0.45 -0.52 5.90 3.32 -1.88 0.99 116.42 128.72 3m05 h ASP 12 Ca -0.47 0.18 0.08 0.00 0.02 0.00 0.00 57.03 56.84 3m05 h ASP 12 Cb 1.20 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.82 3m05 h ASP 12 CO 0.66 -0.16 0.14 0.11 -1.72 0.00 0.00 179.24 178.26 3m05 h LYS 13 N 0.26 0.28 0.00 3.56 1.79 -1.94 -2.58 116.57 117.94 3m05 h LYS 13 Ca 0.75 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.20 3m05 h LYS 13 Cb 1.86 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.45 3m05 h LYS 13 CO -0.57 0.18 -0.64 -0.44 -1.08 0.00 0.00 179.45 176.90 3m05 h ASP 14 N 0.29 0.00 -0.69 0.86 3.32 -1.18 -3.38 116.42 115.64 3m05 h ASP 14 Ca 0.26 -0.19 0.08 0.00 0.02 0.00 0.00 57.03 57.20 3m05 h ASP 14 Cb 0.33 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3m05 h ASP 14 CO -0.31 0.10 0.46 0.00 -1.72 0.00 0.00 179.24 177.76 3m05 h ALA 15 N 2.47 1.82 0.51 3.45 0.00 -0.92 -1.80 119.26 124.79 3m05 h ALA 15 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3m05 h ALA 15 Cb 0.77 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3m05 h ALA 15 CO 0.00 0.05 -0.25 -0.91 0.00 0.00 0.00 179.25 178.14 3m05 h ASN 16 N 0.63 -0.59 -0.87 0.00 2.35 -1.74 -1.84 115.58 113.52 3m05 h ASN 16 Ca 0.31 0.02 0.19 0.00 -0.55 0.00 0.00 56.30 56.27 3m05 h ASN 16 Cb 0.39 0.15 -0.11 0.00 0.05 0.00 0.00 38.32 38.80 3m05 h ASN 16 CO -0.10 -0.32 0.41 0.22 -1.65 0.00 0.00 177.43 175.98 3m05 h TYR 17 N -0.89 0.69 0.36 1.19 3.20 -1.82 -1.67 116.97 118.04 3m05 h TYR 17 Ca -0.07 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3m05 h TYR 17 Cb 0.53 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 3m05 h TYR 17 CO 0.05 0.05 -0.20 1.25 -1.64 0.00 0.00 178.16 177.67 3m05 h LEU 18 N 0.49 -0.49 -1.60 2.82 6.46 -1.34 -0.27 115.31 121.38 3m05 h LEU 18 Ca 0.52 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 58.31 3m05 h LEU 18 Cb 0.89 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 3m05 h LEU 18 CO -0.46 -0.33 0.27 0.77 -0.62 0.00 0.00 178.44 178.08 3m05 h SER 19 N -0.53 0.47 0.00 1.25 4.64 -0.57 0.18 113.55 118.99 3m05 h SER 19 Ca -0.04 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.14 3m05 h SER 19 Cb 0.42 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3m05 h SER 19 CO 0.06 0.34 -0.40 0.44 -0.87 0.00 0.00 176.83 176.39 3m05 h ASP 20 N 0.55 0.53 0.92 4.97 5.19 -1.16 -2.85 116.42 124.58 3m05 h ASP 20 Ca 0.15 -0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.28 3m05 h ASP 20 Cb -0.05 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 39.32 3m05 h ASP 20 CO -0.03 0.88 -0.46 -0.61 -3.12 0.00 0.00 179.24 175.90 3m05 h GLN 21 N 0.42 -1.21 -0.99 3.56 5.75 0.11 -1.95 115.11 120.79 3m05 h GLN 21 Ca 0.04 0.08 0.37 0.00 -0.15 0.00 0.00 58.65 58.99 3m05 h GLN 21 Cb 0.88 0.28 -0.17 0.00 1.07 0.00 0.00 27.48 29.54 3m05 h GLN 21 CO 0.08 -0.81 0.44 0.74 -2.65 0.00 0.00 178.83 176.63 3m05 h PHE 22 N -1.26 0.67 0.38 3.99 0.05 -0.99 0.20 116.94 119.98 3m05 h PHE 22 Ca -0.13 0.05 -0.02 0.00 3.82 0.00 0.00 57.97 61.69 3m05 h PHE 22 Cb 0.97 -0.12 0.00 0.00 2.00 0.00 0.00 35.95 38.80 3m05 h PHE 22 CO -0.00 -0.41 -0.18 0.82 -0.18 0.00 0.00 178.31 178.35 3m05 h ILE 23 N 0.06 0.36 0.00 -0.55 2.04 -1.26 0.96 117.51 119.12 3m05 h ILE 23 Ca 0.78 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3m05 h ILE 23 Cb 1.93 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3m05 h ILE 23 CO -0.77 0.08 0.00 0.47 0.00 0.00 0.00 178.15 177.93 3m05 n ASP 24 N -5.13 0.14 -0.75 1.72 8.00 -0.56 0.05 116.55 120.02 3m05 n ASP 24 Ca -0.09 0.56 0.08 0.00 0.71 0.00 0.00 54.79 56.06 3m05 n ASP 24 Cb 0.27 -0.58 0.11 0.00 -0.02 0.00 0.00 41.12 40.90 3m05 n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m05 n GLN 25 N -1.68 1.73 -2.82 -1.24 1.13 0.61 -4.98 117.38 110.12 3m05 n GLN 25 Ca 0.01 -1.72 -0.11 0.00 -1.94 0.00 0.00 57.00 53.23 3m05 n GLN 25 Cb 0.05 -1.34 0.05 0.00 0.11 0.00 0.00 30.24 29.11 3m05 n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3m05 n ASN 26 N 0.96 -3.83 -3.90 1.08 5.15 0.11 -4.99 115.26 109.83 3m05 n ASN 26 Ca 0.12 -0.46 -0.29 0.00 -0.60 0.00 0.00 54.58 53.35 3m05 n ASN 26 Cb 0.44 -3.72 -0.16 0.00 -0.53 0.00 0.00 39.78 35.81 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 -3.26 1.23 -0.68 3.44 1.01 0.32 -5.01 120.40 117.45 3m05 s VAL 27 Ca 0.18 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 61.06 3m05 s VAL 27 Cb -0.02 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 3m05 s VAL 27 CO 0.51 0.03 1.64 -0.13 0.00 0.00 0.00 175.10 177.15 3m05 s ARG 28 N 1.56 2.86 0.06 2.72 1.81 -1.26 -4.37 118.95 122.33 3m05 s ARG 28 Ca -0.02 0.20 0.04 0.00 -1.72 0.00 0.00 55.73 54.24 3m05 s ARG 28 Cb -0.17 -4.37 -0.04 0.00 -0.45 0.00 0.00 34.95 29.93 3m05 s ARG 28 CO -0.07 -2.53 -0.02 0.00 -0.68 0.00 0.00 175.30 171.99 3m05 s ALA 29 N 7.78 3.21 -0.04 2.13 0.00 -1.26 -4.04 121.76 129.54 3m05 s ALA 29 Ca 0.55 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 51.50 3m05 s ALA 29 Cb -0.10 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 3m05 s ALA 29 CO 0.17 0.67 -0.24 -0.08 0.00 0.00 0.00 175.76 176.28 3m05 s THR 30 N -1.20 1.92 -0.15 0.00 -1.32 -1.26 -5.03 115.64 108.60 3m05 s THR 30 Ca 0.22 -1.01 -0.00 0.00 -1.21 0.00 0.00 61.69 59.69 3m05 s THR 30 Cb -0.11 -1.62 -0.01 0.00 -1.51 0.00 0.00 72.50 69.25 3m05 s THR 30 CO 0.14 0.54 -0.14 -0.75 -2.21 0.00 0.00 174.62 172.20 3m05 s LYS 31 N -0.29 3.26 0.22 7.08 2.20 -1.26 -4.42 119.74 126.53 3m05 s LYS 31 Ca 0.01 -0.73 0.07 0.00 -0.36 0.00 0.00 55.97 54.97 3m05 s LYS 31 Cb -0.12 -2.64 -0.04 0.00 -1.51 0.00 0.00 37.83 33.52 3m05 s LYS 31 CO 0.02 0.05 0.08 -0.51 -0.36 0.00 0.00 175.35 174.63 3m05 s LEU 32 N 0.73 3.52 -0.09 5.43 1.02 0.47 -4.99 118.68 124.77 3m05 s LEU 32 Ca -0.06 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 53.73 3m05 s LEU 32 Cb -0.15 -2.10 -0.03 0.00 0.02 0.00 0.00 46.19 43.93 3m05 s LEU 32 CO 0.01 0.03 -0.09 -0.94 0.02 0.00 0.00 176.35 175.38 3m05 s SER 33 N -3.40 4.45 0.31 2.29 1.04 -1.26 -1.38 113.70 115.75 3m05 s SER 33 Ca 0.31 -0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.65 3m05 s SER 33 Cb -0.08 -1.33 -0.02 0.00 0.10 0.00 0.00 66.02 64.69 3m05 s SER 33 CO 0.22 0.28 0.17 0.35 0.98 0.00 0.00 173.24 175.24 3m05 n THR 34 N 2.75 0.00 -4.50 2.02 -2.24 -0.46 -4.94 114.28 106.91 3m05 n THR 34 Ca -0.18 -2.00 -0.24 0.00 -2.27 0.00 0.00 64.05 59.36 3m05 n THR 34 Cb 0.53 0.85 -0.11 0.00 -2.10 0.00 0.00 70.33 69.50 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 -2.96 1.88 -0.08 4.28 -4.23 -1.26 -1.77 115.64 111.49 3m05 s THR 35 Ca 0.24 -2.12 -0.32 0.00 -1.18 0.00 0.00 61.69 58.31 3m05 s THR 35 Cb 0.01 -2.64 0.13 0.00 1.34 0.00 0.00 72.50 71.34 3m05 s THR 35 CO 0.17 -0.19 1.39 -0.83 -0.54 0.00 0.00 174.62 174.62 3m05 s GLY 36 N -3.55 -0.38 0.00 3.99 0.00 -0.09 -4.85 107.32 102.44 3m05 s GLY 36 Ca 0.32 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.68 3m05 s GLY 36 CO 0.15 2.44 0.00 0.61 0.00 0.00 0.00 173.10 176.30 3m05 n GLY 37 N -0.66 -0.40 0.36 0.20 0.00 -1.26 -1.39 105.19 102.04 3m05 n GLY 37 Ca -0.04 -1.76 0.02 0.00 0.00 0.00 0.00 46.02 44.24 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 1.04 -0.01 1.61 3.57 -2.02 -1.14 116.94 120.00 3m05 h PHE 38 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3m05 h PHE 38 Cb 0.00 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.39 3m05 h PHE 38 CO 0.00 0.60 -0.17 1.28 -2.23 0.00 0.00 178.31 177.79 3m05 n LEU 39 N -4.45 1.19 -3.70 0.59 4.77 -1.26 -4.93 117.00 109.22 3m05 n LEU 39 Ca 0.12 -0.34 -0.24 0.00 -0.03 0.00 0.00 56.01 55.51 3m05 n LEU 39 Cb 0.12 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3m05 n LEU 39 CO 0.35 0.21 0.10 0.00 -1.33 0.00 0.00 177.39 176.72 3m05 n GLN 40 N -0.36 -6.22 -1.66 3.23 6.02 -0.43 -4.97 117.38 112.99 3m05 n GLN 40 Ca 0.14 0.71 -0.24 0.00 -0.01 0.00 0.00 57.00 57.60 3m05 n GLN 40 Cb 0.35 -5.58 0.16 0.00 1.02 0.00 0.00 30.24 26.20 3m05 n GLN 40 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3m05 n SER 41 N -2.99 0.20 -4.81 1.08 7.64 -0.48 -4.44 113.62 109.81 3m05 n SER 41 Ca -0.11 -1.46 -0.38 0.00 1.01 0.00 0.00 58.87 57.93 3m05 n SER 41 Cb 0.60 -0.82 -0.06 0.00 -1.01 0.00 0.00 64.21 62.92 3m05 n SER 41 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3m05 s GLY 42 N -5.35 2.67 0.27 0.23 0.00 -1.26 -0.91 107.32 102.97 3m05 s GLY 42 Ca 0.62 0.06 -0.00 0.00 0.00 0.00 0.00 44.72 45.40 3m05 s GLY 42 CO 0.43 0.47 0.35 1.16 0.00 0.00 0.00 173.10 175.52 3m05 n ASN 43 N 1.49 -0.97 -4.36 1.64 2.04 -0.73 -4.39 115.26 109.99 3m05 n ASN 43 Ca -0.08 -2.50 -0.23 0.00 -0.44 0.00 0.00 54.58 51.33 3m05 n ASN 43 Cb 0.51 1.86 -0.11 0.00 -2.53 0.00 0.00 39.78 39.50 3m05 n ASN 43 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 3m05 s THR 44 N -2.78 1.95 -0.03 5.53 -4.23 -0.32 -1.35 115.64 114.42 3m05 s THR 44 Ca 0.24 -1.96 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 3m05 s THR 44 Cb -0.00 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.91 3m05 s THR 44 CO 0.17 -0.28 -0.21 -0.89 -0.54 0.00 0.00 174.62 172.87 3m05 s THR 45 N -2.00 1.69 0.00 3.99 2.01 -0.48 -0.89 115.64 119.96 3m05 s THR 45 Ca 0.17 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3m05 s THR 45 Cb -0.06 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 71.03 3m05 s THR 45 CO 0.08 0.48 0.00 0.49 -0.69 0.00 0.00 174.62 174.97 3m05 n PHE 46 N 2.71 -0.38 0.00 4.92 3.72 0.57 -0.39 117.46 128.61 3m05 n PHE 46 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3m05 n PHE 46 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 -0.13 0.00 -2.35 4.37 5.41 -0.34 -1.74 119.36 124.58 3m05 n ILE 48 Ca 0.00 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.32 3m05 n ILE 48 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 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 1.75 0.04 7.39 0.00 -1.26 -1.59 107.32 113.65 3m05 s GLY 49 Ca 0.00 0.61 -0.15 0.00 0.00 0.00 0.00 44.72 45.18 3m05 s GLY 49 CO 0.00 2.51 0.32 -1.50 0.00 0.00 0.00 173.10 174.43 3m05 s ILE 50 N 3.18 0.08 0.22 0.90 1.10 -0.69 -4.68 121.20 121.30 3m05 s ILE 50 Ca 0.59 -0.62 -0.30 0.00 -0.51 0.00 0.00 60.65 59.81 3m05 s ILE 50 Cb -0.25 -0.90 -0.08 0.00 0.15 0.00 0.00 42.46 41.38 3m05 s ILE 50 CO 0.19 -0.34 1.10 -1.83 -2.11 0.00 0.00 174.94 171.95 3m05 s GLU 51 N -2.37 4.62 0.28 3.50 1.03 -1.26 -0.76 118.70 123.74 3m05 s GLU 51 Ca -0.06 1.74 -0.04 0.00 0.03 0.00 0.00 54.97 56.64 3m05 s GLU 51 Cb -0.01 -3.24 0.57 0.00 -0.80 0.00 0.00 34.13 30.64 3m05 s GLU 51 CO -0.02 0.14 1.59 1.49 -1.33 0.00 0.00 175.26 177.13 3m05 h GLU 52 N 4.60 0.04 -0.23 -4.83 4.81 -0.64 0.21 114.58 118.54 3m05 h GLU 52 Ca -0.45 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.84 3m05 h GLU 52 Cb 1.21 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3m05 h GLU 52 CO 0.70 0.02 0.24 1.05 -0.73 0.00 0.00 179.01 180.30 3m05 h GLU 53 N 0.04 0.00 -0.01 1.92 9.09 -1.92 -2.25 114.58 121.45 3m05 h GLU 53 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 3m05 h GLU 53 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 3m05 h GLU 53 CO -0.85 0.00 -0.51 0.54 0.05 0.00 0.00 179.01 178.23 3m05 n ARG 54 N -3.85 0.50 -0.08 1.06 1.74 0.73 -4.58 116.66 112.18 3m05 n ARG 54 Ca 0.03 -0.35 -0.10 0.00 -0.77 0.00 0.00 57.85 56.66 3m05 n ARG 54 Cb 0.37 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 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 0.84 0.15 -0.13 1.55 2.07 -1.43 -1.71 116.25 117.59 3m05 h VAL 55 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3m05 h VAL 55 Cb 0.55 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3m05 h VAL 55 CO 0.00 0.00 0.04 -0.65 0.02 0.00 0.00 177.57 176.98 3m05 h PRO 56 N -0.37 0.17 0.21 1.57 0.11 -1.83 0.31 132.00 132.18 3m05 h PRO 56 Ca 0.12 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.23 3m05 h PRO 56 Cb 0.59 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.62 3m05 h PRO 56 CO -0.50 0.16 -0.39 1.49 -0.21 0.00 0.00 178.00 178.55 3m05 h GLU 57 N 0.18 -0.66 -0.44 1.05 4.81 -1.64 -0.35 114.58 117.53 3m05 h GLU 57 Ca 0.05 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 3m05 h GLU 57 Cb 0.07 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.53 3m05 h GLU 57 CO -0.00 -0.44 0.05 0.28 -0.73 0.00 0.00 179.01 178.17 3m05 h VAL 58 N -0.68 0.72 -0.97 0.32 2.07 -0.05 -0.97 116.25 116.68 3m05 h VAL 58 Ca 0.01 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3m05 h VAL 58 Cb 0.68 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3m05 h VAL 58 CO -0.18 0.03 0.64 -0.07 0.02 0.00 0.00 177.57 178.02 3m05 h LEU 59 N 0.17 1.12 -0.75 2.57 4.07 -0.22 -1.53 115.31 120.74 3m05 h LEU 59 Ca 0.22 -0.03 -0.12 0.00 0.08 0.00 0.00 57.88 58.03 3m05 h LEU 59 Cb 0.29 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3m05 h LEU 59 CO -0.32 0.81 -0.36 -0.08 -1.08 0.00 0.00 178.44 177.41 3m05 h GLU 60 N 1.32 0.54 -0.71 1.13 4.57 -0.57 0.01 114.58 120.87 3m05 h GLU 60 Ca 0.36 -0.25 0.09 0.00 -1.18 0.00 0.00 59.36 58.38 3m05 h GLU 60 Cb -0.15 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.36 3m05 h GLU 60 CO -0.08 0.82 0.35 0.82 -1.18 0.00 0.00 179.01 179.75 3m05 h ILE 61 N 0.45 0.85 0.00 2.32 2.04 -0.23 -2.21 117.51 120.73 3m05 h ILE 61 Ca 0.05 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3m05 h ILE 61 Cb 0.84 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3m05 h ILE 61 CO 0.07 0.11 -0.00 0.40 0.00 0.00 0.00 178.15 178.73 3m05 h ILE 62 N 0.60 1.37 -0.48 -0.67 2.04 -0.87 -2.63 117.51 116.88 3m05 h ILE 62 Ca 0.35 -1.13 0.10 0.00 1.00 0.00 0.00 64.86 65.18 3m05 h ILE 62 Cb 0.37 2.14 -0.09 0.00 -0.74 0.00 0.00 36.82 38.50 3m05 h ILE 62 CO -0.27 0.29 -0.07 0.50 0.00 0.00 0.00 178.15 178.60 3m05 h LYS 63 N -0.49 0.04 -0.75 2.37 3.64 -0.77 0.14 116.57 120.76 3m05 h LYS 63 Ca -0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3m05 h LYS 63 Cb 0.48 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 3m05 h LYS 63 CO 0.00 0.03 0.42 0.87 -2.27 0.00 0.00 179.45 178.50 3m05 h LYS 64 N 0.04 1.04 -0.03 1.90 1.57 -1.46 0.84 116.57 120.47 3m05 h LYS 64 Ca 0.24 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 3m05 h LYS 64 Cb 0.36 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3m05 h LYS 64 CO -0.46 0.76 -0.60 0.00 -0.57 0.00 0.00 179.45 178.58 3m05 h ALA 65 N 1.22 0.93 0.00 3.86 0.00 -0.71 -3.39 119.26 121.17 3m05 h ALA 65 Ca 0.26 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3m05 h ALA 65 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3m05 h ALA 65 CO -0.04 0.74 -0.10 -1.13 0.00 0.00 0.00 179.25 178.72 3m05 n SER 66 N -3.85 0.00 -4.58 0.00 3.41 0.33 -4.88 113.62 104.05 3m05 n SER 66 Ca -0.02 -1.20 -0.33 0.00 -0.26 0.00 0.00 58.87 57.06 3m05 n SER 66 Cb 0.61 -0.04 0.14 0.00 -0.26 0.00 0.00 64.21 64.66 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 0.10 -2.18 7.33 1.44 0.28 -0.78 115.22 121.41 3m05 n HIS 67 Ca 0.00 0.35 -0.42 0.00 -2.01 0.00 0.00 57.72 55.63 3m05 n HIS 67 Cb 0.54 -1.95 -0.03 0.00 0.12 0.00 0.00 29.99 28.67 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 -2.40 3.39 0.22 0.61 2.01 -1.26 -3.31 115.64 114.90 3m05 s THR 68 Ca 0.65 0.96 -0.03 0.00 0.31 0.00 0.00 61.69 63.58 3m05 s THR 68 Cb -0.25 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 3m05 s THR 68 CO 0.59 0.06 0.22 0.00 -0.69 0.00 0.00 174.62 174.80 3m05 s ARG 69 N 1.44 1.33 0.14 4.92 1.04 -0.10 -4.89 118.95 122.83 3m05 s ARG 69 Ca 0.65 -1.59 0.10 0.00 -1.04 0.00 0.00 55.73 53.84 3m05 s ARG 69 Cb -0.36 0.32 -0.04 0.00 -2.04 0.00 0.00 34.95 32.83 3m05 s ARG 69 CO 0.30 -0.47 -0.20 -1.83 -0.04 0.00 0.00 175.30 173.06 3m05 s GLU 70 N -4.04 1.69 0.25 3.89 -1.05 -1.26 0.24 118.70 118.42 3m05 s GLU 70 Ca 0.36 -1.27 0.01 0.00 -0.15 0.00 0.00 54.97 53.92 3m05 s GLU 70 Cb 0.05 -2.04 -0.05 0.00 -0.44 0.00 0.00 34.13 31.65 3m05 s GLU 70 CO 0.13 0.46 0.09 -1.21 0.95 0.00 0.00 175.26 175.67 3m05 s GLU 71 N -2.26 1.38 0.51 -4.83 2.02 0.17 -4.86 118.70 110.82 3m05 s GLU 71 Ca 0.18 -1.74 -0.02 0.00 0.02 0.00 0.00 54.97 53.41 3m05 s GLU 71 Cb -0.10 -0.25 -0.00 0.00 0.10 0.00 0.00 34.13 33.88 3m05 s GLU 71 CO 0.10 -0.28 0.77 -0.06 0.02 0.00 0.00 175.26 175.81 3m05 s PHE 72 N -3.75 3.25 -0.13 1.61 0.40 -1.26 0.70 117.98 118.81 3m05 s PHE 72 Ca 0.36 0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 57.01 3m05 s PHE 72 Cb 0.08 -2.48 0.04 0.00 0.51 0.00 0.00 43.02 41.16 3m05 s PHE 72 CO 0.13 -0.54 0.33 0.99 0.70 0.00 0.00 175.22 176.83 3m05 s THR 74 N -2.74 -0.01 0.35 0.64 2.01 -1.26 -4.90 115.64 109.73 3m05 s THR 74 Ca 0.50 0.03 0.15 0.00 0.31 0.00 0.00 61.69 62.68 3m05 s THR 74 Cb -0.10 -0.48 0.34 0.00 0.01 0.00 0.00 72.50 72.28 3m05 s THR 74 CO 0.41 0.01 1.62 -0.65 -0.69 0.00 0.00 174.62 175.32 3m05 h PRO 75 N 5.99 0.14 -0.66 4.92 0.11 -2.06 -3.50 132.00 136.93 3m05 h PRO 75 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3m05 h PRO 75 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3m05 h PRO 75 CO 0.31 0.09 0.00 2.48 -0.21 0.00 0.00 178.00 180.67 3m05 n TYR 89 N -5.20 0.00 -1.39 0.65 0.18 -1.26 -5.27 117.16 104.87 3m05 n TYR 89 Ca 0.33 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.73 3m05 n TYR 89 Cb 1.07 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 40.07 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 0.28 0.37 -4.33 -3.48 -0.02 -1.26 -5.02 135.00 121.54 3m05 n PRO 90 Ca 0.00 0.15 -0.18 0.00 -2.02 0.00 0.00 63.50 61.45 3m05 n PRO 90 Cb 0.00 -1.57 -0.14 0.00 -0.02 0.00 0.00 33.50 31.77 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 -1.80 0.77 -0.06 4.25 1.10 -1.26 -4.96 121.20 119.23 3m05 s ILE 91 Ca 0.65 -0.57 -0.30 0.00 -0.51 0.00 0.00 60.65 59.92 3m05 s ILE 91 Cb -0.44 -0.67 -0.04 0.00 0.15 0.00 0.00 42.46 41.46 3m05 s ILE 91 CO 0.58 0.10 1.32 -0.75 -2.11 0.00 0.00 174.94 174.08 3m05 s LYS 92 N -0.53 4.29 0.04 3.50 2.20 -1.26 -4.21 119.74 123.77 3m05 s LYS 92 Ca 0.02 1.82 0.03 0.00 -0.36 0.00 0.00 55.97 57.47 3m05 s LYS 92 Cb -0.05 -3.64 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 3m05 s LYS 92 CO 0.00 -0.58 -0.09 0.54 -0.36 0.00 0.00 175.35 174.86 3m05 s VAL 93 N 2.70 0.63 0.10 4.02 0.11 0.22 -4.90 120.40 123.27 3m05 s VAL 93 Ca 0.60 -0.95 -0.23 0.00 -2.93 0.00 0.00 61.98 58.47 3m05 s VAL 93 Cb -0.27 -0.65 -0.07 0.00 -1.53 0.00 0.00 36.38 33.86 3m05 s VAL 93 CO 0.23 -0.25 0.71 -1.58 -3.33 0.00 0.00 175.10 170.88 3m05 s GLN 94 N -1.31 4.44 0.11 1.54 0.74 -1.26 0.43 119.66 124.35 3m05 s GLN 94 Ca -0.06 1.00 -0.07 0.00 0.05 0.00 0.00 55.36 56.28 3m05 s GLN 94 Cb -0.08 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.73 3m05 s GLN 94 CO 0.01 0.50 0.18 0.14 -0.55 0.00 0.00 175.29 175.57 3m05 s VAL 95 N -0.80 0.13 0.00 1.34 -7.23 0.14 -4.94 120.40 109.04 3m05 s VAL 95 Ca 0.34 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 3m05 s VAL 95 Cb -0.21 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.17 3m05 s VAL 95 CO 0.23 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 3m05 n GLY 96 N -0.09 -1.26 0.00 2.32 0.00 -1.26 -0.93 105.19 103.97 3m05 n GLY 96 Ca -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 2.75 2.96 -0.02 0.00 0.04 -4.70 105.19 106.21 3m05 n GLY 97 Ca 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.97 -0.26 -0.09 4.61 0.00 -1.24 -4.08 121.76 119.73 3m05 s ALA 98 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.40 3m05 s ALA 98 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3m05 s ALA 98 CO 0.00 -0.08 -0.21 -0.08 0.00 0.00 0.00 175.76 175.39 3m05 s THR 99 N 0.37 2.35 0.02 0.00 -1.32 -0.67 -4.98 115.64 111.40 3m05 s THR 99 Ca -0.03 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.52 3m05 s THR 99 Cb -0.04 -1.90 -0.01 0.00 -1.51 0.00 0.00 72.50 69.04 3m05 s THR 99 CO -0.01 0.56 -0.03 0.68 -2.21 0.00 0.00 174.62 173.61 3m05 s VAL 100 N 0.05 0.12 -0.01 5.08 -7.23 -1.26 -0.20 120.40 116.96 3m05 s VAL 100 Ca -0.09 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 3m05 s VAL 100 Cb -0.15 -0.22 0.01 0.00 0.56 0.00 0.00 36.38 36.57 3m05 s VAL 100 CO 0.06 -0.33 -0.00 -1.48 -0.31 0.00 0.00 175.10 173.03 3m05 s LEU 101 N -1.02 1.79 -0.20 1.32 2.34 -0.20 -4.99 118.68 117.74 3m05 s LEU 101 Ca -0.10 -0.01 -0.03 0.00 0.06 0.00 0.00 54.13 54.05 3m05 s LEU 101 Cb -0.07 -0.07 -0.01 0.00 -0.56 0.00 0.00 46.19 45.48 3m05 s LEU 101 CO -0.01 -0.02 -0.08 0.54 -1.06 0.00 0.00 176.35 175.73 3m05 s VAL 102 N 0.23 3.15 0.11 1.48 0.11 -1.26 -0.36 120.40 123.85 3m05 s VAL 102 Ca -0.02 -0.58 0.03 0.00 -2.93 0.00 0.00 61.98 58.48 3m05 s VAL 102 Cb -0.03 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 3m05 s VAL 102 CO -0.01 0.46 0.16 -0.76 -3.33 0.00 0.00 175.10 171.63 3m05 s LEU 103 N 1.23 4.05 0.65 2.54 2.01 0.17 -4.95 118.68 124.38 3m05 s LEU 103 Ca 0.03 0.07 -0.15 0.00 0.01 0.00 0.00 54.13 54.08 3m05 s LEU 103 Cb -0.14 -2.67 -0.00 0.00 0.01 0.00 0.00 46.19 43.38 3m05 s LEU 103 CO -0.03 0.13 1.10 -2.16 1.01 0.00 0.00 176.35 176.40 3m05 s PRO 104 N -2.74 2.86 -0.11 1.29 0.04 -1.26 -0.64 135.00 134.44 3m05 s PRO 104 Ca 0.32 1.35 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 3m05 s PRO 104 Cb -0.12 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.49 3m05 s PRO 104 CO 0.25 -1.20 -0.06 0.08 0.04 0.00 0.00 177.00 176.11 3m05 s VAL 105 N -2.38 0.94 0.16 -0.36 1.01 -1.06 -4.62 120.40 114.08 3m05 s VAL 105 Ca 0.66 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 3m05 s VAL 105 Cb -0.20 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.23 3m05 s VAL 105 CO 0.41 0.33 1.63 0.44 0.00 0.00 0.00 175.10 177.91 3m05 h ASP 106 N 8.20 0.89 -4.71 3.32 3.32 -1.98 -3.42 116.42 122.04 3m05 h ASP 106 Ca -0.28 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.40 3m05 h ASP 106 Cb 1.13 -0.24 -0.20 0.00 0.22 0.00 0.00 39.33 40.24 3m05 h ASP 106 CO 0.39 0.96 -0.03 -1.58 -1.72 0.00 0.00 179.24 177.25 3m05 s GLN 107 N -5.09 0.82 -0.07 3.56 0.74 -1.26 -5.04 119.66 113.32 3m05 s GLN 107 Ca -0.12 0.25 -0.03 0.00 0.05 0.00 0.00 55.36 55.51 3m05 s GLN 107 Cb 0.12 0.38 0.04 0.00 1.10 0.00 0.00 33.01 34.66 3m05 s GLN 107 CO 0.83 -0.21 0.14 0.12 -0.55 0.00 0.00 175.29 175.61 3m05 s PHE 108 N -0.84 -0.14 0.04 1.67 5.36 -1.26 -5.11 117.98 117.70 3m05 s PHE 108 Ca -0.09 0.51 0.05 0.00 -0.96 0.00 0.00 56.93 56.44 3m05 s PHE 108 Cb -0.03 -0.22 -0.02 0.00 -0.34 0.00 0.00 43.02 42.41 3m05 s PHE 108 CO 0.06 -0.22 -0.16 -1.21 -1.46 0.00 0.00 175.22 172.23 3m05 s GLU 109 N 1.82 1.03 -0.08 10.12 0.41 -1.26 -5.14 118.70 125.61 3m05 s GLU 109 Ca -0.02 -0.80 0.03 0.00 -0.41 0.00 0.00 54.97 53.77 3m05 s GLU 109 Cb -0.12 -1.07 -0.01 0.00 -1.78 0.00 0.00 34.13 31.15 3m05 s GLU 109 CO -0.05 0.27 -0.19 0.50 -0.49 0.00 0.00 175.26 175.29 3m05 s ARG 110 N -1.16 2.87 0.00 1.61 3.52 -1.26 -5.26 118.95 119.27 3m05 s ARG 110 Ca 0.03 -0.80 0.13 0.00 -0.13 0.00 0.00 55.73 54.96 3m05 s ARG 110 Cb -0.08 -2.37 0.10 0.00 -1.56 0.00 0.00 34.95 31.04 3m05 s ARG 110 CO 0.01 0.35 0.90 1.19 -0.81 0.00 0.00 175.30 176.94