#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v76 s VAL 38 N 0.00 5.13 0.24 1.55 1.01 -1.26 -4.99 120.40 122.07 1v76 s VAL 38 Ca 0.00 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1v76 s VAL 38 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1v76 s VAL 38 CO 0.00 0.55 0.09 0.42 0.00 0.00 0.00 175.10 176.16 1v76 s THR 39 N -0.84 0.48 0.47 3.92 -4.23 -1.26 -4.84 115.64 109.34 1v76 s THR 39 Ca 0.22 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.87 1v76 s THR 39 Cb -0.16 -2.55 0.23 0.00 1.34 0.00 0.00 72.50 71.37 1v76 s THR 39 CO 0.11 -0.06 2.06 -0.09 -0.54 0.00 0.00 174.62 176.10 1v76 h ARG 40 N 2.47 0.09 0.15 3.99 9.65 -1.97 -0.53 114.38 128.23 1v76 h ARG 40 Ca -0.38 -0.01 -0.29 0.00 -1.10 0.00 0.00 59.98 58.20 1v76 h ARG 40 Cb 1.24 -0.02 0.03 0.00 -1.39 0.00 0.00 29.97 29.83 1v76 h ARG 40 CO 0.60 0.14 -1.23 0.07 2.80 0.00 0.00 179.97 182.34 1v76 h ARG 41 N 0.09 0.57 -0.00 0.20 0.11 -2.01 -3.36 114.38 109.98 1v76 h ARG 41 Ca 0.02 -0.81 0.00 0.00 0.10 0.00 0.00 59.98 59.29 1v76 h ARG 41 Cb 0.13 0.28 0.00 0.00 1.11 0.00 0.00 29.97 31.49 1v76 h ARG 41 CO 0.01 1.37 -0.50 0.27 0.10 0.00 0.00 179.97 181.22 1v76 n ASN 42 N -3.83 0.90 0.32 0.08 0.23 -1.09 -4.11 115.26 107.76 1v76 n ASN 42 Ca -0.14 -0.70 0.21 0.00 -0.53 0.00 0.00 54.58 53.42 1v76 n ASN 42 Cb 0.99 0.36 1.10 0.00 -2.08 0.00 0.00 39.78 40.15 1v76 n ASN 42 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1v76 h ILE 43 N 0.62 0.07 -0.31 1.53 2.10 -1.25 -0.10 117.51 120.18 1v76 h ILE 43 Ca 0.00 -0.10 0.05 0.00 1.08 0.00 0.00 64.86 65.89 1v76 h ILE 43 Cb 0.53 1.09 -0.02 0.00 -1.09 0.00 0.00 36.82 37.34 1v76 h ILE 43 CO 0.00 0.01 0.21 0.40 -1.08 0.00 0.00 178.15 177.69 1v76 h ILE 44 N 0.00 0.95 0.00 2.19 1.08 -1.81 -3.10 117.51 116.82 1v76 h ILE 44 Ca -0.00 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1v76 h ILE 44 Cb 0.09 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 1v76 h ILE 44 CO 0.00 0.04 -0.68 -2.67 -0.69 0.00 0.00 178.15 174.15 1v76 n TRP 45 N -4.48 0.00 -1.90 1.37 4.27 -0.60 -4.80 117.44 111.30 1v76 n TRP 45 Ca 0.03 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.29 1v76 n TRP 45 Cb 0.23 -0.03 0.04 0.00 -1.36 0.00 0.00 31.31 30.20 1v76 n TRP 45 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1v76 s HIS 46 N -1.75 2.41 0.40 -2.67 2.46 -0.15 -4.01 115.29 111.98 1v76 s HIS 46 Ca -0.00 1.54 -0.27 0.00 0.47 0.00 0.00 55.06 56.81 1v76 s HIS 46 Cb 0.01 -3.39 -0.09 0.00 -0.13 0.00 0.00 32.58 28.98 1v76 s HIS 46 CO 0.09 -2.09 1.35 -1.21 -2.47 0.00 0.00 174.74 170.41 1v76 s GLU 47 N -3.57 3.99 -0.15 2.88 8.01 -1.26 -4.92 118.70 123.69 1v76 s GLU 47 Ca 0.74 2.28 0.12 0.00 0.01 0.00 0.00 54.97 58.12 1v76 s GLU 47 Cb -0.27 -2.81 -0.17 0.00 -4.31 0.00 0.00 34.13 26.56 1v76 s GLU 47 CO 0.36 -0.52 0.03 1.28 0.01 0.00 0.00 175.26 176.42 1v76 n LEU 48 N 0.21 0.26 -4.67 1.80 4.77 -1.26 -4.91 117.00 113.21 1v76 n LEU 48 Ca 0.03 -0.01 -0.45 0.00 -0.03 0.00 0.00 56.01 55.55 1v76 n LEU 48 Cb 0.42 0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 1v76 n LEU 48 CO 0.58 0.40 1.04 -0.38 -1.33 0.00 0.00 177.39 177.70 1v76 n ILE 49 N -2.58 0.72 0.00 -0.08 5.41 -1.26 -1.31 119.36 120.26 1v76 n ILE 49 Ca -0.24 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1v76 n ILE 49 Cb 0.96 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 1v76 n ILE 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1v76 n GLY 50 N 2.43 2.59 3.87 7.39 0.00 0.05 -4.98 105.19 116.54 1v76 n GLY 50 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1v76 n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v76 s LEU 51 N 0.00 3.80 0.04 0.99 1.43 -0.43 -4.80 118.68 119.70 1v76 s LEU 51 Ca 0.00 1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 54.16 1v76 s LEU 51 Cb 0.00 -4.13 -0.06 0.00 0.03 0.00 0.00 46.19 42.03 1v76 s LEU 51 CO 0.00 -0.43 0.52 -0.60 0.23 0.00 0.00 176.35 176.07 1v76 s ARG 52 N -3.85 4.13 0.06 1.70 3.52 -1.26 -1.16 118.95 122.10 1v76 s ARG 52 Ca 0.53 0.63 0.01 0.00 -0.13 0.00 0.00 55.73 56.77 1v76 s ARG 52 Cb -0.10 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1v76 s ARG 52 CO 0.31 0.61 -0.05 0.54 -0.81 0.00 0.00 175.30 175.89 1v76 s VAL 53 N -0.94 0.41 -0.02 7.11 0.11 0.15 -1.19 120.40 126.03 1v76 s VAL 53 Ca 0.27 -1.51 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 1v76 s VAL 53 Cb -0.18 -1.12 0.03 0.00 -1.53 0.00 0.00 36.38 33.57 1v76 s VAL 53 CO 0.17 -0.73 0.01 -0.60 -3.33 0.00 0.00 175.10 170.62 1v76 s ARG 54 N -2.90 0.19 -0.48 1.54 3.52 -0.58 -1.26 118.95 118.98 1v76 s ARG 54 Ca 0.00 0.10 -0.25 0.00 -0.13 0.00 0.00 55.73 55.46 1v76 s ARG 54 Cb -0.00 -0.39 0.03 0.00 -1.56 0.00 0.00 34.95 33.02 1v76 s ARG 54 CO -0.04 -0.13 0.90 0.42 -0.81 0.00 0.00 175.30 175.63 1v76 s ILE 55 N 0.97 4.49 -2.75 4.11 1.09 -0.49 -0.97 121.20 127.65 1v76 s ILE 55 Ca -0.09 0.55 0.22 0.00 -1.10 0.00 0.00 60.65 60.23 1v76 s ILE 55 Cb -0.13 -4.44 0.19 0.00 -1.06 0.00 0.00 42.46 37.03 1v76 s ILE 55 CO -0.02 -0.88 1.22 1.33 -0.10 0.00 0.00 174.94 176.48 1v76 n VAL 56 N 6.31 0.04 -3.58 2.92 0.24 -0.62 -4.65 118.33 118.98 1v76 n VAL 56 Ca 0.04 -0.52 -0.06 0.00 -2.04 0.00 0.00 64.34 61.76 1v76 n VAL 56 Cb 0.48 1.43 -0.02 0.00 -1.47 0.00 0.00 33.84 34.26 1v76 n VAL 56 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1v76 s GLY 57 N -1.82 -0.39 -0.13 7.63 0.00 -1.12 -4.98 107.32 106.50 1v76 s GLY 57 Ca 0.27 0.80 -0.19 0.00 0.00 0.00 0.00 44.72 45.60 1v76 s GLY 57 CO 0.28 0.25 0.49 -1.35 0.00 0.00 0.00 173.10 172.77 1v76 s SER 58 N -2.60 -0.48 0.00 1.64 1.04 -1.26 -0.52 113.70 111.52 1v76 s SER 58 Ca 0.08 0.77 0.20 0.00 0.48 0.00 0.00 55.95 57.48 1v76 s SER 58 Cb -0.01 0.80 1.04 0.00 0.10 0.00 0.00 66.02 67.95 1v76 s SER 58 CO -0.06 -0.30 1.64 0.35 0.98 0.00 0.00 173.24 175.85 1v76 n THR 59 N 2.17 0.36 -3.82 2.02 -2.24 0.29 -4.73 114.28 108.33 1v76 n THR 59 Ca -0.16 0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1v76 n THR 59 Cb 0.56 -0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 67.97 1v76 n THR 59 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1v76 s HIS 60 N -2.55 0.05 0.10 4.78 -3.43 -1.26 -5.11 115.29 107.86 1v76 s HIS 60 Ca 0.20 -0.33 -0.35 0.00 -0.80 0.00 0.00 55.06 53.77 1v76 s HIS 60 Cb 0.14 -0.00 -0.15 0.00 -1.43 0.00 0.00 32.58 31.14 1v76 s HIS 60 CO 0.31 -0.50 1.50 -2.30 -2.00 0.00 0.00 174.74 171.74 1v76 n PRO 61 N 0.34 1.68 0.00 -0.38 -0.02 -1.26 -4.90 135.00 130.46 1v76 n PRO 61 Ca -0.17 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1v76 n PRO 61 Cb 0.61 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1v76 n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1v76 n ALA 62 N 3.27 0.00 -2.41 3.55 0.00 -1.26 -5.13 120.51 118.53 1v76 n ALA 62 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 1v76 n ALA 62 Cb 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.55 1v76 n ALA 62 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1v76 s PHE 63 N 3.32 2.46 0.06 0.00 0.40 -1.26 -5.13 117.98 117.83 1v76 s PHE 63 Ca 0.00 -0.32 -0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1v76 s PHE 63 Cb 0.00 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 1v76 s PHE 63 CO 0.00 0.20 0.24 0.08 0.70 0.00 0.00 175.22 176.44 1v76 s VAL 64 N -0.87 5.35 0.00 -0.44 1.01 -1.26 -4.55 120.40 119.65 1v76 s VAL 64 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1v76 s VAL 64 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1v76 s VAL 64 CO 0.04 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1v76 n GLY 65 N 0.40 0.60 3.65 4.51 0.00 -1.26 -5.02 105.19 108.08 1v76 n GLY 65 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1v76 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v76 s ILE 66 N -2.00 4.20 -0.07 -0.61 1.01 -1.26 -4.96 121.20 117.50 1v76 s ILE 66 Ca 0.00 1.42 -0.27 0.00 0.00 0.00 0.00 60.65 61.80 1v76 s ILE 66 Cb 0.00 -4.01 0.06 0.00 0.01 0.00 0.00 42.46 38.53 1v76 s ILE 66 CO 0.00 -0.22 0.62 -0.70 0.00 0.00 0.00 174.94 174.64 1v76 s GLU 67 N 3.74 0.96 0.00 2.79 2.12 -1.26 -1.40 118.70 125.65 1v76 s GLU 67 Ca 0.56 0.28 0.00 0.00 0.36 0.00 0.00 54.97 56.17 1v76 s GLU 67 Cb -0.21 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1v76 s GLU 67 CO 0.18 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 1v76 n GLY 68 N 1.21 -0.38 3.68 -1.50 0.00 -0.39 -3.97 105.19 103.84 1v76 n GLY 68 Ca -0.19 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 1v76 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1v76 s TYR 69 N -3.47 3.19 -0.17 1.61 1.51 -0.57 0.31 117.35 119.77 1v76 s TYR 69 Ca 0.00 0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.94 1v76 s TYR 69 Cb 0.00 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1v76 s TYR 69 CO 0.00 0.42 1.57 0.08 -1.11 0.00 0.00 175.55 176.52 1v76 s VAL 70 N -0.69 3.75 -0.74 0.71 1.01 -0.30 -0.79 120.40 123.35 1v76 s VAL 70 Ca 0.11 0.88 0.16 0.00 0.00 0.00 0.00 61.98 63.13 1v76 s VAL 70 Cb -0.12 -3.68 -0.18 0.00 0.00 0.00 0.00 36.38 32.40 1v76 s VAL 70 CO 0.02 -0.21 0.68 2.30 0.00 0.00 0.00 175.10 177.89 1v76 n ILE 71 N 6.00 0.00 -3.49 2.22 -5.35 0.48 -0.77 119.36 118.45 1v76 n ILE 71 Ca 0.18 -0.13 -0.10 0.00 -0.27 0.00 0.00 62.75 62.43 1v76 n ILE 71 Cb 0.44 0.98 -0.02 0.00 -1.74 0.00 0.00 39.64 39.30 1v76 n ILE 71 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1v76 s ASP 72 N -2.55 -0.43 -0.12 7.28 -1.08 -1.18 -4.96 116.67 113.63 1v76 s ASP 72 Ca 0.06 -0.03 -0.08 0.00 -0.52 0.00 0.00 52.55 51.98 1v76 s ASP 72 Cb 0.12 0.48 0.04 0.00 -1.46 0.00 0.00 42.92 42.10 1v76 s ASP 72 CO 0.66 -0.78 0.29 -0.70 0.52 0.00 0.00 175.17 175.16 1v76 s GLU 73 N -3.39 0.28 0.30 4.34 2.12 -1.26 -1.30 118.70 119.80 1v76 s GLU 73 Ca 0.04 0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.90 1v76 s GLU 73 Cb -0.01 -0.00 -0.00 0.00 0.26 0.00 0.00 34.13 34.38 1v76 s GLU 73 CO -0.10 -0.12 0.01 0.25 -0.54 0.00 0.00 175.26 174.76 1v76 n THR 74 N 3.77 0.00 -0.24 -1.70 -2.24 -0.54 -4.76 114.28 108.57 1v76 n THR 74 Ca -0.21 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.13 1v76 n THR 74 Cb 0.55 0.30 0.12 0.00 -2.10 0.00 0.00 70.33 69.21 1v76 n THR 74 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1v76 h ARG 75 N 0.00 0.61 -0.00 -0.78 2.43 -1.95 -3.28 114.38 111.40 1v76 h ARG 75 Ca -0.25 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1v76 h ARG 75 Cb 0.77 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1v76 h ARG 75 CO 0.42 0.40 -0.07 0.09 -1.51 0.00 0.00 179.97 179.30 1v76 n ASN 76 N -4.84 0.78 -4.43 -3.80 3.02 -1.26 0.22 115.26 104.95 1v76 n ASN 76 Ca 0.10 -0.89 -0.21 0.00 -0.03 0.00 0.00 54.58 53.55 1v76 n ASN 76 Cb 0.24 0.45 -0.10 0.00 -0.61 0.00 0.00 39.78 39.76 1v76 n ASN 76 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1v76 s MET 77 N -0.75 1.54 -0.05 3.52 -1.94 -1.24 -0.24 119.30 120.15 1v76 s MET 77 Ca 0.03 -1.77 0.02 0.00 -1.71 0.00 0.00 55.69 52.26 1v76 s MET 77 Cb 0.03 -1.18 0.01 0.00 2.01 0.00 0.00 34.83 35.70 1v76 s MET 77 CO 0.08 0.06 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.54 1v76 s LEU 78 N -3.44 1.61 -0.26 -0.03 1.43 -0.13 -1.47 118.68 116.39 1v76 s LEU 78 Ca 0.29 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.07 1v76 s LEU 78 Cb 0.03 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 1v76 s LEU 78 CO 0.12 0.02 0.12 -0.69 0.23 0.00 0.00 176.35 176.15 1v76 s VAL 79 N 0.60 4.71 -0.08 -1.59 1.01 -0.42 -1.17 120.40 123.47 1v76 s VAL 79 Ca -0.11 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1v76 s VAL 79 Cb -0.14 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1v76 s VAL 79 CO 0.02 0.31 -0.17 -0.63 0.00 0.00 0.00 175.10 174.64 1v76 s ILE 80 N 1.63 2.80 -0.32 2.22 1.01 0.79 -0.39 121.20 128.94 1v76 s ILE 80 Ca 0.07 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 1v76 s ILE 80 Cb -0.15 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.24 1v76 s ILE 80 CO 0.06 0.56 0.07 0.00 0.00 0.00 0.00 174.94 175.63 1v76 s ALA 81 N -0.16 2.98 0.00 9.38 0.00 0.03 -0.29 121.76 133.70 1v76 s ALA 81 Ca -0.01 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1v76 s ALA 81 Cb -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1v76 s ALA 81 CO 0.03 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 174.97 1v76 n GLY 82 N 4.77 4.49 0.27 0.00 0.00 -1.25 -1.51 105.19 111.96 1v76 n GLY 82 Ca -0.13 -0.61 0.14 0.00 0.00 0.00 0.00 46.02 45.42 1v76 n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1v76 h ASP 83 N 0.00 0.00 -5.06 1.61 3.32 -1.95 -3.43 116.42 110.91 1v76 h ASP 83 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1v76 h ASP 83 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1v76 h ASP 83 CO 0.00 0.10 -0.63 -0.13 -1.72 0.00 0.00 179.24 176.86 1v76 s ARG 84 N -4.18 1.22 -0.25 3.56 1.81 -1.26 -5.13 118.95 114.72 1v76 s ARG 84 Ca -0.03 -1.64 -0.11 0.00 -1.72 0.00 0.00 55.73 52.24 1v76 s ARG 84 Cb 0.13 0.02 -0.05 0.00 -0.45 0.00 0.00 34.95 34.60 1v76 s ARG 84 CO 0.57 -0.31 0.18 0.42 -0.68 0.00 0.00 175.30 175.48 1v76 s ILE 85 N -3.94 5.34 0.04 1.52 -1.09 -1.26 -4.44 121.20 117.36 1v76 s ILE 85 Ca 0.35 0.20 0.09 0.00 -2.23 0.00 0.00 60.65 59.06 1v76 s ILE 85 Cb 0.07 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 1v76 s ILE 85 CO 0.10 0.32 -0.25 0.26 -1.23 0.00 0.00 174.94 174.13 1v76 s TRP 86 N 1.25 2.24 -0.28 3.97 0.52 0.60 -4.98 118.94 122.26 1v76 s TRP 86 Ca 0.08 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 55.81 1v76 s TRP 86 Cb -0.14 -1.35 0.07 0.00 -1.15 0.00 0.00 33.47 30.89 1v76 s TRP 86 CO 0.06 0.10 -0.06 0.21 0.02 0.00 0.00 176.95 177.28 1v76 s LYS 87 N -1.15 2.16 0.09 4.98 2.20 -1.26 -0.15 119.74 126.60 1v76 s LYS 87 Ca 0.11 -1.42 0.09 0.00 -0.36 0.00 0.00 55.97 54.38 1v76 s LYS 87 Cb -0.10 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.18 1v76 s LYS 87 CO 0.02 -0.65 -0.21 0.14 -0.36 0.00 0.00 175.35 174.30 1v76 s VAL 88 N 1.10 2.64 0.01 4.02 -7.23 -0.31 -4.94 120.40 115.68 1v76 s VAL 88 Ca -0.05 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 58.39 1v76 s VAL 88 Cb -0.20 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1v76 s VAL 88 CO -0.05 0.21 0.98 -2.16 -0.31 0.00 0.00 175.10 173.77 1v76 s PRO 89 N -1.80 4.57 0.08 4.82 0.04 -1.26 -0.95 135.00 140.49 1v76 s PRO 89 Ca 0.15 1.43 -0.24 0.00 0.04 0.00 0.00 61.00 62.38 1v76 s PRO 89 Cb -0.10 -3.45 -0.16 0.00 0.04 0.00 0.00 34.50 30.83 1v76 s PRO 89 CO 0.07 -0.04 1.68 0.87 0.04 0.00 0.00 177.00 179.62 1v76 h LYS 90 N 6.72 -0.09 -0.95 4.56 1.57 -0.94 -3.21 116.57 124.23 1v76 h LYS 90 Ca -0.41 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 58.63 1v76 h LYS 90 Cb 1.22 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.49 1v76 h LYS 90 CO 0.75 -0.02 0.66 0.38 -0.57 0.00 0.00 179.45 180.65 1v76 h ASP 91 N -0.13 0.20 -0.39 0.86 2.03 -1.77 -2.02 116.42 115.19 1v76 h ASP 91 Ca -0.01 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1v76 h ASP 91 Cb 0.11 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 1v76 h ASP 91 CO 0.02 0.06 0.00 1.33 -1.03 0.00 0.00 179.24 179.62 1v76 n VAL 92 N -4.39 0.75 -4.11 4.15 0.24 -1.22 -4.22 118.33 109.53 1v76 n VAL 92 Ca 0.21 -0.87 -0.27 0.00 -2.04 0.00 0.00 64.34 61.36 1v76 n VAL 92 Cb 0.90 0.71 -0.06 0.00 -1.47 0.00 0.00 33.84 33.92 1v76 n VAL 92 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1v76 s SER 93 N -1.09 5.32 -0.23 -1.34 0.01 -0.77 -0.55 113.70 115.05 1v76 s SER 93 Ca 0.31 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.39 1v76 s SER 93 Cb 0.17 -1.33 0.04 0.00 0.21 0.00 0.00 66.02 65.10 1v76 s SER 93 CO 0.23 0.09 -0.13 -0.63 0.41 0.00 0.00 173.24 173.21 1v76 s ILE 94 N -1.69 2.32 0.13 1.44 -1.09 0.32 0.57 121.20 123.20 1v76 s ILE 94 Ca 0.30 -1.23 0.03 0.00 -2.23 0.00 0.00 60.65 57.52 1v76 s ILE 94 Cb -0.10 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.56 1v76 s ILE 94 CO 0.22 0.23 0.18 -0.36 -1.23 0.00 0.00 174.94 173.98 1v76 s PHE 95 N 1.23 3.31 -0.29 3.97 0.40 -0.46 -1.58 117.98 124.55 1v76 s PHE 95 Ca -0.02 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 1v76 s PHE 95 Cb -0.17 -1.61 0.09 0.00 0.51 0.00 0.00 43.02 41.84 1v76 s PHE 95 CO -0.08 0.53 0.04 -2.00 0.70 0.00 0.00 175.22 174.41 1v76 s GLU 96 N -2.95 1.14 0.30 0.44 2.12 -0.14 -0.99 118.70 118.62 1v76 s GLU 96 Ca 0.32 -1.23 -0.05 0.00 0.36 0.00 0.00 54.97 54.38 1v76 s GLU 96 Cb -0.11 -2.47 -0.05 0.00 0.26 0.00 0.00 34.13 31.76 1v76 s GLU 96 CO 0.25 -0.86 0.57 -0.06 -0.54 0.00 0.00 175.26 174.63 1v76 s PHE 97 N 1.39 3.48 -0.22 5.30 0.40 0.75 -1.52 117.98 127.55 1v76 s PHE 97 Ca 0.06 0.65 -0.03 0.00 -0.60 0.00 0.00 56.93 57.00 1v76 s PHE 97 Cb -0.18 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.24 1v76 s PHE 97 CO -0.15 0.14 -0.06 -2.00 0.70 0.00 0.00 175.22 173.85 1v76 s GLU 98 N -3.65 3.22 0.79 0.44 2.12 -0.33 -0.21 118.70 121.08 1v76 s GLU 98 Ca 0.44 -0.72 -0.11 0.00 0.36 0.00 0.00 54.97 54.94 1v76 s GLU 98 Cb -0.11 -2.97 0.06 0.00 0.26 0.00 0.00 34.13 31.38 1v76 s GLU 98 CO 0.31 -0.25 1.08 0.00 -0.54 0.00 0.00 175.26 175.87 1v76 s ALA 99 N 1.43 2.22 0.58 6.30 0.00 0.23 -4.23 121.76 128.30 1v76 s ALA 99 Ca 0.05 0.02 0.28 0.00 0.00 0.00 0.00 51.96 52.30 1v76 s ALA 99 Cb -0.15 -3.18 1.72 0.00 0.00 0.00 0.00 23.12 21.51 1v76 s ALA 99 CO -0.04 -1.74 2.19 -0.44 0.00 0.00 0.00 175.76 175.73 1v76 h ASP 100 N -1.10 0.00 0.33 0.00 3.32 -1.91 0.10 116.42 117.16 1v76 h ASP 100 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1v76 h ASP 100 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1v76 h ASP 100 CO 0.56 0.00 -0.12 -0.90 -1.72 0.00 0.00 179.24 177.06 1v76 n ASP 101 N -3.90 0.55 0.00 6.45 5.68 -1.26 -4.91 116.55 119.17 1v76 n ASP 101 Ca -0.01 -0.65 0.00 0.00 -0.50 0.00 0.00 54.79 53.63 1v76 n ASP 101 Cb 0.17 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1v76 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1v76 n GLY 102 N 1.27 1.10 3.72 6.12 0.00 0.35 -5.06 105.19 112.70 1v76 n GLY 102 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1v76 n GLY 102 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1v76 n THR 103 N -1.72 1.61 -3.52 2.61 -1.04 -1.26 -4.63 114.28 106.33 1v76 n THR 103 Ca 0.00 -0.40 -0.39 0.00 -2.04 0.00 0.00 64.05 61.22 1v76 n THR 103 Cb 0.00 -1.75 -0.10 0.00 -1.82 0.00 0.00 70.33 66.66 1v76 n THR 103 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1v76 s LYS 104 N -1.39 3.76 -0.34 -2.82 -0.14 -1.26 -0.60 119.74 116.96 1v76 s LYS 104 Ca 0.59 -0.39 -0.08 0.00 -1.36 0.00 0.00 55.97 54.72 1v76 s LYS 104 Cb -0.54 -3.73 0.02 0.00 -1.68 0.00 0.00 37.83 31.91 1v76 s LYS 104 CO 0.58 -0.32 0.14 0.42 -0.76 0.00 0.00 175.35 175.41 1v76 s ILE 105 N 1.82 4.18 -0.09 2.17 1.01 0.71 -4.94 121.20 126.05 1v76 s ILE 105 Ca 0.08 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 1v76 s ILE 105 Cb -0.16 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1v76 s ILE 105 CO 0.11 -0.13 0.25 -0.54 0.00 0.00 0.00 174.94 174.64 1v76 s LYS 106 N 1.49 3.80 -0.27 2.79 1.02 -1.26 -0.18 119.74 127.14 1v76 s LYS 106 Ca 0.01 0.08 -0.25 0.00 0.02 0.00 0.00 55.97 55.83 1v76 s LYS 106 Cb -0.19 -3.26 0.11 0.00 -0.52 0.00 0.00 37.83 33.97 1v76 s LYS 106 CO 0.04 0.62 0.94 -1.50 -0.92 0.00 0.00 175.35 174.53 1v76 s ILE 107 N -0.67 0.00 0.36 2.17 2.07 -0.16 -5.00 121.20 119.97 1v76 s ILE 107 Ca 0.18 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.14 1v76 s ILE 107 Cb -0.14 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.36 1v76 s ILE 107 CO 0.07 0.00 1.30 -2.84 -1.91 0.00 0.00 174.94 171.56 1v76 s PRO 108 N 0.16 4.20 0.56 3.50 0.02 -1.26 -1.35 135.00 140.83 1v76 s PRO 108 Ca 0.02 2.18 0.29 0.00 0.02 0.00 0.00 61.00 63.51 1v76 s PRO 108 Cb -0.05 -2.94 1.66 0.00 0.02 0.00 0.00 34.50 33.20 1v76 s PRO 108 CO -0.04 -0.31 2.17 0.78 -0.33 0.00 0.00 177.00 179.27 1v76 h GLY 109 N 3.08 0.00 0.69 0.52 0.00 0.07 -2.59 103.07 104.84 1v76 h GLY 109 Ca -0.49 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.00 1v76 h GLY 109 CO 0.64 0.00 0.49 0.83 0.00 0.00 0.00 176.54 178.50 1v76 h GLU 110 N 0.00 0.27 0.00 4.80 5.08 -1.71 0.29 114.58 123.32 1v76 h GLU 110 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1v76 h GLU 110 Cb 0.17 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1v76 h GLU 110 CO 0.01 0.18 0.00 0.54 -1.00 0.00 0.00 179.01 178.74 1v76 n ARG 111 N -4.44 0.15 -0.24 2.33 5.12 -0.98 -2.80 116.66 115.80 1v76 n ARG 111 Ca 0.14 0.33 0.09 0.00 -1.93 0.00 0.00 57.85 56.47 1v76 n ARG 111 Cb 0.59 -1.76 0.22 0.00 -1.16 0.00 0.00 32.46 30.35 1v76 n ARG 111 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1v76 n LEU 112 N -2.05 3.33 -4.76 0.55 4.77 0.10 -4.89 117.00 114.05 1v76 n LEU 112 Ca 0.03 -1.91 -0.41 0.00 -0.03 0.00 0.00 56.01 53.69 1v76 n LEU 112 Cb 0.26 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 1v76 n LEU 112 CO 0.21 0.82 1.12 -0.69 -1.33 0.00 0.00 177.39 177.51 1v76 s VAL 113 N -1.04 2.36 0.00 4.08 1.01 -1.12 -4.85 120.40 120.84 1v76 s VAL 113 Ca 0.34 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1v76 s VAL 113 Cb 0.18 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1v76 s VAL 113 CO 0.24 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1v76 n GLY 114 N 1.38 3.59 3.76 4.51 0.00 0.13 -4.95 105.19 113.62 1v76 n GLY 114 Ca 0.04 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 1v76 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v76 s ARG 115 N -4.22 3.74 0.26 1.61 0.52 -1.26 -4.49 118.95 115.09 1v76 s ARG 115 Ca 0.00 2.12 -0.05 0.00 -0.52 0.00 0.00 55.73 57.28 1v76 s ARG 115 Cb 0.00 -2.58 0.50 0.00 0.52 0.00 0.00 34.95 33.39 1v76 s ARG 115 CO 0.00 -0.67 1.63 -1.35 0.02 0.00 0.00 175.30 174.93 1v76 h PRO 116 N 2.28 0.10 -0.16 3.54 0.11 -1.85 0.58 132.00 136.60 1v76 h PRO 116 Ca -0.50 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1v76 h PRO 116 Cb 1.26 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1v76 h PRO 116 CO 0.61 0.07 -0.17 1.05 -0.21 0.00 0.00 178.00 179.35 1v76 h GLU 117 N 0.11 0.27 0.18 1.05 4.11 -1.95 -2.69 114.58 115.66 1v76 h GLU 117 Ca 0.45 -0.07 -0.30 0.00 0.07 0.00 0.00 59.36 59.50 1v76 h GLU 117 Cb 0.81 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.05 1v76 h GLU 117 CO -0.69 0.44 -1.34 0.52 0.07 0.00 0.00 179.01 178.00 1v76 h MET 118 N 0.25 0.40 0.00 1.06 2.86 -1.42 -3.20 114.93 114.88 1v76 h MET 118 Ca 0.05 -0.67 -0.00 0.00 -2.06 0.00 0.00 59.70 57.01 1v76 h MET 118 Cb 0.45 0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 1v76 h MET 118 CO 0.03 1.32 -0.02 0.00 1.06 0.00 0.00 176.91 179.30 1v76 h ARG 119 N 0.11 0.00 0.00 1.72 3.08 -0.78 0.13 114.38 118.64 1v76 h ARG 119 Ca -0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1v76 h ARG 119 Cb 2.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.10 1v76 h ARG 119 CO 0.24 0.02 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.06 1v76 h LEU 120 N 0.00 0.00 -1.64 3.04 3.38 -1.48 -1.96 115.31 116.65 1v76 h LEU 120 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1v76 h LEU 120 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1v76 h LEU 120 CO 0.00 0.03 0.15 0.11 0.09 0.00 0.00 178.44 178.82 1v76 h LYS 121 N 0.00 0.39 0.00 1.13 1.57 -1.10 -2.00 116.57 116.55 1v76 h LYS 121 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1v76 h LYS 121 Cb 0.08 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1v76 h LYS 121 CO 0.00 0.30 0.00 1.63 -0.57 0.00 0.00 179.45 180.81 1v76 n LYS 122 N -4.45 0.00 0.10 3.15 5.02 -0.74 -0.85 118.16 120.39 1v76 n LYS 122 Ca 0.01 0.38 -0.05 0.00 -2.02 0.00 0.00 58.31 56.64 1v76 n LYS 122 Cb 0.10 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.65 1v76 n LYS 122 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1v76 h ARG 123 N 0.00 0.06 -6.39 1.97 9.65 -1.54 -3.43 114.38 114.71 1v76 h ARG 123 Ca 0.00 -0.06 -0.54 0.00 -1.10 0.00 0.00 59.98 58.27 1v76 h ARG 123 Cb 0.11 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1v76 h ARG 123 CO 0.00 0.82 0.63 -1.58 2.80 0.00 0.00 179.97 182.64 1v76 s TRP 124 N -3.27 3.30 -0.15 2.20 0.52 -0.03 -5.03 118.94 116.49 1v76 s TRP 124 Ca -0.01 1.26 -0.03 0.00 0.02 0.00 0.00 56.10 57.34 1v76 s TRP 124 Cb 0.11 -3.41 -0.02 0.00 -1.15 0.00 0.00 33.47 28.99 1v76 s TRP 124 CO 0.80 -1.27 -0.06 0.15 0.02 0.00 0.00 176.95 176.59 1v76 s LYS 125 N 1.70 3.61 -0.35 4.98 -0.14 -1.26 -5.04 119.74 123.24 1v76 s LYS 125 Ca 0.57 -0.55 -0.07 0.00 -1.36 0.00 0.00 55.97 54.56 1v76 s LYS 125 Cb -0.27 -2.86 0.05 0.00 -1.68 0.00 0.00 37.83 33.07 1v76 s LYS 125 CO 0.25 0.23 0.13 0.21 -0.76 0.00 0.00 175.35 175.41 1v76 s LYS 126 N 0.37 2.60 0.00 1.68 2.20 -1.26 -5.24 119.74 120.08 1v76 s LYS 126 Ca -0.05 -1.23 0.16 0.00 -0.36 0.00 0.00 55.97 54.48 1v76 s LYS 126 Cb -0.15 -3.50 0.12 0.00 -1.51 0.00 0.00 37.83 32.79 1v76 s LYS 126 CO 0.03 -0.71 1.00 0.91 -0.36 0.00 0.00 175.35 176.22