#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1btg s GLU 11 N 0.00 1.52 0.53 1.61 2.02 -1.26 -5.14 118.70 117.99 1btg s GLU 11 Ca 0.00 -0.29 -0.02 0.00 0.02 0.00 0.00 54.97 54.68 1btg s GLU 11 Cb 0.00 -1.65 0.01 0.00 0.10 0.00 0.00 34.13 32.59 1btg s GLU 11 CO 0.00 -0.29 0.79 0.12 0.02 0.00 0.00 175.26 175.90 1btg s PHE 12 N 1.70 3.14 0.09 1.61 2.19 -1.26 -5.09 117.98 120.36 1btg s PHE 12 Ca 0.04 0.33 0.03 0.00 0.33 0.00 0.00 56.93 57.67 1btg s PHE 12 Cb -0.13 -2.59 -0.04 0.00 -1.31 0.00 0.00 43.02 38.95 1btg s PHE 12 CO -0.08 -0.67 0.09 -1.54 1.83 0.00 0.00 175.22 174.84 1btg s SER 13 N -4.30 5.51 0.16 6.13 1.04 -1.26 -5.01 113.70 115.97 1btg s SER 13 Ca 0.53 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.94 1btg s SER 13 Cb -0.10 -1.47 -0.02 0.00 0.10 0.00 0.00 66.02 64.53 1btg s SER 13 CO 0.41 0.16 1.37 0.58 0.98 0.00 0.00 173.24 176.73 1btg h VAL 14 N 2.50 1.48 -3.43 5.02 2.07 -1.98 -3.45 116.25 118.46 1btg h VAL 14 Ca -0.47 -2.58 -0.40 0.00 0.82 0.00 0.00 66.70 64.08 1btg h VAL 14 Cb 1.17 2.45 -0.17 0.00 -1.52 0.00 0.00 31.29 33.22 1btg h VAL 14 CO 0.65 0.75 -0.74 0.00 0.02 0.00 0.00 177.57 178.25 1btg s ASP 16 N -2.74 4.19 0.23 0.00 1.01 -1.26 -5.04 116.67 113.06 1btg s ASP 16 Ca 0.13 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 53.05 1btg s ASP 16 Cb -0.03 -0.80 -0.04 0.00 1.01 0.00 0.00 42.92 43.07 1btg s ASP 16 CO 0.03 0.24 0.15 -0.94 0.21 0.00 0.00 175.17 174.86 1btg s SER 17 N -1.66 0.58 -0.04 0.27 1.04 -1.26 -0.93 113.70 111.71 1btg s SER 17 Ca 0.17 -1.46 0.01 0.00 0.48 0.00 0.00 55.95 55.16 1btg s SER 17 Cb -0.11 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.42 1btg s SER 17 CO 0.08 -0.87 -0.06 0.68 0.98 0.00 0.00 173.24 174.06 1btg s VAL 18 N -3.97 0.58 0.29 5.02 -7.23 0.17 -4.66 120.40 110.60 1btg s VAL 18 Ca 0.39 -0.19 0.06 0.00 -1.81 0.00 0.00 61.98 60.43 1btg s VAL 18 Cb 0.06 -0.58 -0.02 0.00 0.56 0.00 0.00 36.38 36.41 1btg s VAL 18 CO 0.15 0.22 0.41 -0.44 -0.31 0.00 0.00 175.10 175.13 1btg s SER 19 N 0.66 6.13 -0.29 4.85 0.01 -1.26 -1.22 113.70 122.58 1btg s SER 19 Ca -0.09 -0.06 -0.19 0.00 1.31 0.00 0.00 55.95 56.92 1btg s SER 19 Cb -0.12 -1.54 0.14 0.00 0.21 0.00 0.00 66.02 64.71 1btg s SER 19 CO 0.00 -0.25 1.00 0.54 0.41 0.00 0.00 173.24 174.94 1btg s VAL 20 N -2.08 0.00 -0.38 3.43 0.11 0.11 -4.95 120.40 116.64 1btg s VAL 20 Ca 0.40 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.19 1btg s VAL 20 Cb -0.09 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1btg s VAL 20 CO 0.30 0.00 0.92 0.26 -3.33 0.00 0.00 175.10 173.25 1btg s TRP 21 N 1.00 3.06 -0.29 1.54 0.52 -1.26 -0.37 118.94 123.13 1btg s TRP 21 Ca -0.05 0.71 -0.10 0.00 0.02 0.00 0.00 56.10 56.68 1btg s TRP 21 Cb -0.04 -3.68 -0.02 0.00 -1.15 0.00 0.00 33.47 28.57 1btg s TRP 21 CO -0.13 -0.86 0.15 0.08 0.02 0.00 0.00 176.95 176.21 1btg s VAL 22 N 3.50 4.75 -0.26 4.03 1.01 0.15 -4.89 120.40 128.69 1btg s VAL 22 Ca 0.38 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1btg s VAL 22 Cb -0.12 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1btg s VAL 22 CO 0.20 0.17 0.74 0.61 0.00 0.00 0.00 175.10 176.82 1btg n GLY 23 N 5.00 0.20 1.85 4.51 0.00 -1.26 -1.02 105.19 114.46 1btg n GLY 23 Ca -0.14 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1btg n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1btg n ASP 24 N -0.01 3.19 -4.81 1.61 5.75 -1.26 -4.86 116.55 116.15 1btg n ASP 24 Ca 0.02 -3.26 -0.36 0.00 -0.01 0.00 0.00 54.79 51.17 1btg n ASP 24 Cb 0.14 -0.41 -0.06 0.00 -1.03 0.00 0.00 41.12 39.76 1btg n ASP 24 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1btg s LYS 25 N -3.24 4.30 0.00 0.11 2.20 -1.26 -4.97 119.74 116.87 1btg s LYS 25 Ca 0.42 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.96 1btg s LYS 25 Cb 0.38 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1btg s LYS 25 CO -0.02 0.39 0.00 0.25 -0.36 0.00 0.00 175.35 175.61 1btg n THR 26 N 0.73 0.00 -4.15 3.43 -2.24 -1.26 -4.63 114.28 106.15 1btg n THR 26 Ca -0.02 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 1btg n THR 26 Cb 0.51 -0.04 -0.12 0.00 -2.10 0.00 0.00 70.33 68.58 1btg n THR 26 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1btg s THR 27 N -1.34 1.02 0.26 4.28 2.01 -1.26 -0.18 115.64 120.43 1btg s THR 27 Ca 0.00 -1.29 -0.12 0.00 0.31 0.00 0.00 61.69 60.59 1btg s THR 27 Cb 0.00 -1.01 -0.00 0.00 0.01 0.00 0.00 72.50 71.49 1btg s THR 27 CO 0.00 -0.27 0.49 0.00 -0.69 0.00 0.00 174.62 174.15 1btg s ALA 28 N -1.35 -0.13 -0.18 7.40 0.00 0.22 -4.79 121.76 122.93 1btg s ALA 28 Ca -0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 1btg s ALA 28 Cb -0.10 1.07 -0.00 0.00 0.00 0.00 0.00 23.12 24.09 1btg s ALA 28 CO 0.02 -0.85 -0.12 0.99 0.00 0.00 0.00 175.76 175.79 1btg s THR 29 N -3.83 2.83 0.16 0.00 2.01 -1.26 -0.43 115.64 115.12 1btg s THR 29 Ca 0.23 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 1btg s THR 29 Cb -0.01 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.31 1btg s THR 29 CO 0.10 0.49 0.20 -0.90 -0.69 0.00 0.00 174.62 173.82 1btg n ASP 30 N 4.34 -0.21 0.20 3.53 5.68 0.35 -1.69 116.55 128.75 1btg n ASP 30 Ca -0.19 -0.98 0.05 0.00 -0.50 0.00 0.00 54.79 53.17 1btg n ASP 30 Cb 0.51 -0.16 0.40 0.00 -1.14 0.00 0.00 41.12 40.74 1btg n ASP 30 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1btg h ILE 31 N -1.23 0.98 0.00 2.12 2.10 -1.69 -2.35 117.51 117.44 1btg h ILE 31 Ca -0.07 -1.32 -0.04 0.00 1.08 0.00 0.00 64.86 64.52 1btg h ILE 31 Cb 0.18 1.77 -0.01 0.00 -1.09 0.00 0.00 36.82 37.68 1btg h ILE 31 CO 0.05 0.34 -0.18 0.11 -1.08 0.00 0.00 178.15 177.39 1btg h LYS 32 N 0.00 0.00 0.00 2.19 1.57 -1.93 -3.47 116.57 114.93 1btg h LYS 32 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1btg h LYS 32 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1btg h LYS 32 CO 0.05 0.18 0.00 0.41 -0.57 0.00 0.00 179.45 179.51 1btg n GLY 33 N 0.96 1.25 3.85 3.86 0.00 -0.89 -5.11 105.19 109.11 1btg n GLY 33 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1btg n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1btg s LYS 34 N -0.50 3.91 0.12 1.61 -2.85 -1.26 -4.78 119.74 115.99 1btg s LYS 34 Ca 0.00 0.40 -0.30 0.00 -1.00 0.00 0.00 55.97 55.07 1btg s LYS 34 Cb 0.00 -2.84 -0.06 0.00 -2.06 0.00 0.00 37.83 32.86 1btg s LYS 34 CO 0.00 0.43 1.11 -1.21 0.10 0.00 0.00 175.35 175.78 1btg s GLU 35 N -2.23 4.54 0.05 1.78 2.02 -1.26 -0.49 118.70 123.12 1btg s GLU 35 Ca 0.40 1.68 -0.07 0.00 0.02 0.00 0.00 54.97 57.01 1btg s GLU 35 Cb -0.14 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.76 1btg s GLU 35 CO 0.20 -0.04 0.14 0.08 0.02 0.00 0.00 175.26 175.66 1btg s VAL 36 N 0.33 0.14 -0.12 2.63 1.01 0.43 -4.93 120.40 119.89 1btg s VAL 36 Ca 0.52 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1btg s VAL 36 Cb -0.28 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1btg s VAL 36 CO 0.32 -0.61 -0.03 0.42 0.00 0.00 0.00 175.10 175.20 1btg s THR 37 N -3.00 4.00 -0.18 3.92 -4.23 -1.11 0.71 115.64 115.74 1btg s THR 37 Ca -0.02 -0.34 -0.24 0.00 -1.18 0.00 0.00 61.69 59.91 1btg s THR 37 Cb 0.01 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 1btg s THR 37 CO -0.06 0.54 0.78 -0.69 -0.54 0.00 0.00 174.62 174.65 1btg s VAL 38 N -0.21 4.91 0.55 2.29 1.01 0.74 -2.20 120.40 127.50 1btg s VAL 38 Ca 0.04 1.51 -0.18 0.00 0.00 0.00 0.00 61.98 63.35 1btg s VAL 38 Cb -0.13 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 1btg s VAL 38 CO 0.02 0.04 1.07 -0.76 0.00 0.00 0.00 175.10 175.47 1btg s LEU 39 N 2.17 3.68 -0.04 3.92 1.43 -1.14 -4.52 118.68 124.18 1btg s LEU 39 Ca 0.35 1.96 -0.12 0.00 -1.03 0.00 0.00 54.13 55.29 1btg s LEU 39 Cb -0.16 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.43 1btg s LEU 39 CO 0.11 -1.08 0.55 0.00 0.23 0.00 0.00 176.35 176.17 1btg h ALA 40 N 1.01 -0.49 -2.92 4.21 0.00 -1.91 -3.43 119.26 115.73 1btg h ALA 40 Ca -0.49 -0.10 -0.60 0.00 0.00 0.00 0.00 54.91 53.72 1btg h ALA 40 Cb 1.23 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 1btg h ALA 40 CO 0.58 -0.46 -0.59 -1.21 0.00 0.00 0.00 179.25 177.57 1btg s GLU 41 N -3.02 2.83 -0.27 0.00 2.02 -1.26 -1.70 118.70 117.29 1btg s GLU 41 Ca -0.07 -0.83 -0.06 0.00 0.02 0.00 0.00 54.97 54.04 1btg s GLU 41 Cb 0.01 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1btg s GLU 41 CO 0.20 0.51 0.06 0.54 0.02 0.00 0.00 175.26 176.59 1btg s VAL 42 N -1.60 3.90 -0.12 2.63 0.11 1.41 -4.85 120.40 121.89 1btg s VAL 42 Ca 0.30 -0.59 -0.06 0.00 -2.93 0.00 0.00 61.98 58.70 1btg s VAL 42 Cb -0.11 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.75 1btg s VAL 42 CO 0.22 0.18 0.10 0.20 -3.33 0.00 0.00 175.10 172.47 1btg s ASN 43 N 1.51 6.05 0.00 3.54 -0.87 -1.25 0.30 114.94 124.22 1btg s ASN 43 Ca 0.04 0.34 0.00 0.00 -1.57 0.00 0.00 52.86 51.67 1btg s ASN 43 Cb -0.16 -1.93 0.00 0.00 -0.02 0.00 0.00 41.25 39.14 1btg s ASN 43 CO 0.02 0.36 0.00 2.30 -2.57 0.00 0.00 177.10 177.21 1btg n ILE 44 N 2.28 0.00 -3.28 0.60 -5.35 -1.00 -4.97 119.36 107.64 1btg n ILE 44 Ca -0.19 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.12 1btg n ILE 44 Cb 0.54 0.00 0.06 0.00 -1.74 0.00 0.00 39.64 38.51 1btg n ILE 44 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1btg n ASN 45 N 0.00 -4.48 -3.91 7.28 5.15 -1.26 -3.28 115.26 114.76 1btg n ASN 45 Ca 0.00 -0.43 -0.30 0.00 -0.60 0.00 0.00 54.58 53.25 1btg n ASN 45 Cb 0.00 -4.01 -0.00 0.00 -0.53 0.00 0.00 39.78 35.23 1btg n ASN 45 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1btg n ASN 46 N -2.16 -2.11 -3.53 1.20 6.94 -1.26 -4.99 115.26 109.35 1btg n ASN 46 Ca -0.06 -1.06 -0.15 0.00 -0.02 0.00 0.00 54.58 53.29 1btg n ASN 46 Cb 0.57 -2.88 -0.05 0.00 -2.36 0.00 0.00 39.78 35.06 1btg n ASN 46 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1btg s SER 47 N -4.01 -0.54 -0.19 0.53 1.04 -1.21 -5.15 113.70 104.16 1btg s SER 47 Ca 0.20 0.36 0.01 0.00 0.48 0.00 0.00 55.95 57.00 1btg s SER 47 Cb -0.08 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1btg s SER 47 CO 0.90 -0.71 -0.16 -0.69 0.98 0.00 0.00 173.24 173.56 1btg s VAL 48 N -2.13 1.95 0.53 5.02 1.01 -1.26 -2.38 120.40 123.15 1btg s VAL 48 Ca -0.07 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 60.92 1btg s VAL 48 Cb -0.01 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1btg s VAL 48 CO 0.01 0.37 0.26 -0.36 0.00 0.00 0.00 175.10 175.38 1btg s PHE 49 N 1.30 1.74 -0.09 5.22 0.08 0.87 -4.85 117.98 122.25 1btg s PHE 49 Ca 0.02 -0.87 0.04 0.00 0.12 0.00 0.00 56.93 56.23 1btg s PHE 49 Cb -0.15 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.49 1btg s PHE 49 CO -0.11 -0.22 -0.23 0.50 -0.10 0.00 0.00 175.22 175.07 1btg s ARG 50 N -4.13 2.86 -0.02 0.44 3.52 -1.26 0.42 118.95 120.77 1btg s ARG 50 Ca 0.24 -0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 1btg s ARG 50 Cb -0.01 -2.18 -0.06 0.00 -1.56 0.00 0.00 34.95 31.14 1btg s ARG 50 CO 0.15 0.17 1.56 -0.65 -0.81 0.00 0.00 175.30 175.72 1btg s GLN 51 N 0.36 4.21 -0.00 5.12 -0.21 -0.69 -4.82 119.66 123.62 1btg s GLN 51 Ca -0.18 2.12 0.08 0.00 0.02 0.00 0.00 55.36 57.41 1btg s GLN 51 Cb -0.18 -3.79 -0.02 0.00 1.00 0.00 0.00 33.01 30.02 1btg s GLN 51 CO 0.08 -0.75 -0.25 0.71 -2.12 0.00 0.00 175.29 172.96 1btg s TYR 52 N 3.32 2.36 -0.04 0.91 2.02 -1.26 -4.40 117.35 120.26 1btg s TYR 52 Ca 0.70 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 57.02 1btg s TYR 52 Cb -0.33 -1.48 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 1btg s TYR 52 CO 0.28 0.03 -0.11 -0.06 -1.57 0.00 0.00 175.55 174.12 1btg s PHE 53 N -0.68 1.20 -0.20 2.71 0.08 -0.19 -4.94 117.98 115.96 1btg s PHE 53 Ca 0.11 -0.36 -0.23 0.00 0.12 0.00 0.00 56.93 56.57 1btg s PHE 53 Cb -0.10 -0.87 -0.02 0.00 -0.57 0.00 0.00 43.02 41.46 1btg s PHE 53 CO 0.00 -0.17 0.72 0.12 -0.10 0.00 0.00 175.22 175.79 1btg s PHE 54 N 0.38 3.37 0.10 0.36 5.36 -1.26 0.30 117.98 126.57 1btg s PHE 54 Ca -0.07 1.04 0.07 0.00 -0.96 0.00 0.00 56.93 57.00 1btg s PHE 54 Cb -0.12 -2.90 -0.03 0.00 -0.34 0.00 0.00 43.02 39.63 1btg s PHE 54 CO 0.02 -0.25 -0.18 -1.21 -1.46 0.00 0.00 175.22 172.14 1btg s GLU 55 N 2.20 1.01 -0.01 10.12 2.02 0.50 -4.95 118.70 129.59 1btg s GLU 55 Ca 0.32 -1.11 0.02 0.00 0.02 0.00 0.00 54.97 54.21 1btg s GLU 55 Cb -0.16 -1.13 -0.00 0.00 0.10 0.00 0.00 34.13 32.94 1btg s GLU 55 CO 0.10 0.25 -0.05 0.99 0.02 0.00 0.00 175.26 176.57 1btg s THR 56 N -1.36 0.41 0.28 3.63 2.01 -0.89 0.07 115.64 119.80 1btg s THR 56 Ca 0.04 -0.21 -0.15 0.00 0.31 0.00 0.00 61.69 61.68 1btg s THR 56 Cb -0.09 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 72.07 1btg s THR 56 CO 0.04 0.13 0.61 -1.59 -0.69 0.00 0.00 174.62 173.11 1btg s LYS 57 N -0.01 1.75 0.16 4.92 -2.85 -0.36 -2.48 119.74 120.87 1btg s LYS 57 Ca 0.01 -1.22 -0.30 0.00 -1.00 0.00 0.00 55.97 53.45 1btg s LYS 57 Cb -0.03 0.54 -0.08 0.00 -2.06 0.00 0.00 37.83 36.20 1btg s LYS 57 CO -0.00 -0.77 1.29 0.00 0.10 0.00 0.00 175.35 175.96 1btg h ARG 59 N 5.88 0.63 -3.77 0.00 3.08 -1.30 -3.45 114.38 115.46 1btg h ARG 59 Ca -0.44 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 59.26 1btg h ARG 59 Cb 1.21 -0.02 -0.13 0.00 0.08 0.00 0.00 29.97 31.11 1btg h ARG 59 CO 0.79 0.85 -0.31 0.00 -1.07 0.00 0.00 179.97 180.23 1btg s ALA 60 N -4.64 -0.26 -0.27 0.04 0.00 -1.26 -5.05 121.76 110.32 1btg s ALA 60 Ca -0.13 -0.62 0.19 0.00 0.00 0.00 0.00 51.96 51.40 1btg s ALA 60 Cb 0.09 0.62 0.13 0.00 0.00 0.00 0.00 23.12 23.96 1btg s ALA 60 CO 0.80 -0.57 1.38 0.66 0.00 0.00 0.00 175.76 178.03 1btg h SER 61 N 2.64 0.00 -2.31 0.00 4.64 -1.89 -3.41 113.55 113.22 1btg h SER 61 Ca -0.33 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.40 1btg h SER 61 Cb 1.21 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.91 1btg h SER 61 CO 0.53 0.26 -0.95 0.59 -0.87 0.00 0.00 176.83 176.39 1btg n ASN 62 N -3.07 0.48 -0.39 4.97 3.02 -1.26 -1.56 115.26 117.45 1btg n ASN 62 Ca 0.01 -2.66 0.31 0.00 -0.03 0.00 0.00 54.58 52.21 1btg n ASN 62 Cb 0.65 -0.61 0.60 0.00 -0.61 0.00 0.00 39.78 39.80 1btg n ASN 62 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1btg h PRO 63 N 4.93 0.20 -5.11 3.52 0.13 -1.78 -3.40 132.00 130.50 1btg h PRO 63 Ca 0.18 -0.01 -0.49 0.00 -0.87 0.00 0.00 66.00 64.81 1btg h PRO 63 Cb 0.86 -0.04 -0.14 0.00 0.13 0.00 0.00 31.00 31.81 1btg h PRO 63 CO 0.48 0.13 -0.57 0.14 -0.23 0.00 0.00 178.00 177.95 1btg s VAL 64 N -5.35 0.87 0.25 1.56 -7.23 -0.63 -5.02 120.40 104.84 1btg s VAL 64 Ca -0.08 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.04 1btg s VAL 64 Cb 0.28 -2.59 0.24 0.00 0.56 0.00 0.00 36.38 34.87 1btg s VAL 64 CO 0.81 0.00 1.88 -0.33 -0.31 0.00 0.00 175.10 177.16 1btg h GLU 65 N 2.01 1.11 0.00 4.82 5.08 -1.95 -2.28 114.58 123.37 1btg h GLU 65 Ca -0.38 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1btg h GLU 65 Cb 1.26 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1btg h GLU 65 CO 0.63 0.74 -0.12 -1.13 -1.00 0.00 0.00 179.01 178.13 1btg n SER 66 N -4.51 0.19 0.00 1.42 3.41 -1.26 -5.02 113.62 107.84 1btg n SER 66 Ca 0.13 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1btg n SER 66 Cb 0.12 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1btg n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1btg n GLY 67 N 1.48 0.33 3.80 5.00 0.00 -0.86 -4.14 105.19 110.80 1btg n GLY 67 Ca 0.06 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 1btg n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1btg s ARG 69 N -4.94 4.32 0.00 0.00 0.52 -0.73 -3.71 118.95 114.42 1btg s ARG 69 Ca 0.59 1.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.18 1btg s ARG 69 Cb -0.15 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1btg s ARG 69 CO 0.54 0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.30 1btg n GLY 70 N 0.24 2.96 3.76 -3.53 0.00 -1.26 -4.75 105.19 102.61 1btg n GLY 70 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1btg n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1btg n ILE 71 N -2.00 1.93 -2.26 -0.61 -0.00 -1.24 -4.88 119.36 110.30 1btg n ILE 71 Ca 0.00 -0.48 -0.41 0.00 -0.00 0.00 0.00 62.75 61.85 1btg n ILE 71 Cb 0.00 -1.93 -0.03 0.00 -0.00 0.00 0.00 39.64 37.68 1btg n ILE 71 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1btg s ASP 72 N -0.11 5.95 0.25 4.38 -1.08 -1.26 -4.82 116.67 119.99 1btg s ASP 72 Ca 0.54 0.51 0.26 0.00 -0.52 0.00 0.00 52.55 53.33 1btg s ASP 72 Cb -0.49 -2.54 0.81 0.00 -1.46 0.00 0.00 42.92 39.24 1btg s ASP 72 CO 0.63 -1.81 1.76 -1.28 0.52 0.00 0.00 175.17 174.99 1btg h SER 73 N 12.03 0.00 0.23 -0.34 0.87 -1.90 0.23 113.55 124.67 1btg h SER 73 Ca -0.28 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 1btg h SER 73 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1btg h SER 73 CO 1.15 0.00 -0.11 0.11 -0.53 0.00 0.00 176.83 177.45 1btg h LYS 74 N 0.00 -0.30 0.01 2.24 6.56 -2.03 -3.28 116.57 119.78 1btg h LYS 74 Ca 0.00 0.02 -0.23 0.00 -1.06 0.00 0.00 60.65 59.38 1btg h LYS 74 Cb 0.69 0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.39 1btg h LYS 74 CO 0.00 0.01 -1.17 0.45 -2.06 0.00 0.00 179.45 176.68 1btg h HIS 75 N -0.61 0.04 -2.52 -1.35 3.86 -1.94 -3.45 115.15 109.20 1btg h HIS 75 Ca -0.03 -0.03 -0.62 0.00 -1.16 0.00 0.00 60.37 58.53 1btg h HIS 75 Cb 0.44 -0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.76 1btg h HIS 75 CO 0.02 1.03 -0.76 -1.58 0.86 0.00 0.00 177.93 177.50 1btg s TRP 76 N -2.68 2.36 -0.06 2.45 0.52 0.81 -1.02 118.94 121.33 1btg s TRP 76 Ca -0.01 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 55.83 1btg s TRP 76 Cb 0.09 -1.07 -0.02 0.00 -1.15 0.00 0.00 33.47 31.32 1btg s TRP 76 CO 0.83 0.64 -0.15 -0.80 0.02 0.00 0.00 176.95 177.49 1btg s ASN 77 N -3.27 3.98 0.17 2.95 0.02 0.21 -4.38 114.94 114.63 1btg s ASN 77 Ca 0.27 -0.22 -0.14 0.00 -1.02 0.00 0.00 52.86 51.76 1btg s ASN 77 Cb -0.06 -0.90 0.01 0.00 0.02 0.00 0.00 41.25 40.33 1btg s ASN 77 CO 0.14 0.33 0.41 -0.94 0.02 0.00 0.00 177.10 177.06 1btg s SER 78 N -0.63 -0.13 0.05 -1.22 1.04 -1.26 0.90 113.70 112.46 1btg s SER 78 Ca 0.09 -0.62 -0.27 0.00 0.48 0.00 0.00 55.95 55.63 1btg s SER 78 Cb -0.11 0.51 0.09 0.00 0.10 0.00 0.00 66.02 66.61 1btg s SER 78 CO 0.01 -0.96 0.81 -0.72 0.98 0.00 0.00 173.24 173.35 1btg s TYR 79 N -3.90 -0.40 0.15 5.02 -0.85 -1.16 -4.14 117.35 112.07 1btg s TYR 79 Ca 0.11 0.23 -0.16 0.00 -0.52 0.00 0.00 57.07 56.74 1btg s TYR 79 Cb 0.01 0.55 -0.07 0.00 0.38 0.00 0.00 41.96 42.83 1btg s TYR 79 CO -0.03 -0.64 0.58 0.00 -1.52 0.00 0.00 175.55 173.94 1btg s THR 81 N -1.41 0.09 0.12 0.00 -1.32 0.84 -4.58 115.64 109.38 1btg s THR 81 Ca 0.37 -0.77 -0.21 0.00 -1.21 0.00 0.00 61.69 59.87 1btg s THR 81 Cb -0.16 -0.70 -0.07 0.00 -1.51 0.00 0.00 72.50 70.06 1btg s THR 81 CO 0.19 -0.42 0.65 -0.89 -2.21 0.00 0.00 174.62 171.94 1btg s THR 82 N -1.97 4.61 0.09 5.08 2.01 -1.26 0.89 115.64 125.10 1btg s THR 82 Ca -0.10 1.35 0.07 0.00 0.31 0.00 0.00 61.69 63.33 1btg s THR 82 Cb -0.04 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1btg s THR 82 CO -0.01 0.49 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.39 1btg s THR 83 N -1.19 3.16 0.22 -0.82 2.01 0.96 -4.93 115.64 115.06 1btg s THR 83 Ca 0.33 -1.29 0.07 0.00 0.31 0.00 0.00 61.69 61.11 1btg s THR 83 Cb -0.20 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1btg s THR 83 CO 0.21 0.16 0.10 -1.00 -0.69 0.00 0.00 174.62 173.41 1btg s HIS 84 N -1.14 2.98 0.24 4.92 3.76 -1.26 0.96 115.29 125.74 1btg s HIS 84 Ca 0.19 -0.12 0.02 0.00 -0.15 0.00 0.00 55.06 55.00 1btg s HIS 84 Cb -0.11 -1.38 -0.05 0.00 1.11 0.00 0.00 32.58 32.16 1btg s HIS 84 CO 0.11 0.54 0.06 -0.08 -0.85 0.00 0.00 174.74 174.53 1btg s THR 85 N -2.02 0.65 -0.03 1.30 -1.32 -0.82 -4.81 115.64 108.58 1btg s THR 85 Ca 0.31 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.85 1btg s THR 85 Cb -0.08 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.39 1btg s THR 85 CO 0.22 -0.14 -0.19 -0.36 -2.21 0.00 0.00 174.62 171.94 1btg s PHE 86 N -3.69 2.55 0.02 9.09 0.08 -1.26 -2.04 117.98 122.72 1btg s PHE 86 Ca 0.34 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.12 1btg s PHE 86 Cb 0.07 -1.57 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 1btg s PHE 86 CO 0.11 0.10 -0.03 0.08 -0.10 0.00 0.00 175.22 175.38 1btg s VAL 87 N -0.69 0.15 0.26 -0.44 1.01 0.61 -4.89 120.40 116.41 1btg s VAL 87 Ca 0.11 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 1btg s VAL 87 Cb -0.10 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.93 1btg s VAL 87 CO 0.00 -0.37 0.86 -0.75 0.00 0.00 0.00 175.10 174.84 1btg s LYS 88 N -1.15 4.54 -0.15 2.72 2.47 -1.26 0.95 119.74 127.86 1btg s LYS 88 Ca -0.12 1.21 -0.25 0.00 -1.56 0.00 0.00 55.97 55.25 1btg s LYS 88 Cb -0.08 -2.97 0.06 0.00 -1.46 0.00 0.00 37.83 33.39 1btg s LYS 88 CO -0.01 0.39 0.64 0.00 0.16 0.00 0.00 175.35 176.53 1btg s ALA 89 N -1.45 -1.61 -0.16 3.13 0.00 0.25 -4.87 121.76 117.05 1btg s ALA 89 Ca 0.45 1.52 -0.29 0.00 0.00 0.00 0.00 51.96 53.64 1btg s ALA 89 Cb -0.20 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 1btg s ALA 89 CO 0.25 -0.33 1.37 -1.17 0.00 0.00 0.00 175.76 175.88 1btg s LEU 90 N -0.37 4.15 0.23 0.00 2.96 -1.26 -1.71 118.68 122.67 1btg s LEU 90 Ca -0.05 1.73 -0.02 0.00 -0.22 0.00 0.00 54.13 55.57 1btg s LEU 90 Cb -0.03 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1btg s LEU 90 CO 0.05 -0.87 0.21 0.42 -1.32 0.00 0.00 176.35 174.83 1btg s THR 91 N 3.85 0.00 -0.06 3.68 -4.23 -0.32 -2.90 115.64 115.66 1btg s THR 91 Ca 0.60 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 59.18 1btg s THR 91 Cb -0.24 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.18 1btg s THR 91 CO 0.20 0.00 0.12 0.42 -0.54 0.00 0.00 174.62 174.82 1btg s THR 92 N -4.02 -0.06 0.43 3.99 -4.23 -0.93 0.13 115.64 110.94 1btg s THR 92 Ca 0.37 0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 61.06 1btg s THR 92 Cb 0.05 -0.21 -0.02 0.00 1.34 0.00 0.00 72.50 73.65 1btg s THR 92 CO 0.14 0.08 0.67 1.51 -0.54 0.00 0.00 174.62 176.48 1btg s ASP 93 N 1.22 6.13 0.43 3.99 -4.77 -1.18 -2.75 116.67 119.74 1btg s ASP 93 Ca -0.08 0.57 0.34 0.00 -3.30 0.00 0.00 52.55 50.08 1btg s ASP 93 Cb -0.12 -1.95 1.42 0.00 -1.09 0.00 0.00 42.92 41.18 1btg s ASP 93 CO -0.05 -0.53 1.42 -1.84 0.70 0.00 0.00 175.17 174.87 1btg n GLU 94 N -2.05 -0.02 0.00 2.11 -0.00 -1.26 -2.49 120.64 116.93 1btg n GLU 94 Ca -0.01 1.09 0.00 0.00 -0.00 0.00 0.00 57.16 58.24 1btg n GLU 94 Cb 0.56 -2.25 0.00 0.00 -0.00 0.00 0.00 31.44 29.75 1btg n GLU 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1btg n LYS 95 N -4.28 0.00 -4.10 3.44 5.02 -1.26 -4.96 118.16 112.02 1btg n LYS 95 Ca 0.38 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.54 1btg n LYS 95 Cb 1.55 -0.73 -0.11 0.00 -0.02 0.00 0.00 35.03 35.71 1btg n LYS 95 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1btg s GLN 96 N -0.47 0.63 0.75 1.97 -2.07 -1.04 -5.14 119.66 114.29 1btg s GLN 96 Ca 0.00 -0.90 -0.14 0.00 -1.82 0.00 0.00 55.36 52.50 1btg s GLN 96 Cb 0.00 -0.35 0.05 0.00 -1.09 0.00 0.00 33.01 31.62 1btg s GLN 96 CO 0.00 0.06 1.16 0.00 -1.32 0.00 0.00 175.29 175.19 1btg s ALA 97 N -1.81 2.10 0.00 2.60 0.00 -1.26 -3.11 121.76 120.29 1btg s ALA 97 Ca -0.05 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1btg s ALA 97 Cb -0.07 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1btg s ALA 97 CO -0.00 -1.89 0.00 0.00 0.00 0.00 0.00 175.76 173.87 1btg n ALA 98 N -3.00 0.00 -1.77 0.00 0.00 0.34 -4.91 120.51 111.18 1btg n ALA 98 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.17 1btg n ALA 98 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 1btg n ALA 98 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1btg s TRP 99 N -1.01 3.61 0.09 0.00 0.52 -1.26 -1.18 118.94 119.70 1btg s TRP 99 Ca 0.00 1.75 -0.10 0.00 0.02 0.00 0.00 56.10 57.77 1btg s TRP 99 Cb 0.00 -3.12 0.00 0.00 -1.15 0.00 0.00 33.47 29.21 1btg s TRP 99 CO 0.00 -0.23 0.22 1.03 0.02 0.00 0.00 176.95 178.00 1btg s ARG 100 N -1.76 0.86 -0.03 4.98 0.52 -0.69 -4.93 118.95 117.90 1btg s ARG 100 Ca 0.48 -0.88 -0.18 0.00 -0.52 0.00 0.00 55.73 54.63 1btg s ARG 100 Cb -0.26 0.36 -0.05 0.00 0.52 0.00 0.00 34.95 35.52 1btg s ARG 100 CO 0.33 -0.28 0.49 -0.06 0.02 0.00 0.00 175.30 175.80 1btg s PHE 101 N -3.72 3.66 0.28 -0.53 0.08 -1.26 -0.58 117.98 115.92 1btg s PHE 101 Ca 0.04 1.04 0.10 0.00 0.12 0.00 0.00 56.93 58.23 1btg s PHE 101 Cb 0.04 -2.47 -0.05 0.00 -0.57 0.00 0.00 43.02 39.96 1btg s PHE 101 CO -0.10 0.42 -0.15 0.96 -0.10 0.00 0.00 175.22 176.24 1btg s ILE 102 N -0.34 2.20 -0.15 0.64 -4.36 0.27 -1.81 121.20 117.66 1btg s ILE 102 Ca 0.27 -2.29 -0.16 0.00 -0.26 0.00 0.00 60.65 58.20 1btg s ILE 102 Cb -0.17 -2.36 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 1btg s ILE 102 CO 0.14 -0.37 0.40 -0.60 0.24 0.00 0.00 174.94 174.75 1btg s ARG 103 N -3.58 4.28 0.05 0.37 3.52 -0.68 -0.28 118.95 122.63 1btg s ARG 103 Ca 0.29 0.29 0.02 0.00 -0.13 0.00 0.00 55.73 56.20 1btg s ARG 103 Cb -0.01 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 1btg s ARG 103 CO 0.14 0.15 -0.08 0.96 -0.81 0.00 0.00 175.30 175.65 1btg s ILE 104 N 0.70 0.60 0.11 4.11 -4.36 -0.87 -4.60 121.20 116.89 1btg s ILE 104 Ca 0.22 -1.19 -0.31 0.00 -0.26 0.00 0.00 60.65 59.10 1btg s ILE 104 Cb -0.14 -0.76 -0.10 0.00 1.25 0.00 0.00 42.46 42.71 1btg s ILE 104 CO 0.08 -0.43 1.73 -1.81 0.24 0.00 0.00 174.94 174.75 1btg s ASP 105 N -1.76 6.51 0.00 4.36 1.11 -1.26 -1.95 116.67 123.68 1btg s ASP 105 Ca -0.07 2.65 0.00 0.00 0.18 0.00 0.00 52.55 55.31 1btg s ASP 105 Cb -0.08 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.34 1btg s ASP 105 CO -0.00 -0.94 0.00 1.07 1.18 0.00 0.00 175.17 176.48 1btg n THR 106 N 4.62 0.00 -3.73 -1.27 5.66 0.27 -2.09 114.28 117.74 1btg n THR 106 Ca 0.17 -0.03 -0.01 0.00 -3.05 0.00 0.00 64.05 61.13 1btg n THR 106 Cb 0.39 0.47 -0.00 0.00 -1.55 0.00 0.00 70.33 69.64 1btg n THR 106 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1btg s ALA 107 N -1.67 -1.95 -0.14 1.79 0.00 -1.05 -4.45 121.76 114.29 1btg s ALA 107 Ca 0.00 0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 1btg s ALA 107 Cb 0.00 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.71 1btg s ALA 107 CO 0.00 -1.06 -0.07 0.00 0.00 0.00 0.00 175.76 174.63 1btg s VAL 109 N 1.65 1.27 0.08 0.00 -7.23 0.26 -4.82 120.40 111.61 1btg s VAL 109 Ca 0.03 -2.09 -0.25 0.00 -1.81 0.00 0.00 61.98 57.87 1btg s VAL 109 Cb -0.14 -2.03 -0.06 0.00 0.56 0.00 0.00 36.38 34.71 1btg s VAL 109 CO -0.08 -0.60 0.76 0.00 -0.31 0.00 0.00 175.10 174.88 1btg s VAL 111 N -0.41 0.75 0.61 0.00 1.01 -0.56 -4.98 120.40 116.82 1btg s VAL 111 Ca 0.37 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1btg s VAL 111 Cb -0.21 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1btg s VAL 111 CO 0.24 0.14 1.02 -0.76 0.00 0.00 0.00 175.10 175.74 1btg s LEU 112 N 1.79 3.29 -0.13 3.92 1.02 -1.26 -2.96 118.68 124.36 1btg s LEU 112 Ca 0.02 1.46 -0.05 0.00 0.02 0.00 0.00 54.13 55.59 1btg s LEU 112 Cb -0.14 -4.48 0.06 0.00 0.02 0.00 0.00 46.19 41.65 1btg s LEU 112 CO -0.07 -0.87 0.27 -0.55 0.02 0.00 0.00 176.35 175.16 1btg s SER 113 N -3.95 0.05 0.09 2.29 0.15 0.26 -4.94 113.70 107.65 1btg s SER 113 Ca 0.56 0.61 -0.30 0.00 0.70 0.00 0.00 55.95 57.51 1btg s SER 113 Cb -0.11 0.63 -0.06 0.00 -1.71 0.00 0.00 66.02 64.77 1btg s SER 113 CO 0.50 -0.21 1.13 -0.60 1.20 0.00 0.00 173.24 175.26 1btg s ARG 114 N 1.95 4.51 0.18 5.44 6.06 -1.26 0.66 118.95 136.48 1btg s ARG 114 Ca -0.03 1.69 -0.30 0.00 -2.50 0.00 0.00 55.73 54.58 1btg s ARG 114 Cb -0.11 -3.35 -0.08 0.00 0.06 0.00 0.00 34.95 31.47 1btg s ARG 114 CO -0.09 -0.11 1.20 0.15 -2.50 0.00 0.00 175.30 173.94 1btg s LYS 115 N 0.61 4.49 -0.03 5.12 -0.14 -0.19 -4.84 119.74 124.76 1btg s LYS 115 Ca 0.55 1.86 -0.02 0.00 -1.36 0.00 0.00 55.97 57.00 1btg s LYS 115 Cb -0.28 -3.25 -0.09 0.00 -1.68 0.00 0.00 37.83 32.53 1btg s LYS 115 CO 0.31 -0.10 1.59 0.00 -0.76 0.00 0.00 175.35 176.39 1btg n ALA 116 N 2.61 2.89 -3.57 5.17 0.00 -1.26 -4.80 120.51 121.55 1btg n ALA 116 Ca 0.05 -0.67 -0.06 0.00 0.00 0.00 0.00 53.44 52.75 1btg n ALA 116 Cb 0.45 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 1btg n ALA 116 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1btg s THR 117 N 2.40 0.00 0.00 0.00 -4.23 -1.26 -5.28 115.64 107.27 1btg s THR 117 Ca 0.23 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1btg s THR 117 Cb 0.11 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.95 1btg s THR 117 CO -0.00 0.00 0.00 0.54 -0.54 0.00 0.00 174.62 174.62