#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 3.15 0.24 1.61 0.41 -1.26 -5.10 118.70 117.75 1btg s GLU 11 Ca 0.00 -0.67 0.10 0.00 -0.41 0.00 0.00 54.97 53.98 1btg s GLU 11 Cb 0.00 -2.58 -0.04 0.00 -1.78 0.00 0.00 34.13 29.73 1btg s GLU 11 CO 0.00 0.34 -0.04 -0.06 -0.49 0.00 0.00 175.26 175.01 1btg s PHE 12 N 0.02 2.65 0.23 1.61 0.40 -1.26 -5.13 117.98 116.50 1btg s PHE 12 Ca -0.04 -0.23 0.10 0.00 -0.60 0.00 0.00 56.93 56.16 1btg s PHE 12 Cb -0.14 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 1btg s PHE 12 CO 0.04 0.60 -0.10 -1.54 0.70 0.00 0.00 175.22 174.92 1btg s SER 13 N -3.43 4.15 0.11 1.36 1.04 -1.26 -5.03 113.70 110.63 1btg s SER 13 Ca 0.30 -0.71 0.05 0.00 0.48 0.00 0.00 55.95 56.07 1btg s SER 13 Cb -0.07 -0.64 -0.22 0.00 0.10 0.00 0.00 66.02 65.19 1btg s SER 13 CO 0.18 0.06 1.23 0.58 0.98 0.00 0.00 173.24 176.28 1btg h VAL 14 N 2.41 1.65 -3.77 5.02 2.07 -1.97 -3.43 116.25 118.23 1btg h VAL 14 Ca -0.45 -3.35 -0.27 0.00 0.82 0.00 0.00 66.70 63.45 1btg h VAL 14 Cb 1.23 2.85 -0.29 0.00 -1.52 0.00 0.00 31.29 33.56 1btg h VAL 14 CO 0.57 0.95 -0.73 0.00 0.02 0.00 0.00 177.57 178.37 1btg s ASP 16 N 0.06 6.62 0.37 0.00 1.01 -1.26 -4.97 116.67 118.50 1btg s ASP 16 Ca -0.00 0.75 0.08 0.00 0.71 0.00 0.00 52.55 54.09 1btg s ASP 16 Cb -0.02 -2.32 -0.06 0.00 1.01 0.00 0.00 42.92 41.53 1btg s ASP 16 CO -0.00 -0.23 0.04 -0.94 0.21 0.00 0.00 175.17 174.25 1btg s SER 17 N 1.19 4.14 -0.05 0.27 1.04 -1.26 0.20 113.70 119.24 1btg s SER 17 Ca 0.26 -1.10 -0.00 0.00 0.48 0.00 0.00 55.95 55.59 1btg s SER 17 Cb -0.16 -0.48 0.03 0.00 0.10 0.00 0.00 66.02 65.51 1btg s SER 17 CO 0.10 -0.35 -0.01 0.54 0.98 0.00 0.00 173.24 174.51 1btg s VAL 18 N -2.58 0.31 -0.07 5.02 0.11 0.74 -4.59 120.40 119.34 1btg s VAL 18 Ca 0.36 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 1btg s VAL 18 Cb 0.03 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1btg s VAL 18 CO 0.20 0.20 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.66 1btg s SER 19 N 1.33 4.70 0.33 3.54 0.01 -1.26 -1.16 113.70 121.18 1btg s SER 19 Ca -0.05 -0.02 -0.06 0.00 1.31 0.00 0.00 55.95 57.13 1btg s SER 19 Cb -0.13 -1.23 0.01 0.00 0.21 0.00 0.00 66.02 64.88 1btg s SER 19 CO -0.02 0.35 0.51 0.68 0.41 0.00 0.00 173.24 175.17 1btg s VAL 20 N -0.75 0.00 -0.15 3.43 -7.23 -0.05 -4.97 120.40 110.68 1btg s VAL 20 Ca 0.11 -1.49 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1btg s VAL 20 Cb -0.11 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.25 1btg s VAL 20 CO 0.02 0.00 -0.20 0.26 -0.31 0.00 0.00 175.10 174.87 1btg s TRP 21 N -3.16 2.71 -0.21 2.82 0.52 -1.26 0.28 118.94 120.64 1btg s TRP 21 Ca 0.27 -1.30 -0.07 0.00 0.02 0.00 0.00 56.10 55.02 1btg s TRP 21 Cb -0.01 -1.85 -0.03 0.00 -1.15 0.00 0.00 33.47 30.43 1btg s TRP 21 CO 0.17 -0.60 0.06 0.08 0.02 0.00 0.00 176.95 176.67 1btg s VAL 22 N 0.88 4.49 -0.24 4.03 1.01 -0.10 -4.93 120.40 125.54 1btg s VAL 22 Ca -0.05 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1btg s VAL 22 Cb -0.15 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.20 1btg s VAL 22 CO -0.03 0.40 0.65 0.61 0.00 0.00 0.00 175.10 176.73 1btg n GLY 23 N 4.18 -0.57 0.70 4.51 0.00 -1.26 -2.32 105.19 110.43 1btg n GLY 23 Ca -0.16 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 0.04 1.59 -4.74 1.61 5.75 -1.26 -4.73 116.55 114.81 1btg n ASP 24 Ca 0.01 -3.34 -0.42 0.00 -0.01 0.00 0.00 54.79 51.03 1btg n ASP 24 Cb 0.09 -0.46 -0.02 0.00 -1.03 0.00 0.00 41.12 39.71 1btg n ASP 24 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1btg n LYS 25 N -0.80 2.69 0.00 0.11 4.81 -1.26 -4.87 118.16 118.84 1btg n LYS 25 Ca 0.15 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.55 1btg n LYS 25 Cb 0.77 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 33.08 1btg n LYS 25 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1btg n THR 26 N 2.16 0.00 -3.90 3.15 -2.24 -1.26 -4.66 114.28 107.52 1btg n THR 26 Ca 0.09 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.77 1btg n THR 26 Cb 0.37 0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 68.68 1btg n THR 26 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1btg s THR 27 N -1.80 0.12 0.30 4.28 -4.23 -1.26 -1.75 115.64 111.29 1btg s THR 27 Ca 0.00 -0.97 -0.20 0.00 -1.18 0.00 0.00 61.69 59.34 1btg s THR 27 Cb 0.00 -0.78 0.03 0.00 1.34 0.00 0.00 72.50 73.08 1btg s THR 27 CO 0.00 -0.53 0.73 0.00 -0.54 0.00 0.00 174.62 174.28 1btg s ALA 28 N -2.31 -1.13 -0.19 3.99 0.00 -0.66 -4.91 121.76 116.56 1btg s ALA 28 Ca -0.07 -0.40 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 1btg s ALA 28 Cb -0.03 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1btg s ALA 28 CO -0.03 -1.03 0.05 -0.08 0.00 0.00 0.00 175.76 174.67 1btg s THR 29 N -3.60 4.57 0.48 0.00 -1.32 -1.26 -0.50 115.64 114.02 1btg s THR 29 Ca 0.12 -0.11 -0.06 0.00 -1.21 0.00 0.00 61.69 60.43 1btg s THR 29 Cb -0.06 -3.06 0.11 0.00 -1.51 0.00 0.00 72.50 67.98 1btg s THR 29 CO 0.08 0.45 0.66 -0.90 -2.21 0.00 0.00 174.62 172.70 1btg n ASP 30 N 3.72 0.23 -0.05 8.08 5.75 -0.53 0.77 116.55 134.51 1btg n ASP 30 Ca -0.17 -1.35 0.02 0.00 -0.01 0.00 0.00 54.79 53.29 1btg n ASP 30 Cb 0.52 -0.49 0.35 0.00 -1.03 0.00 0.00 41.12 40.47 1btg n ASP 30 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1btg h ILE 31 N -1.17 1.15 0.00 2.12 2.10 -1.57 0.14 117.51 120.28 1btg h ILE 31 Ca -0.21 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.32 1btg h ILE 31 Cb 0.63 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 36.91 1btg h ILE 31 CO 0.17 0.17 0.00 0.29 -1.08 0.00 0.00 178.15 177.70 1btg n LYS 32 N -4.40 0.00 -0.41 2.19 4.76 -1.26 -4.87 118.16 114.16 1btg n LYS 32 Ca 0.04 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1btg n LYS 32 Cb 0.11 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1btg n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1btg n GLY 33 N 0.87 0.78 3.82 0.72 0.00 0.48 -5.06 105.19 106.79 1btg n GLY 33 Ca 0.06 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.69 3.22 -0.13 1.61 -2.85 -1.26 -4.71 119.74 114.93 1btg s LYS 34 Ca 0.00 -0.37 -0.29 0.00 -1.00 0.00 0.00 55.97 54.31 1btg s LYS 34 Cb 0.00 -2.97 -0.03 0.00 -2.06 0.00 0.00 37.83 32.76 1btg s LYS 34 CO 0.00 0.69 1.50 -2.00 0.10 0.00 0.00 175.35 175.64 1btg s GLU 35 N -1.56 4.11 0.34 1.78 2.12 -1.26 -1.46 118.70 122.77 1btg s GLU 35 Ca 0.21 1.87 0.03 0.00 0.36 0.00 0.00 54.97 57.45 1btg s GLU 35 Cb -0.12 -3.92 -0.05 0.00 0.26 0.00 0.00 34.13 30.30 1btg s GLU 35 CO 0.12 -0.91 0.10 0.54 -0.54 0.00 0.00 175.26 174.57 1btg s VAL 36 N 4.12 0.82 -0.15 3.70 0.11 0.34 -4.98 120.40 124.36 1btg s VAL 36 Ca 0.66 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.70 1btg s VAL 36 Cb -0.27 -2.60 -0.01 0.00 -1.53 0.00 0.00 36.38 31.97 1btg s VAL 36 CO 0.24 0.00 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.02 1btg s THR 37 N -3.37 3.22 -0.26 5.04 2.01 -0.36 -1.66 115.64 120.26 1btg s THR 37 Ca 0.32 -0.59 -0.18 0.00 0.31 0.00 0.00 61.69 61.56 1btg s THR 37 Cb 0.06 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 1btg s THR 37 CO 0.15 0.50 0.50 -0.69 -0.69 0.00 0.00 174.62 174.39 1btg s VAL 38 N 0.61 5.08 0.05 3.82 1.01 -0.72 0.30 120.40 130.54 1btg s VAL 38 Ca -0.06 0.86 -0.31 0.00 0.00 0.00 0.00 61.98 62.47 1btg s VAL 38 Cb -0.15 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 1btg s VAL 38 CO 0.03 0.09 1.50 -0.76 0.00 0.00 0.00 175.10 175.96 1btg s LEU 39 N 2.28 4.34 0.10 3.92 1.02 -0.15 -4.59 118.68 125.60 1btg s LEU 39 Ca 0.21 2.30 -0.23 0.00 0.02 0.00 0.00 54.13 56.43 1btg s LEU 39 Cb -0.16 -3.57 -0.13 0.00 0.02 0.00 0.00 46.19 42.36 1btg s LEU 39 CO 0.09 -0.78 1.72 0.00 0.02 0.00 0.00 176.35 177.41 1btg h ALA 40 N 7.82 -0.06 -1.74 4.21 0.00 -1.87 -3.43 119.26 124.19 1btg h ALA 40 Ca -0.40 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.02 1btg h ALA 40 Cb 1.19 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1btg h ALA 40 CO 0.91 -0.54 -0.41 -1.83 0.00 0.00 0.00 179.25 177.38 1btg s GLU 41 N -6.18 2.72 -0.23 0.00 1.03 -1.26 -2.59 118.70 112.19 1btg s GLU 41 Ca -0.14 -1.32 -0.09 0.00 0.03 0.00 0.00 54.97 53.45 1btg s GLU 41 Cb 0.07 -2.50 0.10 0.00 -0.80 0.00 0.00 34.13 30.99 1btg s GLU 41 CO 0.66 0.00 0.51 0.54 -1.33 0.00 0.00 175.26 175.65 1btg s VAL 42 N -2.33 -0.58 -0.35 1.83 0.11 1.40 -4.89 120.40 115.58 1btg s VAL 42 Ca 0.44 0.09 -0.08 0.00 -2.93 0.00 0.00 61.98 59.50 1btg s VAL 42 Cb -0.06 -0.79 0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1btg s VAL 42 CO 0.28 0.04 0.13 0.21 -3.33 0.00 0.00 175.10 172.43 1btg s ASN 43 N 2.40 5.43 -0.08 3.54 3.84 -1.25 0.39 114.94 129.21 1btg s ASN 43 Ca -0.05 -1.11 -0.01 0.00 0.21 0.00 0.00 52.86 51.89 1btg s ASN 43 Cb -0.11 -1.91 0.03 0.00 -0.55 0.00 0.00 41.25 38.71 1btg s ASN 43 CO -0.15 -0.35 -0.01 -0.63 -2.79 0.00 0.00 177.10 173.17 1btg s ILE 44 N 1.44 0.47 -1.10 -5.21 1.09 -1.20 -4.87 121.20 111.83 1btg s ILE 44 Ca -0.01 0.05 -0.09 0.00 -1.10 0.00 0.00 60.65 59.50 1btg s ILE 44 Cb -0.19 -0.62 -0.05 0.00 -1.06 0.00 0.00 42.46 40.54 1btg s ILE 44 CO 0.04 0.27 0.88 0.59 -0.10 0.00 0.00 174.94 176.62 1btg n ASN 45 N 5.12 -5.73 -3.72 3.58 5.03 -1.26 -3.71 115.26 114.56 1btg n ASN 45 Ca -0.08 -0.79 -0.26 0.00 0.87 0.00 0.00 54.58 54.32 1btg n ASN 45 Cb 0.50 -4.70 0.03 0.00 -1.02 0.00 0.00 39.78 34.59 1btg n ASN 45 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1btg n ASN 46 N -3.08 -3.17 -3.61 6.41 6.94 -1.26 -5.00 115.26 112.49 1btg n ASN 46 Ca -0.10 -0.95 -0.10 0.00 -0.02 0.00 0.00 54.58 53.41 1btg n ASN 46 Cb 0.62 -3.58 -0.03 0.00 -2.36 0.00 0.00 39.78 34.42 1btg n ASN 46 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1btg s SER 47 N -3.90 -0.34 -0.07 0.53 0.15 -1.24 -5.16 113.70 103.66 1btg s SER 47 Ca 0.24 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1btg s SER 47 Cb -0.08 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 64.81 1btg s SER 47 CO 0.85 -0.97 -0.05 -0.69 1.20 0.00 0.00 173.24 173.57 1btg s VAL 48 N -3.82 0.71 0.10 4.45 1.01 -1.26 -3.24 120.40 118.35 1btg s VAL 48 Ca 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1btg s VAL 48 Cb -0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1btg s VAL 48 CO -0.09 0.29 -0.00 -0.36 0.00 0.00 0.00 175.10 174.94 1btg s PHE 49 N 1.30 0.79 -0.02 5.22 0.40 0.16 -4.92 117.98 120.91 1btg s PHE 49 Ca -0.04 -1.10 -0.03 0.00 -0.60 0.00 0.00 56.93 55.16 1btg s PHE 49 Cb -0.14 -0.48 -0.04 0.00 0.51 0.00 0.00 43.02 42.87 1btg s PHE 49 CO -0.02 -0.37 0.16 0.50 0.70 0.00 0.00 175.22 176.18 1btg s ARG 50 N -3.95 3.36 -0.21 0.44 3.52 -1.26 0.42 118.95 121.26 1btg s ARG 50 Ca 0.16 -0.34 -0.24 0.00 -0.13 0.00 0.00 55.73 55.18 1btg s ARG 50 Cb 0.07 -3.05 -0.01 0.00 -1.56 0.00 0.00 34.95 30.40 1btg s ARG 50 CO -0.03 0.68 0.77 -0.65 -0.81 0.00 0.00 175.30 175.26 1btg s GLN 51 N -1.82 4.22 0.02 5.12 -0.21 -1.07 -4.91 119.66 121.01 1btg s GLN 51 Ca 0.25 0.87 0.08 0.00 0.02 0.00 0.00 55.36 56.58 1btg s GLN 51 Cb -0.12 -3.61 -0.03 0.00 1.00 0.00 0.00 33.01 30.25 1btg s GLN 51 CO 0.16 -0.39 -0.24 0.71 -2.12 0.00 0.00 175.29 173.42 1btg s TYR 52 N 2.41 2.41 -0.03 0.91 1.51 -1.26 -4.48 117.35 118.81 1btg s TYR 52 Ca 0.34 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 1btg s TYR 52 Cb -0.16 -1.46 0.03 0.00 -0.11 0.00 0.00 41.96 40.26 1btg s TYR 52 CO 0.10 0.11 -0.00 -0.06 -1.11 0.00 0.00 175.55 174.58 1btg s PHE 53 N -0.76 0.34 -0.32 2.71 0.08 -0.98 -4.97 117.98 114.07 1btg s PHE 53 Ca 0.12 -0.02 -0.20 0.00 0.12 0.00 0.00 56.93 56.95 1btg s PHE 53 Cb -0.10 -0.41 -0.01 0.00 -0.57 0.00 0.00 43.02 41.93 1btg s PHE 53 CO 0.02 -0.13 0.59 0.12 -0.10 0.00 0.00 175.22 175.72 1btg s PHE 54 N 0.95 3.20 0.08 0.36 5.36 -1.26 -0.92 117.98 125.75 1btg s PHE 54 Ca -0.10 0.45 0.09 0.00 -0.96 0.00 0.00 56.93 56.41 1btg s PHE 54 Cb -0.13 -2.98 -0.04 0.00 -0.34 0.00 0.00 43.02 39.53 1btg s PHE 54 CO -0.01 -0.50 -0.22 -1.21 -1.46 0.00 0.00 175.22 171.81 1btg s GLU 55 N 2.56 1.77 -0.03 10.12 2.02 0.14 -4.92 118.70 130.36 1btg s GLU 55 Ca 0.23 -1.16 0.03 0.00 0.02 0.00 0.00 54.97 54.10 1btg s GLU 55 Cb -0.15 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.03 1btg s GLU 55 CO 0.13 0.50 -0.11 0.99 0.02 0.00 0.00 175.26 176.78 1btg s THR 56 N -0.99 0.96 0.17 3.63 2.01 -0.70 -0.87 115.64 119.86 1btg s THR 56 Ca 0.15 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 1btg s THR 56 Cb -0.10 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1btg s THR 56 CO 0.06 0.29 0.11 -0.54 -0.69 0.00 0.00 174.62 173.85 1btg s LYS 57 N 0.10 1.08 0.19 4.92 1.02 -0.31 -2.79 119.74 123.95 1btg s LYS 57 Ca -0.02 -1.52 -0.30 0.00 0.02 0.00 0.00 55.97 54.14 1btg s LYS 57 Cb -0.09 0.26 -0.08 0.00 -0.52 0.00 0.00 37.83 37.41 1btg s LYS 57 CO 0.01 -0.34 1.09 0.00 -0.92 0.00 0.00 175.35 175.19 1btg h ARG 59 N 4.91 0.16 -2.13 0.00 3.08 0.21 -3.43 114.38 117.18 1btg h ARG 59 Ca -0.45 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 59.52 1btg h ARG 59 Cb 1.21 0.01 -0.18 0.00 0.08 0.00 0.00 29.97 31.09 1btg h ARG 59 CO 0.71 0.66 0.33 0.00 -1.07 0.00 0.00 179.97 180.61 1btg s ALA 60 N -3.85 -1.79 0.20 0.04 0.00 -1.25 -5.03 121.76 110.09 1btg s ALA 60 Ca -0.03 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.13 1btg s ALA 60 Cb 0.13 0.06 0.14 0.00 0.00 0.00 0.00 23.12 23.45 1btg s ALA 60 CO 0.78 -0.48 1.48 1.03 0.00 0.00 0.00 175.76 178.56 1btg h SER 61 N 2.53 0.31 -2.24 0.00 0.87 -1.89 -3.37 113.55 109.76 1btg h SER 61 Ca -0.25 -0.20 -0.59 0.00 -1.23 0.00 0.00 61.79 59.52 1btg h SER 61 Cb 1.19 -0.09 -0.41 0.00 -0.44 0.00 0.00 62.40 62.66 1btg h SER 61 CO 0.35 0.91 -0.77 0.59 -0.53 0.00 0.00 176.83 177.39 1btg n ASN 62 N -3.80 2.36 -0.34 6.23 3.02 -1.26 -0.21 115.26 121.26 1btg n ASN 62 Ca -0.03 -3.13 0.30 0.00 -0.03 0.00 0.00 54.58 51.68 1btg n ASN 62 Cb 0.69 -0.66 0.55 0.00 -0.61 0.00 0.00 39.78 39.75 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 4.34 0.12 -5.49 3.52 0.13 -1.70 -3.41 132.00 129.51 1btg h PRO 63 Ca 0.16 -0.01 -0.64 0.00 -0.87 0.00 0.00 66.00 64.64 1btg h PRO 63 Cb 0.75 -0.03 -0.12 0.00 0.13 0.00 0.00 31.00 31.73 1btg h PRO 63 CO 0.68 0.08 -0.53 0.54 -0.23 0.00 0.00 178.00 178.55 1btg s VAL 64 N -5.55 1.61 0.07 1.56 0.11 -0.98 -5.00 120.40 112.22 1btg s VAL 64 Ca -0.09 -1.93 -0.34 0.00 -2.93 0.00 0.00 61.98 56.68 1btg s VAL 64 Cb 0.32 -2.54 -0.19 0.00 -1.53 0.00 0.00 36.38 32.44 1btg s VAL 64 CO 0.79 0.00 1.61 1.05 -3.33 0.00 0.00 175.10 175.21 1btg h GLU 65 N 1.46 -1.00 -0.78 1.54 9.09 -1.95 -3.18 114.58 119.75 1btg h GLU 65 Ca -0.43 0.07 0.16 0.00 0.05 0.00 0.00 59.36 59.20 1btg h GLU 65 Cb 1.28 0.23 -0.05 0.00 -1.65 0.00 0.00 28.75 28.56 1btg h GLU 65 CO 0.75 -0.67 0.52 0.66 0.05 0.00 0.00 179.01 180.32 1btg h SER 66 N -1.04 0.39 0.00 3.06 4.64 -1.96 -3.49 113.55 115.15 1btg h SER 66 Ca -0.10 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1btg h SER 66 Cb 0.81 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1btg h SER 66 CO 0.15 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 1btg n GLY 67 N -1.52 0.41 3.81 -0.77 0.00 -1.20 -4.50 105.19 101.41 1btg n GLY 67 Ca 0.15 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.20 4.57 0.00 0.00 3.52 0.04 -3.62 118.95 119.25 1btg s ARG 69 Ca 0.62 1.30 0.00 0.00 -0.13 0.00 0.00 55.73 57.53 1btg s ARG 69 Cb -0.15 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 1btg s ARG 69 CO 0.39 0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.36 1btg n GLY 70 N 2.71 0.83 3.71 8.12 0.00 -1.26 -4.43 105.19 114.88 1btg n GLY 70 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1btg n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1btg s ILE 71 N -2.22 2.75 -1.08 -0.61 -1.09 -1.24 -4.95 121.20 112.76 1btg s ILE 71 Ca 0.00 0.24 -0.06 0.00 -2.23 0.00 0.00 60.65 58.61 1btg s ILE 71 Cb 0.00 -2.57 0.29 0.00 -1.58 0.00 0.00 42.46 38.61 1btg s ILE 71 CO 0.00 -0.32 1.31 -0.67 -1.23 0.00 0.00 174.94 174.03 1btg n ASP 72 N -3.88 5.98 0.12 3.58 2.03 -1.26 -4.85 116.55 118.27 1btg n ASP 72 Ca 0.09 -3.26 0.09 0.00 0.52 0.00 0.00 54.79 52.23 1btg n ASP 72 Cb 0.53 -1.30 0.46 0.00 -0.72 0.00 0.00 41.12 40.09 1btg n ASP 72 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1btg n SER 73 N 1.87 0.45 0.28 1.67 3.41 -1.26 -0.65 113.62 119.39 1btg n SER 73 Ca 0.25 0.70 0.16 0.00 -0.26 0.00 0.00 58.87 59.72 1btg n SER 73 Cb 0.36 -0.76 0.78 0.00 -0.26 0.00 0.00 64.21 64.33 1btg n SER 73 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1btg h LYS 74 N 0.00 0.00 0.00 4.33 6.56 -2.03 -3.23 116.57 122.21 1btg h LYS 74 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1btg h LYS 74 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1btg h LYS 74 CO 0.00 0.06 0.00 0.72 -2.06 0.00 0.00 179.45 178.17 1btg n HIS 75 N -3.27 0.00 -4.05 -1.35 8.25 0.18 -4.90 115.22 110.08 1btg n HIS 75 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 1btg n HIS 75 Cb 0.25 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.25 1btg n HIS 75 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1btg s TRP 76 N -0.15 0.58 -0.08 4.41 0.52 0.14 -2.85 118.94 121.50 1btg s TRP 76 Ca 0.00 -0.53 -0.02 0.00 0.02 0.00 0.00 56.10 55.57 1btg s TRP 76 Cb 0.00 -0.35 -0.03 0.00 -1.15 0.00 0.00 33.47 31.93 1btg s TRP 76 CO 0.00 -0.12 0.00 -0.80 0.02 0.00 0.00 176.95 176.05 1btg s ASN 77 N -1.62 5.22 0.05 2.95 0.02 0.41 -3.99 114.94 117.97 1btg s ASN 77 Ca -0.10 0.14 -0.23 0.00 -1.02 0.00 0.00 52.86 51.65 1btg s ASN 77 Cb -0.09 -1.46 0.05 0.00 0.02 0.00 0.00 41.25 39.77 1btg s ASN 77 CO -0.00 0.38 0.53 -0.94 0.02 0.00 0.00 177.10 177.08 1btg s SER 78 N -0.90 -0.45 0.26 -1.22 1.04 -1.26 -0.02 113.70 111.14 1btg s SER 78 Ca 0.13 0.20 -0.08 0.00 0.48 0.00 0.00 55.95 56.68 1btg s SER 78 Cb -0.11 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1btg s SER 78 CO 0.03 -0.72 0.40 -0.72 0.98 0.00 0.00 173.24 173.21 1btg s TYR 79 N -2.42 0.68 0.03 5.02 1.13 -0.26 -3.38 117.35 118.16 1btg s TYR 79 Ca -0.05 -0.99 -0.12 0.00 -1.41 0.00 0.00 57.07 54.50 1btg s TYR 79 Cb -0.01 -0.03 -0.06 0.00 -1.10 0.00 0.00 41.96 40.77 1btg s TYR 79 CO -0.01 -0.95 0.38 0.00 -2.51 0.00 0.00 175.55 172.46 1btg s THR 81 N -1.24 0.08 -0.08 0.00 -1.32 0.20 -4.48 115.64 108.80 1btg s THR 81 Ca 0.28 -0.63 -0.18 0.00 -1.21 0.00 0.00 61.69 59.95 1btg s THR 81 Cb -0.15 -0.96 -0.05 0.00 -1.51 0.00 0.00 72.50 69.83 1btg s THR 81 CO 0.15 -0.35 0.47 0.28 -2.21 0.00 0.00 174.62 172.97 1btg s THR 82 N -2.61 5.12 0.22 5.08 -1.32 -1.25 0.52 115.64 121.39 1btg s THR 82 Ca -0.04 0.96 0.08 0.00 -1.21 0.00 0.00 61.69 61.47 1btg s THR 82 Cb -0.01 -3.81 -0.04 0.00 -1.51 0.00 0.00 72.50 67.14 1btg s THR 82 CO -0.04 0.39 0.07 0.42 -2.21 0.00 0.00 174.62 173.25 1btg s THR 83 N 0.15 3.92 0.42 5.08 -4.23 0.33 -4.96 115.64 116.36 1btg s THR 83 Ca 0.26 -1.52 0.07 0.00 -1.18 0.00 0.00 61.69 59.32 1btg s THR 83 Cb -0.16 -3.05 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 1btg s THR 83 CO 0.12 -0.25 0.16 -1.00 -0.54 0.00 0.00 174.62 173.11 1btg s HIS 84 N -2.01 2.57 0.26 3.99 3.76 -1.26 0.24 115.29 122.84 1btg s HIS 84 Ca 0.30 -0.61 0.06 0.00 -0.15 0.00 0.00 55.06 54.67 1btg s HIS 84 Cb -0.08 -1.94 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 1btg s HIS 84 CO 0.21 0.20 0.23 2.41 -0.85 0.00 0.00 174.74 176.94 1btg n THR 85 N -1.22 0.00 -4.68 1.30 -1.04 0.03 -4.72 114.28 103.96 1btg n THR 85 Ca -0.02 -1.89 -0.24 0.00 -2.04 0.00 0.00 64.05 59.86 1btg n THR 85 Cb 0.65 0.95 -0.15 0.00 -1.82 0.00 0.00 70.33 69.96 1btg n THR 85 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1btg s PHE 86 N -3.07 1.52 -0.02 -1.42 0.08 -1.26 -1.02 117.98 112.79 1btg s PHE 86 Ca 0.31 -0.32 -0.06 0.00 0.12 0.00 0.00 56.93 56.98 1btg s PHE 86 Cb 0.01 -0.95 0.01 0.00 -0.57 0.00 0.00 43.02 41.52 1btg s PHE 86 CO 0.22 0.01 0.14 0.08 -0.10 0.00 0.00 175.22 175.57 1btg s VAL 87 N -0.57 0.05 0.10 -0.44 1.01 -1.06 -4.92 120.40 114.58 1btg s VAL 87 Ca 0.06 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1btg s VAL 87 Cb -0.07 -0.33 -0.06 0.00 0.00 0.00 0.00 36.38 35.91 1btg s VAL 87 CO 0.00 -0.22 1.13 -0.75 0.00 0.00 0.00 175.10 175.26 1btg s LYS 88 N -0.75 4.51 0.02 2.72 2.20 -1.26 -0.76 119.74 126.42 1btg s LYS 88 Ca -0.08 1.71 -0.06 0.00 -0.36 0.00 0.00 55.97 57.17 1btg s LYS 88 Cb -0.05 -3.33 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1btg s LYS 88 CO 0.01 -0.09 0.11 0.00 -0.36 0.00 0.00 175.35 175.02 1btg s ALA 89 N 0.50 -0.19 -0.16 3.13 0.00 0.23 -4.92 121.76 120.35 1btg s ALA 89 Ca 0.54 -0.34 -0.26 0.00 0.00 0.00 0.00 51.96 51.90 1btg s ALA 89 Cb -0.28 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1btg s ALA 89 CO 0.31 -0.25 0.88 -1.17 0.00 0.00 0.00 175.76 175.54 1btg s LEU 90 N -1.71 4.18 0.00 0.00 2.96 -1.26 -0.65 118.68 122.20 1btg s LEU 90 Ca -0.11 1.26 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 1btg s LEU 90 Cb -0.05 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.31 1btg s LEU 90 CO -0.01 -0.43 0.00 0.35 -1.32 0.00 0.00 176.35 174.94 1btg n THR 91 N 4.74 0.00 -3.59 3.68 -2.24 -0.82 -0.98 114.28 115.07 1btg n THR 91 Ca 0.06 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.82 1btg n THR 91 Cb 0.49 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.66 1btg n THR 91 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1btg s THR 92 N -1.22 -0.50 -0.21 4.28 -1.32 0.86 -2.53 115.64 114.99 1btg s THR 92 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1btg s THR 92 Cb 0.00 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.14 1btg s THR 92 CO 0.00 0.00 1.98 -0.90 -2.21 0.00 0.00 174.62 173.49 1btg n ASP 93 N 4.81 5.98 0.00 8.08 5.68 -1.04 -1.22 116.55 138.84 1btg n ASP 93 Ca -0.14 -2.84 0.00 0.00 -0.50 0.00 0.00 54.79 51.31 1btg n ASP 93 Cb 0.53 -1.06 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1btg n ASP 93 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1btg n GLU 94 N 0.68 0.00 -0.06 0.11 4.07 -1.26 -4.45 120.64 119.73 1btg n GLU 94 Ca 0.20 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.18 1btg n GLU 94 Cb 0.57 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.91 1btg n GLU 94 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1btg n LYS 95 N 0.00 0.30 -2.57 5.31 4.76 -1.26 -5.00 118.16 119.71 1btg n LYS 95 Ca 0.00 0.13 -0.42 0.00 -2.87 0.00 0.00 58.31 55.14 1btg n LYS 95 Cb 0.00 -1.02 -0.03 0.00 -1.84 0.00 0.00 35.03 32.15 1btg n LYS 95 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1btg s GLN 96 N -2.35 4.36 -0.52 1.97 0.74 -1.26 -5.01 119.66 117.60 1btg s GLN 96 Ca -0.19 1.53 -0.16 0.00 0.05 0.00 0.00 55.36 56.59 1btg s GLN 96 Cb 0.06 -3.57 0.10 0.00 1.10 0.00 0.00 33.01 30.69 1btg s GLN 96 CO 0.25 -0.43 0.49 0.00 -0.55 0.00 0.00 175.29 175.05 1btg s ALA 97 N 2.32 3.57 0.02 1.58 0.00 -1.26 -2.49 121.76 125.49 1btg s ALA 97 Ca 0.52 -2.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.18 1btg s ALA 97 Cb -0.21 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1btg s ALA 97 CO 0.18 -1.94 0.02 0.00 0.00 0.00 0.00 175.76 174.02 1btg s ALA 98 N 1.83 -0.02 0.36 0.00 0.00 -1.05 -4.97 121.76 117.91 1btg s ALA 98 Ca 0.05 -0.45 -0.27 0.00 0.00 0.00 0.00 51.96 51.30 1btg s ALA 98 Cb -0.26 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 1btg s ALA 98 CO 0.06 -0.18 1.15 -1.58 0.00 0.00 0.00 175.76 175.21 1btg s TRP 99 N -1.45 3.22 0.09 0.00 0.52 -1.26 -1.95 118.94 118.10 1btg s TRP 99 Ca -0.16 1.59 -0.15 0.00 0.02 0.00 0.00 56.10 57.40 1btg s TRP 99 Cb -0.09 -3.37 0.03 0.00 -1.15 0.00 0.00 33.47 28.89 1btg s TRP 99 CO -0.00 -1.10 0.36 1.03 0.02 0.00 0.00 176.95 177.26 1btg s ARG 100 N -2.04 0.96 -0.24 4.98 0.52 0.17 -4.92 118.95 118.38 1btg s ARG 100 Ca 0.53 -0.61 -0.18 0.00 -0.52 0.00 0.00 55.73 54.95 1btg s ARG 100 Cb -0.31 0.42 -0.03 0.00 0.52 0.00 0.00 34.95 35.55 1btg s ARG 100 CO 0.40 -0.35 0.49 -0.06 0.02 0.00 0.00 175.30 175.80 1btg s PHE 101 N -3.25 3.29 0.33 -0.53 0.40 -1.25 0.75 117.98 117.72 1btg s PHE 101 Ca -0.00 0.64 0.08 0.00 -0.60 0.00 0.00 56.93 57.05 1btg s PHE 101 Cb 0.01 -2.68 -0.04 0.00 0.51 0.00 0.00 43.02 40.82 1btg s PHE 101 CO -0.08 -0.22 0.16 0.96 0.70 0.00 0.00 175.22 176.74 1btg s ILE 102 N 2.08 3.14 -0.04 0.64 -4.36 0.06 -1.39 121.20 121.33 1btg s ILE 102 Ca 0.21 -1.66 -0.20 0.00 -0.26 0.00 0.00 60.65 58.74 1btg s ILE 102 Cb -0.16 -3.01 -0.05 0.00 1.25 0.00 0.00 42.46 40.50 1btg s ILE 102 CO 0.09 -0.19 0.56 -0.60 0.24 0.00 0.00 174.94 175.04 1btg s ARG 103 N -3.86 4.30 0.03 0.37 3.52 0.23 -2.56 118.95 120.99 1btg s ARG 103 Ca 0.38 0.66 0.03 0.00 -0.13 0.00 0.00 55.73 56.66 1btg s ARG 103 Cb -0.03 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 1btg s ARG 103 CO 0.23 0.32 -0.10 0.42 -0.81 0.00 0.00 175.30 175.36 1btg s ILE 104 N 0.02 0.73 0.02 4.11 -1.09 -0.18 -4.66 121.20 120.14 1btg s ILE 104 Ca 0.30 -0.91 -0.30 0.00 -2.23 0.00 0.00 60.65 57.51 1btg s ILE 104 Cb -0.17 -0.71 -0.05 0.00 -1.58 0.00 0.00 42.46 39.95 1btg s ILE 104 CO 0.15 -0.16 1.20 -1.81 -1.23 0.00 0.00 174.94 173.10 1btg s ASP 105 N -1.18 7.07 0.00 3.58 1.01 -1.26 -0.79 116.67 125.10 1btg s ASP 105 Ca -0.04 1.96 0.00 0.00 0.71 0.00 0.00 52.55 55.18 1btg s ASP 105 Cb -0.08 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1btg s ASP 105 CO 0.01 -0.51 0.00 1.07 0.21 0.00 0.00 175.17 175.95 1btg n THR 106 N 4.15 0.00 -3.61 -1.27 5.66 0.14 -1.72 114.28 117.63 1btg n THR 106 Ca 0.10 -0.22 -0.01 0.00 -3.05 0.00 0.00 64.05 60.87 1btg n THR 106 Cb 0.46 0.73 -0.01 0.00 -1.55 0.00 0.00 70.33 69.96 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 -1.20 -2.19 -0.32 1.79 0.00 -0.99 -4.46 121.76 114.39 1btg s ALA 107 Ca 0.00 1.11 -0.03 0.00 0.00 0.00 0.00 51.96 53.04 1btg s ALA 107 Cb 0.00 0.14 0.06 0.00 0.00 0.00 0.00 23.12 23.31 1btg s ALA 107 CO 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 175.76 174.95 1btg s VAL 109 N 1.27 2.63 -0.21 0.00 -7.23 0.18 -4.73 120.40 112.31 1btg s VAL 109 Ca -0.03 -1.78 -0.21 0.00 -1.81 0.00 0.00 61.98 58.14 1btg s VAL 109 Cb -0.20 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 1btg s VAL 109 CO -0.01 -0.03 0.67 0.00 -0.31 0.00 0.00 175.10 175.42 1btg s VAL 111 N 2.16 5.23 0.11 0.00 1.01 0.46 -4.91 120.40 124.46 1btg s VAL 111 Ca 0.29 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.16 1btg s VAL 111 Cb -0.16 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1btg s VAL 111 CO 0.10 0.39 0.01 -0.76 0.00 0.00 0.00 175.10 174.84 1btg s LEU 112 N -1.70 3.47 -0.17 3.92 1.02 -1.26 -1.10 118.68 122.87 1btg s LEU 112 Ca 0.24 -0.21 -0.07 0.00 0.02 0.00 0.00 54.13 54.11 1btg s LEU 112 Cb -0.12 -2.18 0.07 0.00 0.02 0.00 0.00 46.19 43.98 1btg s LEU 112 CO 0.14 0.15 0.37 -0.94 0.02 0.00 0.00 176.35 176.09 1btg s SER 113 N -2.47 -0.19 0.86 2.29 1.04 0.97 -4.98 113.70 111.23 1btg s SER 113 Ca 0.26 0.83 -0.11 0.00 0.48 0.00 0.00 55.95 57.42 1btg s SER 113 Cb -0.11 0.96 0.11 0.00 0.10 0.00 0.00 66.02 67.08 1btg s SER 113 CO 0.19 -0.22 1.11 -0.60 0.98 0.00 0.00 173.24 174.70 1btg s ARG 114 N 2.12 1.48 0.00 4.02 6.06 -1.26 0.15 118.95 131.52 1btg s ARG 114 Ca -0.04 1.26 0.02 0.00 -2.50 0.00 0.00 55.73 54.47 1btg s ARG 114 Cb -0.11 -1.80 -0.01 0.00 0.06 0.00 0.00 34.95 33.09 1btg s ARG 114 CO -0.11 -2.22 -0.07 -1.59 -2.50 0.00 0.00 175.30 168.81 1btg s LYS 115 N -4.78 0.53 -0.84 5.12 -2.85 -1.13 -4.60 119.74 111.19 1btg s LYS 115 Ca 0.64 -0.31 -0.23 0.00 -1.00 0.00 0.00 55.97 55.07 1btg s LYS 115 Cb -0.20 -0.49 0.07 0.00 -2.06 0.00 0.00 37.83 35.15 1btg s LYS 115 CO 0.57 0.13 1.20 0.00 0.10 0.00 0.00 175.35 177.35 1btg s ALA 116 N -0.33 3.00 1.00 0.59 0.00 -1.26 -4.89 121.76 119.87 1btg s ALA 116 Ca 0.01 -2.09 0.00 0.00 0.00 0.00 0.00 51.96 49.88 1btg s ALA 116 Cb -0.04 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.92 1btg s ALA 116 CO -0.00 -3.16 0.00 0.25 0.00 0.00 0.00 175.76 172.85 1btg n THR 117 N 6.16 0.00 -1.61 0.00 -2.24 -1.26 -5.20 114.28 110.13 1btg n THR 117 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1btg n THR 117 Cb 0.49 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 1btg n THR 117 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39