#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtc s VAL 3 N 0.00 2.02 -0.00 1.39 -7.23 -1.26 -0.01 120.40 115.31 2gtc s VAL 3 Ca 0.00 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 2gtc s VAL 3 Cb 0.00 -1.79 -0.00 0.00 0.56 0.00 0.00 36.38 35.14 2gtc s VAL 3 CO 0.00 0.54 -0.02 0.28 -0.31 0.00 0.00 175.10 175.60 2gtc s THR 4 N 0.90 0.12 -1.73 5.32 -1.32 0.38 -4.99 115.64 114.31 2gtc s THR 4 Ca -0.05 -0.06 0.20 0.00 -1.21 0.00 0.00 61.69 60.56 2gtc s THR 4 Cb -0.15 -0.11 0.46 0.00 -1.51 0.00 0.00 72.50 71.19 2gtc s THR 4 CO -0.04 0.03 1.60 0.35 -2.21 0.00 0.00 174.62 174.36 2gtc n THR 5 N 3.05 0.20 -2.68 5.08 -2.24 -1.26 -1.56 114.28 114.86 2gtc n THR 5 Ca -0.12 0.05 -0.27 0.00 -2.27 0.00 0.00 64.05 61.44 2gtc n THR 5 Cb 0.59 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2gtc n THR 5 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2gtc s THR 6 N -2.27 4.85 -0.60 4.28 -4.23 -1.26 -4.16 115.64 112.25 2gtc s THR 6 Ca 0.25 0.13 0.26 0.00 -1.18 0.00 0.00 61.69 61.15 2gtc s THR 6 Cb 0.13 -3.84 0.29 0.00 1.34 0.00 0.00 72.50 70.43 2gtc s THR 6 CO 0.26 -0.81 1.75 0.28 -0.54 0.00 0.00 174.62 175.57 2gtc h SER 7 N 0.24 0.00 -5.41 3.99 0.02 -1.95 0.13 113.55 110.57 2gtc h SER 7 Ca -0.47 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.30 2gtc h SER 7 Cb 1.21 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.66 2gtc h SER 7 CO 0.61 0.00 -0.20 -0.83 -1.14 0.00 0.00 176.83 175.28 2gtc s GLY 8 N -3.69 1.09 -0.45 -3.77 0.00 -1.26 -4.73 107.32 94.52 2gtc s GLY 8 Ca 0.08 -1.27 -0.03 0.00 0.00 0.00 0.00 44.72 43.50 2gtc s GLY 8 CO 0.56 -0.88 0.25 -0.42 0.00 0.00 0.00 173.10 172.61 2gtc s ILE 9 N -3.53 3.43 0.18 0.90 1.01 -1.26 -5.02 121.20 116.92 2gtc s ILE 9 Ca 0.28 -2.17 -0.32 0.00 0.00 0.00 0.00 60.65 58.45 2gtc s ILE 9 Cb 0.00 -3.33 -0.16 0.00 0.01 0.00 0.00 42.46 38.99 2gtc s ILE 9 CO 0.15 -0.73 1.02 0.00 0.00 0.00 0.00 174.94 175.38 2gtc n GLN 10 N 4.46 0.90 0.00 2.79 6.02 -1.26 -1.27 117.38 129.03 2gtc n GLN 10 Ca -0.01 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 2gtc n GLN 10 Cb 0.41 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.96 2gtc n GLN 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gtc n GLY 11 N 1.81 2.76 3.43 1.08 0.00 -1.26 -4.98 105.19 108.03 2gtc n GLY 11 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2gtc n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gtc s LYS 12 N 0.00 1.55 -0.13 1.61 1.02 -0.39 -5.13 119.74 118.26 2gtc s LYS 12 Ca 0.00 -1.30 -0.04 0.00 0.02 0.00 0.00 55.97 54.65 2gtc s LYS 12 Cb 0.00 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 2gtc s LYS 12 CO 0.00 0.46 0.02 -1.21 -0.92 0.00 0.00 175.35 173.69 2gtc s GLU 13 N -2.14 3.44 -0.23 1.68 2.02 -1.26 -4.56 118.70 117.64 2gtc s GLU 13 Ca 0.16 -0.40 -0.27 0.00 0.02 0.00 0.00 54.97 54.49 2gtc s GLU 13 Cb -0.10 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.17 2gtc s GLU 13 CO 0.08 0.48 0.92 0.42 0.02 0.00 0.00 175.26 177.18 2gtc s ILE 14 N -0.26 4.77 -0.11 -1.63 1.01 -1.26 -4.27 121.20 119.45 2gtc s ILE 14 Ca 0.06 1.77 -0.13 0.00 0.00 0.00 0.00 60.65 62.36 2gtc s ILE 14 Cb -0.12 -4.20 -0.27 0.00 0.01 0.00 0.00 42.46 37.88 2gtc s ILE 14 CO 0.02 -0.11 0.48 0.40 0.00 0.00 0.00 174.94 175.73 2gtc h ILE 15 N 5.42 0.88 -3.64 2.92 5.03 0.10 -3.48 117.51 124.74 2gtc h ILE 15 Ca -0.22 -2.38 -0.28 0.00 -0.12 0.00 0.00 64.86 61.87 2gtc h ILE 15 Cb 1.08 2.61 -0.31 0.00 -3.03 0.00 0.00 36.82 37.17 2gtc h ILE 15 CO 0.92 0.75 -0.73 -0.70 -0.68 0.00 0.00 178.15 177.71 2gtc s GLU 16 N -2.51 0.06 -0.59 2.37 2.12 -1.17 -4.98 118.70 114.01 2gtc s GLU 16 Ca -0.21 0.06 -0.19 0.00 0.36 0.00 0.00 54.97 54.99 2gtc s GLU 16 Cb 0.05 -0.18 0.10 0.00 0.26 0.00 0.00 34.13 34.36 2gtc s GLU 16 CO 0.76 -0.07 0.70 0.71 -0.54 0.00 0.00 175.26 176.83 2gtc s TYR 17 N 0.49 3.00 -0.10 5.30 1.51 -1.26 -1.09 117.35 125.19 2gtc s TYR 17 Ca -0.04 -0.95 -0.19 0.00 -1.01 0.00 0.00 57.07 54.88 2gtc s TYR 17 Cb -0.06 -3.99 -0.16 0.00 -0.11 0.00 0.00 41.96 37.63 2gtc s TYR 17 CO -0.01 -1.29 0.62 0.82 -1.11 0.00 0.00 175.55 174.58 2gtc h ILE 18 N 5.92 1.04 -2.15 2.71 2.04 -1.25 -3.49 117.51 122.33 2gtc h ILE 18 Ca -0.29 -1.60 0.15 0.00 1.00 0.00 0.00 64.86 64.12 2gtc h ILE 18 Cb 1.09 1.89 -0.15 0.00 -0.74 0.00 0.00 36.82 38.91 2gtc h ILE 18 CO 1.10 0.33 0.55 -0.62 0.00 0.00 0.00 178.15 179.50 2gtc s ASP 19 N -5.80 -0.30 -0.13 1.72 2.15 -1.15 -5.03 116.67 108.13 2gtc s ASP 19 Ca -0.12 -0.06 -0.27 0.00 0.43 0.00 0.00 52.55 52.53 2gtc s ASP 19 Cb -0.01 0.36 -0.02 0.00 -0.30 0.00 0.00 42.92 42.95 2gtc s ASP 19 CO 0.45 -0.59 0.91 -0.63 -0.17 0.00 0.00 175.17 175.13 2gtc s ILE 20 N -3.02 4.85 0.24 4.11 1.01 -1.26 -0.47 121.20 126.65 2gtc s ILE 20 Ca 0.07 1.82 0.09 0.00 0.00 0.00 0.00 60.65 62.63 2gtc s ILE 20 Cb -0.01 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2gtc s ILE 20 CO -0.07 0.04 -0.01 0.68 0.00 0.00 0.00 174.94 175.58 2gtc s VAL 21 N 1.95 3.48 0.02 2.92 -7.23 0.05 -4.92 120.40 116.66 2gtc s VAL 21 Ca 0.43 -1.80 -0.04 0.00 -1.81 0.00 0.00 61.98 58.76 2gtc s VAL 21 Cb -0.18 -2.83 -0.01 0.00 0.56 0.00 0.00 36.38 33.93 2gtc s VAL 21 CO 0.16 -0.30 0.07 0.20 -0.31 0.00 0.00 175.10 174.92 2gtc s ASN 22 N -3.46 0.13 0.02 4.85 0.01 -1.26 -1.50 114.94 113.73 2gtc s ASN 22 Ca 0.30 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 2gtc s ASN 22 Cb -0.07 0.17 -0.02 0.00 0.41 0.00 0.00 41.25 41.74 2gtc s ASN 22 CO 0.19 -0.38 -0.04 -0.83 -1.51 0.00 0.00 177.10 174.54 2gtc s GLY 23 N -1.57 0.26 0.16 0.66 0.00 -0.58 -4.92 107.32 101.34 2gtc s GLY 23 Ca -0.13 -0.56 0.03 0.00 0.00 0.00 0.00 44.72 44.06 2gtc s GLY 23 CO -0.01 -0.62 -0.05 -0.54 0.00 0.00 0.00 173.10 171.89 2gtc s GLU 24 N -1.32 1.10 -0.16 2.90 8.01 -1.26 -0.37 118.70 127.60 2gtc s GLU 24 Ca -0.13 -1.50 -0.13 0.00 0.01 0.00 0.00 54.97 53.22 2gtc s GLU 24 Cb -0.09 -0.48 0.05 0.00 -4.31 0.00 0.00 34.13 29.30 2gtc s GLU 24 CO -0.01 -0.02 0.41 0.00 0.01 0.00 0.00 175.26 175.65 2gtc s ALA 25 N -3.47 -1.03 0.00 5.21 0.00 -0.67 -4.12 121.76 117.69 2gtc s ALA 25 Ca 0.20 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2gtc s ALA 25 Cb 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.42 2gtc s ALA 25 CO 0.02 -0.21 0.00 -0.89 0.00 0.00 0.00 175.76 174.68 2gtc n ILE 26 N 3.24 0.00 -4.33 0.00 2.08 -1.26 -1.37 119.36 117.71 2gtc n ILE 26 Ca -0.16 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 62.94 2gtc n ILE 26 Cb 0.57 -0.39 -0.11 0.00 -0.75 0.00 0.00 39.64 38.96 2gtc n ILE 26 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2gtc s GLY 28 N -0.62 1.38 0.35 7.39 0.00 -1.26 -4.98 107.32 109.57 2gtc s GLY 28 Ca 0.00 -1.51 0.08 0.00 0.00 0.00 0.00 44.72 43.29 2gtc s GLY 28 CO 0.00 -1.57 1.87 0.00 0.00 0.00 0.00 173.10 173.39 2gtc h ALA 29 N 3.13 1.79 -0.13 3.20 0.00 -1.90 -1.73 119.26 123.61 2gtc h ALA 29 Ca -0.41 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2gtc h ALA 29 Cb 1.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2gtc h ALA 29 CO 0.53 -0.03 0.01 -0.91 0.00 0.00 0.00 179.25 178.85 2gtc h ASN 30 N 0.73 0.22 -0.50 0.00 4.21 -1.98 -0.53 115.58 117.73 2gtc h ASN 30 Ca 0.45 -0.29 -0.00 0.00 1.21 0.00 0.00 56.30 57.67 2gtc h ASN 30 Cb 0.67 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.79 2gtc h ASN 30 CO -0.21 0.45 0.31 0.40 -1.29 0.00 0.00 177.43 177.09 2gtc h ILE 31 N -0.02 1.15 -0.52 2.81 1.08 -1.87 0.27 117.51 120.42 2gtc h ILE 31 Ca 0.04 -0.32 -0.07 0.00 -0.39 0.00 0.00 64.86 64.12 2gtc h ILE 31 Cb 0.34 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 2gtc h ILE 31 CO 0.00 0.15 0.06 0.58 -0.69 0.00 0.00 178.15 178.25 2gtc h VAL 32 N 0.67 1.26 0.15 1.67 2.07 -1.35 -1.48 116.25 119.23 2gtc h VAL 32 Ca 0.18 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2gtc h VAL 32 Cb -0.03 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2gtc h VAL 32 CO -0.04 0.36 -0.17 -0.09 0.02 0.00 0.00 177.57 177.65 2gtc h ARG 33 N 0.76 -0.31 -0.55 1.57 2.43 -0.71 0.81 114.38 118.37 2gtc h ARG 33 Ca 0.15 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.36 2gtc h ARG 33 Cb 0.44 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 2gtc h ARG 33 CO 0.02 -0.21 0.35 -0.44 -1.51 0.00 0.00 179.97 178.17 2gtc h ASP 34 N -0.33 0.58 0.02 -3.80 3.32 -0.49 -3.05 116.42 112.68 2gtc h ASP 34 Ca -0.02 -0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.64 2gtc h ASP 34 Cb 0.29 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 2gtc h ASP 34 CO -0.03 0.41 -2.36 0.18 -1.72 0.00 0.00 179.24 175.72 2gtc n LEU 35 N -4.75 2.69 -0.09 1.55 4.77 -0.56 -4.22 117.00 116.39 2gtc n LEU 35 Ca 0.04 0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 55.87 2gtc n LEU 35 Cb 0.06 -0.93 -0.11 0.00 -2.33 0.00 0.00 43.42 40.10 2gtc n LEU 35 CO 0.33 0.83 -0.22 -0.26 -1.33 0.00 0.00 177.39 176.75 2gtc h PHE 36 N -0.21 0.00 0.00 -1.77 -1.00 -1.27 -3.37 116.94 109.32 2gtc h PHE 36 Ca -0.57 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.21 2gtc h PHE 36 Cb 1.85 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.41 2gtc h PHE 36 CO 0.02 1.23 0.00 0.00 -1.61 0.00 0.00 178.31 177.95 2gtc n ALA 37 N -3.16 2.59 -0.04 2.45 0.00 0.14 -2.95 120.51 119.54 2gtc n ALA 37 Ca -0.23 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 52.87 2gtc n ALA 37 Cb 0.58 -1.49 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 2gtc n ALA 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2gtc h SER 38 N 0.00 0.70 -0.77 0.00 4.64 -1.71 -3.47 113.55 112.95 2gtc h SER 38 Ca 0.00 -0.61 -0.60 0.00 -0.47 0.00 0.00 61.79 60.11 2gtc h SER 38 Cb 0.07 -0.21 0.04 0.00 -0.31 0.00 0.00 62.40 62.00 2gtc h SER 38 CO 0.00 1.19 0.03 0.52 -0.87 0.00 0.00 176.83 177.70 2gtc n VAL 39 N -4.19 0.05 -0.09 0.95 0.31 -1.15 -4.89 118.33 109.32 2gtc n VAL 39 Ca -0.07 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.12 2gtc n VAL 39 Cb 0.60 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.45 2gtc n VAL 39 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2gtc n ARG 40 N 1.14 0.45 0.00 5.55 1.74 -1.26 -5.02 116.66 119.26 2gtc n ARG 40 Ca 0.15 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2gtc n ARG 40 Cb 0.07 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2gtc n ARG 40 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2gtc n ASP 41 N -3.07 0.00 -3.94 0.55 4.64 -1.26 -5.09 116.55 108.39 2gtc n ASP 41 Ca -0.32 0.00 -0.29 0.00 -1.38 0.00 0.00 54.79 52.80 2gtc n ASP 41 Cb 0.84 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.75 2gtc n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2gtc s VAL 42 N 1.65 1.27 -0.16 5.18 1.01 -1.26 -5.12 120.40 122.98 2gtc s VAL 42 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2gtc s VAL 42 Cb 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 35.09 2gtc s VAL 42 CO 0.00 0.28 -0.10 -0.69 0.00 0.00 0.00 175.10 174.59 2gtc s VAL 43 N 1.59 1.40 0.97 2.92 1.01 -1.26 -5.13 120.40 121.90 2gtc s VAL 43 Ca 0.03 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2gtc s VAL 43 Cb -0.14 -1.42 0.19 0.00 0.00 0.00 0.00 36.38 35.01 2gtc s VAL 43 CO -0.09 0.31 1.26 -0.83 0.00 0.00 0.00 175.10 175.75 2gtc s GLY 44 N 1.54 1.71 0.21 4.51 0.00 -1.26 -4.80 107.32 109.22 2gtc s GLY 44 Ca 0.03 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.71 2gtc s GLY 44 CO -0.09 -0.30 1.54 -1.33 0.00 0.00 0.00 173.10 172.92 2gtc h GLY 45 N -1.69 0.54 1.16 0.20 0.00 -2.01 -0.55 103.07 100.74 2gtc h GLY 45 Ca -0.45 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.21 2gtc h GLY 45 CO 0.43 0.55 0.21 3.21 0.00 0.00 0.00 176.54 180.94 2gtc h ARG 46 N 0.39 1.05 0.00 4.80 3.08 -2.01 -3.27 114.38 118.42 2gtc h ARG 46 Ca 0.01 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.76 2gtc h ARG 46 Cb 1.04 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 2gtc h ARG 46 CO 0.09 0.90 -1.31 0.00 -1.07 0.00 0.00 179.97 178.59 2gtc n ALA 47 N -2.45 2.25 -2.49 0.04 0.00 -1.12 -4.91 120.51 111.82 2gtc n ALA 47 Ca 0.05 -0.43 -0.39 0.00 0.00 0.00 0.00 53.44 52.68 2gtc n ALA 47 Cb 0.23 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 2gtc n ALA 47 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2gtc s GLY 48 N -4.60 2.61 0.36 0.00 0.00 -0.23 -4.96 107.32 100.50 2gtc s GLY 48 Ca -0.02 0.04 0.27 0.00 0.00 0.00 0.00 44.72 45.01 2gtc s GLY 48 CO 0.81 0.78 1.81 1.48 0.00 0.00 0.00 173.10 177.98 2gtc h SER 49 N 5.68 0.00 -0.08 1.64 4.64 -1.88 -2.72 113.55 120.83 2gtc h SER 49 Ca -0.45 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.89 2gtc h SER 49 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2gtc h SER 49 CO 0.70 0.00 0.11 0.10 -0.87 0.00 0.00 176.83 176.87 2gtc h TYR 50 N 0.00 0.00 -0.05 4.77 -0.00 -1.93 -3.29 116.97 116.48 2gtc h TYR 50 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.69 2gtc h TYR 50 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.15 2gtc h TYR 50 CO 0.00 0.00 -0.11 1.49 -0.00 0.00 0.00 178.16 179.54 2gtc h GLU 51 N 0.00 0.16 -0.88 0.10 4.22 -1.73 -1.40 114.58 115.05 2gtc h GLU 51 Ca 0.04 -0.11 0.16 0.00 0.08 0.00 0.00 59.36 59.53 2gtc h GLU 51 Cb 0.27 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 2gtc h GLU 51 CO -0.00 0.71 0.57 0.66 -2.18 0.00 0.00 179.01 178.77 2gtc h SER 52 N -0.36 0.58 0.02 1.04 4.64 -1.79 0.76 113.55 118.45 2gtc h SER 52 Ca -0.00 0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.26 2gtc h SER 52 Cb 0.71 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2gtc h SER 52 CO 0.02 0.28 -0.41 0.11 -0.87 0.00 0.00 176.83 175.96 2gtc h LYS 53 N 0.61 0.24 -0.29 4.77 1.79 -1.72 0.13 116.57 122.09 2gtc h LYS 53 Ca 0.45 -0.29 0.03 0.00 -2.18 0.00 0.00 60.65 58.66 2gtc h LYS 53 Cb 0.84 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 2gtc h LYS 53 CO -0.20 1.03 0.10 1.25 -1.08 0.00 0.00 179.45 180.55 2gtc h LEU 54 N -0.43 0.10 -0.62 2.94 5.85 -0.19 0.21 115.31 123.18 2gtc h LEU 54 Ca -0.06 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2gtc h LEU 54 Cb 1.20 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 2gtc h LEU 54 CO 0.08 0.09 0.35 0.50 -0.34 0.00 0.00 178.44 179.12 2gtc h LYS 55 N 0.23 0.86 0.08 1.25 3.64 0.42 0.90 116.57 123.94 2gtc h LYS 55 Ca 0.13 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2gtc h LYS 55 Cb 0.10 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 2gtc h LYS 55 CO -0.14 0.64 -0.28 1.49 -2.27 0.00 0.00 179.45 178.90 2gtc h GLU 56 N 0.84 -0.45 -0.30 1.90 4.81 -0.25 0.20 114.58 121.33 2gtc h GLU 56 Ca 0.22 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.53 2gtc h GLU 56 Cb 0.03 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 2gtc h GLU 56 CO -0.04 -0.30 -0.01 0.00 -0.73 0.00 0.00 179.01 177.93 2gtc h ALA 57 N 0.27 0.26 -0.77 2.92 0.00 -0.42 0.32 119.26 121.84 2gtc h ALA 57 Ca 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2gtc h ALA 57 Cb 0.52 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2gtc h ALA 57 CO -0.19 -0.42 0.39 -0.09 0.00 0.00 0.00 179.25 178.94 2gtc h ARG 58 N 0.08 1.08 -0.36 0.00 2.43 -0.63 -1.15 114.38 115.82 2gtc h ARG 58 Ca 0.14 -0.14 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 2gtc h ARG 58 Cb 0.19 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2gtc h ARG 58 CO -0.25 0.82 -0.39 -0.44 -1.51 0.00 0.00 179.97 178.19 2gtc h ASP 59 N 1.08 0.94 -0.59 -3.80 3.32 -0.22 -2.87 116.42 114.28 2gtc h ASP 59 Ca 0.27 -0.43 0.07 0.00 0.02 0.00 0.00 57.03 56.96 2gtc h ASP 59 Cb 0.08 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.30 2gtc h ASP 59 CO -0.04 1.21 0.28 0.40 -1.72 0.00 0.00 179.24 179.37 2gtc h ILE 60 N 0.72 0.88 0.00 0.35 2.04 -0.61 -0.49 117.51 120.40 2gtc h ILE 60 Ca 0.06 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2gtc h ILE 60 Cb 0.98 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2gtc h ILE 60 CO 0.09 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.34 2gtc n ALA 61 N -2.39 1.30 0.00 1.87 0.00 -0.47 -1.33 120.51 119.49 2gtc n ALA 61 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2gtc n ALA 61 Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2gtc n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gtc n ASP 63 N 0.30 0.00 -0.57 0.00 8.00 -0.19 -4.06 116.55 120.03 2gtc n ASP 63 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2gtc n ASP 63 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 2gtc n ASP 63 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2gtc n GLU 64 N 0.00 0.16 0.00 -1.24 2.13 -0.44 -1.58 120.64 119.66 2gtc n GLU 64 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2gtc n GLU 64 Cb 0.00 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.59 2gtc n GLU 64 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2gtc n LYS 66 N 0.49 0.00 -0.31 5.31 5.02 -1.26 -2.13 118.16 125.27 2gtc n LYS 66 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 2gtc n LYS 66 Cb 0.04 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.13 2gtc n LYS 66 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2gtc h GLU 67 N 0.00 1.23 -0.20 1.97 4.57 -1.71 0.12 114.58 120.56 2gtc h GLU 67 Ca 0.00 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 57.93 2gtc h GLU 67 Cb 0.00 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 2gtc h GLU 67 CO 0.00 0.94 -0.18 1.25 -1.18 0.00 0.00 179.01 179.84 2gtc h LEU 68 N 1.21 0.32 -0.37 1.64 5.85 -1.68 0.17 115.31 122.45 2gtc h LEU 68 Ca 0.29 -0.08 -0.19 0.00 0.84 0.00 0.00 57.88 58.74 2gtc h LEU 68 Cb 0.12 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2gtc h LEU 68 CO -0.04 0.53 -0.78 0.00 -0.34 0.00 0.00 178.44 177.81 2gtc h ALA 69 N 1.51 0.57 -0.07 1.25 0.00 -1.74 -3.01 119.26 117.77 2gtc h ALA 69 Ca 0.06 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 2gtc h ALA 69 Cb 0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2gtc h ALA 69 CO 0.03 0.79 0.03 -0.22 0.00 0.00 0.00 179.25 179.89 2gtc h LYS 70 N 0.23 0.10 -0.81 0.00 3.64 -0.14 -1.53 116.57 118.06 2gtc h LYS 70 Ca -0.04 -0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.52 2gtc h LYS 70 Cb 1.36 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 33.03 2gtc h LYS 70 CO 0.13 0.19 0.04 1.96 -2.27 0.00 0.00 179.45 179.50 2gtc h GLN 71 N -0.02 0.11 0.00 1.90 1.08 -0.69 0.91 115.11 118.40 2gtc h GLN 71 Ca 0.02 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2gtc h GLN 71 Cb 0.13 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2gtc h GLN 71 CO -0.00 0.07 0.00 1.63 -0.95 0.00 0.00 178.83 179.58 2gtc n LYS 72 N -5.35 0.94 -0.96 1.46 5.02 -1.07 -4.88 118.16 113.32 2gtc n LYS 72 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2gtc n LYS 72 Cb 0.54 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 2gtc n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gtc n GLY 73 N 0.81 0.55 3.77 0.72 0.00 0.31 -5.03 105.19 106.33 2gtc n GLY 73 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2gtc n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gtc s ALA 74 N -2.15 2.48 -0.03 4.61 0.00 -0.60 -4.91 121.76 121.16 2gtc s ALA 74 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 51.96 52.53 2gtc s ALA 74 Cb 0.00 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.88 2gtc s ALA 74 CO 0.00 -1.27 0.94 0.27 0.00 0.00 0.00 175.76 175.71 2gtc n ASN 75 N -2.44 1.52 -3.67 0.00 0.23 -0.42 -4.45 115.26 106.03 2gtc n ASN 75 Ca 0.10 -2.08 -0.15 0.00 -0.53 0.00 0.00 54.58 51.92 2gtc n ASN 75 Cb 0.52 -0.12 -0.08 0.00 -2.08 0.00 0.00 39.78 38.02 2gtc n ASN 75 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2gtc s ALA 76 N -1.18 -1.20 -0.15 -2.53 0.00 -0.35 -4.13 121.76 112.23 2gtc s ALA 76 Ca 0.08 0.89 0.01 0.00 0.00 0.00 0.00 51.96 52.94 2gtc s ALA 76 Cb 0.07 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2gtc s ALA 76 CO 0.01 -0.29 -0.18 0.42 0.00 0.00 0.00 175.76 175.72 2gtc s ILE 77 N -0.90 1.80 0.33 0.00 1.01 0.99 -0.58 121.20 123.85 2gtc s ILE 77 Ca -0.09 -0.80 0.09 0.00 0.00 0.00 0.00 60.65 59.85 2gtc s ILE 77 Cb -0.03 -1.64 -0.06 0.00 0.01 0.00 0.00 42.46 40.74 2gtc s ILE 77 CO 0.05 0.50 -0.10 0.68 0.00 0.00 0.00 174.94 176.07 2gtc s VAL 78 N 1.17 2.20 -1.34 2.92 -7.23 -0.64 -0.47 120.40 117.01 2gtc s VAL 78 Ca -0.00 -2.22 -0.06 0.00 -1.81 0.00 0.00 61.98 57.89 2gtc s VAL 78 Cb -0.14 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.24 2gtc s VAL 78 CO -0.07 -0.24 1.01 0.61 -0.31 0.00 0.00 175.10 176.10 2gtc n GLY 79 N -0.74 -0.44 3.75 2.32 0.00 0.44 0.06 105.19 110.57 2gtc n GLY 79 Ca -0.05 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2gtc n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gtc s VAL 80 N -3.39 4.02 -0.02 1.61 1.01 -0.60 -4.36 120.40 118.66 2gtc s VAL 80 Ca 0.33 1.99 0.03 0.00 0.00 0.00 0.00 61.98 64.33 2gtc s VAL 80 Cb -0.15 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 2gtc s VAL 80 CO 0.76 0.46 -0.10 -0.62 0.00 0.00 0.00 175.10 175.60 2gtc s ASP 81 N -1.01 1.25 -0.18 3.32 -1.08 -0.38 -4.31 116.67 114.27 2gtc s ASP 81 Ca 0.42 -0.19 -0.04 0.00 -0.52 0.00 0.00 52.55 52.22 2gtc s ASP 81 Cb -0.27 -0.28 -0.02 0.00 -1.46 0.00 0.00 42.92 40.89 2gtc s ASP 81 CO 0.33 0.09 -0.04 -0.69 0.52 0.00 0.00 175.17 175.38 2gtc s VAL 82 N 0.07 3.66 0.09 1.11 1.01 -1.26 -1.81 120.40 123.27 2gtc s VAL 82 Ca -0.01 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2gtc s VAL 82 Cb -0.07 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 2gtc s VAL 82 CO 0.00 0.46 -0.19 -0.62 0.00 0.00 0.00 175.10 174.75 2gtc s ASP 83 N 0.82 2.29 -0.04 3.32 2.15 -0.03 -5.02 116.67 120.17 2gtc s ASP 83 Ca -0.01 -0.67 0.04 0.00 0.43 0.00 0.00 52.55 52.34 2gtc s ASP 83 Cb -0.15 -0.11 -0.00 0.00 -0.30 0.00 0.00 42.92 42.36 2gtc s ASP 83 CO 0.02 0.02 -0.15 -0.31 -0.17 0.00 0.00 175.17 174.57 2gtc s TYR 84 N -1.20 1.54 -0.01 -5.34 1.51 -1.26 -0.97 117.35 111.62 2gtc s TYR 84 Ca 0.04 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 2gtc s TYR 84 Cb -0.10 -1.05 0.01 0.00 -0.11 0.00 0.00 41.96 40.72 2gtc s TYR 84 CO 0.04 -0.15 0.00 -1.21 -1.11 0.00 0.00 175.55 173.12 2gtc s GLU 85 N 0.08 0.06 -0.55 -0.62 0.41 -1.26 -5.01 118.70 111.80 2gtc s GLU 85 Ca -0.04 0.05 -0.28 0.00 -0.41 0.00 0.00 54.97 54.29 2gtc s GLU 85 Cb -0.11 -0.16 0.02 0.00 -1.78 0.00 0.00 34.13 32.10 2gtc s GLU 85 CO 0.02 -0.06 1.33 0.08 -0.49 0.00 0.00 175.26 176.14 2gtc s VAL 86 N 0.43 3.89 -0.13 2.63 1.01 -1.26 -4.40 120.40 122.57 2gtc s VAL 86 Ca -0.04 0.79 0.13 0.00 0.00 0.00 0.00 61.98 62.86 2gtc s VAL 86 Cb -0.06 -4.53 -0.24 0.00 0.00 0.00 0.00 36.38 31.56 2gtc s VAL 86 CO -0.01 -1.20 0.33 0.52 0.00 0.00 0.00 175.10 174.74 2gtc n VAL 87 N 6.81 1.52 -4.11 2.92 0.31 -1.26 -4.93 118.33 119.60 2gtc n VAL 87 Ca 0.11 -0.80 -0.08 0.00 -0.01 0.00 0.00 64.34 63.57 2gtc n VAL 87 Cb 0.49 -0.86 -0.10 0.00 -0.91 0.00 0.00 33.84 32.46 2gtc n VAL 87 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2gtc s ARG 88 N -2.54 0.65 -0.93 5.55 3.52 -1.26 -5.07 118.95 118.86 2gtc s ARG 88 Ca -0.10 -1.24 -0.30 0.00 -0.13 0.00 0.00 55.73 53.96 2gtc s ARG 88 Cb 0.07 0.13 -0.20 0.00 -1.56 0.00 0.00 34.95 33.39 2gtc s ARG 88 CO 0.81 -0.09 2.65 -3.47 -0.81 0.00 0.00 175.30 174.39 2gtc n ASP 89 N 0.08 0.53 -0.23 -2.12 4.64 -1.26 -4.76 116.55 113.44 2gtc n ASP 89 Ca -0.14 0.07 0.00 0.00 -1.38 0.00 0.00 54.79 53.34 2gtc n ASP 89 Cb 0.61 -1.00 0.00 0.00 -1.04 0.00 0.00 41.12 39.69 2gtc n ASP 89 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2gtc n GLY 90 N 6.42 0.63 3.12 0.27 0.00 -1.26 -4.88 105.19 109.48 2gtc n GLY 90 Ca 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.48 2gtc n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gtc n LEU 92 N -0.23 0.00 -3.66 0.99 7.94 -1.26 -3.89 117.00 116.89 2gtc n LEU 92 Ca 0.00 -1.01 -0.06 0.00 -1.11 0.00 0.00 56.01 53.84 2gtc n LEU 92 Cb 0.13 2.11 -0.07 0.00 0.53 0.00 0.00 43.42 46.12 2gtc n LEU 92 CO 0.00 -0.34 0.13 0.54 -1.11 0.00 0.00 177.39 176.62 2gtc s VAL 94 N -2.13 -0.70 -0.12 1.96 0.11 -0.47 -4.43 120.40 114.61 2gtc s VAL 94 Ca 0.20 0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.36 2gtc s VAL 94 Cb -0.02 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 2gtc s VAL 94 CO 0.03 0.04 -0.21 0.00 -3.33 0.00 0.00 175.10 171.63 2gtc s ALA 95 N 2.59 2.29 0.03 1.54 0.00 -0.14 -1.67 121.76 126.40 2gtc s ALA 95 Ca -0.04 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 50.97 2gtc s ALA 95 Cb -0.11 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 2gtc s ALA 95 CO -0.15 0.17 -0.12 0.14 0.00 0.00 0.00 175.76 175.79 2gtc s VAL 96 N 0.52 3.21 0.10 0.00 -7.23 0.50 -0.85 120.40 116.64 2gtc s VAL 96 Ca -0.13 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 2gtc s VAL 96 Cb -0.17 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2gtc s VAL 96 CO 0.05 0.34 0.03 -0.94 -0.31 0.00 0.00 175.10 174.26 2gtc s SER 97 N -1.51 0.37 -0.08 4.85 1.04 -0.75 -1.52 113.70 116.10 2gtc s SER 97 Ca 0.16 -1.10 -0.26 0.00 0.48 0.00 0.00 55.95 55.24 2gtc s SER 97 Cb -0.11 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.35 2gtc s SER 97 CO 0.07 -0.68 1.14 0.61 0.98 0.00 0.00 173.24 175.37 2gtc n GLY 98 N -0.01 0.13 3.20 7.32 0.00 -0.56 -1.25 105.19 114.02 2gtc n GLY 98 Ca -0.09 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 2gtc n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gtc s THR 99 N -2.00 3.04 0.03 2.61 2.01 0.11 -0.77 115.64 120.66 2gtc s THR 99 Ca 0.27 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 2gtc s THR 99 Cb -0.00 -2.66 -0.07 0.00 0.01 0.00 0.00 72.50 69.78 2gtc s THR 99 CO -0.02 0.02 1.57 0.00 -0.69 0.00 0.00 174.62 175.49 2gtc s ALA 100 N 1.30 3.64 0.01 7.40 0.00 0.38 -1.62 121.76 132.87 2gtc s ALA 100 Ca -0.03 1.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 2gtc s ALA 100 Cb -0.18 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.26 2gtc s ALA 100 CO -0.02 -1.08 0.08 0.08 0.00 0.00 0.00 175.76 174.82 2gtc s VAL 101 N 2.74 0.09 -0.28 0.00 1.01 0.25 -0.64 120.40 123.57 2gtc s VAL 101 Ca 0.71 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 2gtc s VAL 101 Cb -0.36 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 2gtc s VAL 101 CO 0.30 -0.41 0.07 -0.60 0.00 0.00 0.00 175.10 174.47 2gtc s ARG 102 N -1.35 3.25 0.00 2.72 3.52 -0.25 -1.21 118.95 125.62 2gtc s ARG 102 Ca -0.15 -0.75 0.27 0.00 -0.13 0.00 0.00 55.73 54.97 2gtc s ARG 102 Cb -0.08 -3.35 0.76 0.00 -1.56 0.00 0.00 34.95 30.72 2gtc s ARG 102 CO 0.01 -0.37 1.58 0.44 -0.81 0.00 0.00 175.30 176.15