#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1t s SER 2 N 0.00 3.79 0.11 -0.67 1.04 -0.91 -0.27 113.70 116.79 1g1t s SER 2 Ca 0.00 -0.94 0.08 0.00 0.48 0.00 0.00 55.95 55.57 1g1t s SER 2 Cb 0.00 -0.42 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 1g1t s SER 2 CO 0.00 0.04 -0.13 -0.31 0.98 0.00 0.00 173.24 173.82 1g1t s TYR 3 N -2.42 2.67 0.06 5.02 2.02 -1.26 -0.78 117.35 122.65 1g1t s TYR 3 Ca 0.30 -0.19 -0.10 0.00 -0.37 0.00 0.00 57.07 56.70 1g1t s TYR 3 Cb -0.05 -1.40 0.01 0.00 -0.40 0.00 0.00 41.96 40.11 1g1t s TYR 3 CO 0.16 0.41 0.22 -0.80 -1.57 0.00 0.00 175.55 173.97 1g1t s ASN 4 N -2.17 0.03 0.12 2.29 -0.87 -0.73 -4.98 114.94 108.63 1g1t s ASN 4 Ca 0.20 -0.43 0.03 0.00 -1.57 0.00 0.00 52.86 51.08 1g1t s ASN 4 Cb -0.11 0.32 -0.04 0.00 -0.02 0.00 0.00 41.25 41.40 1g1t s ASN 4 CO 0.12 -0.63 -0.07 0.42 -2.57 0.00 0.00 177.10 174.37 1g1t s THR 5 N -3.04 0.86 0.57 1.60 -4.23 -1.26 0.19 115.64 110.33 1g1t s THR 5 Ca -0.01 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1g1t s THR 5 Cb 0.01 -1.78 0.01 0.00 1.34 0.00 0.00 72.50 72.08 1g1t s THR 5 CO -0.06 -0.79 0.86 -0.94 -0.54 0.00 0.00 174.62 173.15 1g1t s SER 6 N -3.10 5.53 -0.18 3.99 1.04 -0.63 -4.97 113.70 115.37 1g1t s SER 6 Ca 0.15 0.56 0.08 0.00 0.48 0.00 0.00 55.95 57.21 1g1t s SER 6 Cb 0.04 -1.55 -0.22 0.00 0.10 0.00 0.00 66.02 64.39 1g1t s SER 6 CO -0.02 -1.06 0.13 0.41 0.98 0.00 0.00 173.24 173.68 1g1t n THR 7 N -2.51 1.53 -3.61 2.02 -1.04 -1.26 -4.64 114.28 104.76 1g1t n THR 7 Ca 0.05 -0.72 -0.33 0.00 -2.04 0.00 0.00 64.05 61.01 1g1t n THR 7 Cb 0.58 -1.08 -0.05 0.00 -1.82 0.00 0.00 70.33 67.96 1g1t n THR 7 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1g1t s GLU 8 N -2.53 3.68 0.19 -2.82 0.41 -1.26 -5.02 118.70 111.35 1g1t s GLU 8 Ca -0.19 0.04 -0.26 0.00 -0.41 0.00 0.00 54.97 54.15 1g1t s GLU 8 Cb 0.07 -2.87 -0.08 0.00 -1.78 0.00 0.00 34.13 29.47 1g1t s GLU 8 CO 0.75 0.48 0.81 0.00 -0.49 0.00 0.00 175.26 176.80 1g1t s ALA 9 N -1.59 3.41 0.24 5.21 0.00 -1.26 -4.48 121.76 123.29 1g1t s ALA 9 Ca 0.39 0.39 -0.08 0.00 0.00 0.00 0.00 51.96 52.66 1g1t s ALA 9 Cb -0.13 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 1g1t s ALA 9 CO 0.22 0.28 0.37 0.00 0.00 0.00 0.00 175.76 176.62 1g1t s MET 10 N -1.29 1.47 0.98 0.00 0.23 0.38 -4.67 119.30 116.39 1g1t s MET 10 Ca 0.38 -1.42 -0.12 0.00 -1.03 0.00 0.00 55.69 53.50 1g1t s MET 10 Cb -0.23 0.40 0.18 0.00 -1.53 0.00 0.00 34.83 33.66 1g1t s MET 10 CO 0.26 -0.58 1.09 0.95 -2.03 0.00 0.00 175.02 174.72 1g1t s THR 11 N -3.98 2.19 0.13 3.16 -4.23 -1.25 -0.79 115.64 110.86 1g1t s THR 11 Ca 0.28 0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 60.67 1g1t s THR 11 Cb 0.02 -2.54 -0.06 0.00 1.34 0.00 0.00 72.50 71.26 1g1t s THR 11 CO 0.11 -0.08 1.78 0.22 -0.54 0.00 0.00 174.62 176.11 1g1t h TYR 12 N -1.84 0.29 -0.99 3.99 5.03 -1.45 0.10 116.97 122.10 1g1t h TYR 12 Ca -0.54 0.01 0.07 0.00 2.58 0.00 0.00 58.73 60.85 1g1t h TYR 12 Cb 1.32 -0.10 -0.07 0.00 1.55 0.00 0.00 36.73 39.43 1g1t h TYR 12 CO 0.32 0.19 0.63 -0.44 -1.32 0.00 0.00 178.16 177.54 1g1t h ASP 13 N 0.31 1.01 -0.30 -2.11 3.32 -1.92 0.31 116.42 117.03 1g1t h ASP 13 Ca 0.08 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 1g1t h ASP 13 Cb -0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1g1t h ASP 13 CO -0.02 0.63 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.49 1g1t h GLU 14 N 1.14 0.83 -0.53 3.56 5.08 -1.82 -1.88 114.58 120.96 1g1t h GLU 14 Ca 0.43 -0.39 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 1g1t h GLU 14 Cb 0.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1g1t h GLU 14 CO -0.18 1.02 -0.13 0.00 -1.00 0.00 0.00 179.01 178.72 1g1t h ALA 15 N 0.94 0.77 -0.38 3.43 0.00 0.13 0.20 119.26 124.36 1g1t h ALA 15 Ca 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1g1t h ALA 15 Cb 0.87 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1g1t h ALA 15 CO 0.08 0.67 0.20 1.03 0.00 0.00 0.00 179.25 181.22 1g1t h SER 16 N 0.89 0.49 -0.61 0.00 0.87 -0.31 -1.67 113.55 113.21 1g1t h SER 16 Ca 0.13 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 1g1t h SER 16 Cb 0.70 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1g1t h SER 16 CO 0.05 0.46 0.12 0.00 -0.53 0.00 0.00 176.83 176.93 1g1t h ALA 17 N 1.05 0.80 -0.11 6.23 0.00 -1.15 -2.29 119.26 123.79 1g1t h ALA 17 Ca 0.13 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1g1t h ALA 17 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1g1t h ALA 17 CO -0.02 0.54 0.00 -0.92 0.00 0.00 0.00 179.25 178.85 1g1t h TYR 18 N 0.90 -0.00 -0.55 0.00 5.03 -0.69 -1.07 116.97 120.58 1g1t h TYR 18 Ca 0.19 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.41 1g1t h TYR 18 Cb 0.39 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 1g1t h TYR 18 CO 0.03 -0.01 -0.02 0.00 -1.32 0.00 0.00 178.16 176.83 1g1t h GLN 20 N 0.88 0.24 -0.13 0.00 4.20 -1.25 0.30 115.11 119.35 1g1t h GLN 20 Ca 0.16 -0.16 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1g1t h GLN 20 Cb 0.55 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.36 1g1t h GLN 20 CO 0.03 0.76 -0.56 0.37 -0.67 0.00 0.00 178.83 178.75 1g1t h GLN 21 N 0.18 0.62 0.09 1.46 -0.00 -1.09 -3.38 115.11 112.99 1g1t h GLN 21 Ca -0.00 -0.49 -0.37 0.00 -0.00 0.00 0.00 58.65 57.79 1g1t h GLN 21 Cb 1.08 0.10 -0.03 0.00 0.00 0.00 0.00 27.48 28.62 1g1t h GLN 21 CO 0.09 1.11 -2.13 0.54 0.00 0.00 0.00 178.83 178.44 1g1t n ARG 22 N -4.15 0.73 0.00 1.69 1.74 -0.87 -5.03 116.66 110.77 1g1t n ARG 22 Ca -0.07 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1g1t n ARG 22 Cb 0.63 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1g1t n ARG 22 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1g1t n TYR 23 N -3.41 0.00 -0.09 -1.55 4.01 0.11 -5.09 117.16 111.14 1g1t n TYR 23 Ca -0.35 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.27 1g1t n TYR 23 Cb 1.03 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 40.02 1g1t n TYR 23 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1g1t n THR 24 N 0.00 1.47 -3.92 -0.72 -1.04 -0.19 -4.51 114.28 105.37 1g1t n THR 24 Ca 0.00 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1g1t n THR 24 Cb 0.00 -2.27 0.01 0.00 -1.82 0.00 0.00 70.33 66.26 1g1t n THR 24 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1g1t n HIS 25 N -4.51 -0.69 -2.05 -1.42 -0.00 -1.14 -4.11 115.22 101.30 1g1t n HIS 25 Ca -0.18 -0.78 -0.37 0.00 0.46 0.00 0.00 57.72 56.85 1g1t n HIS 25 Cb 0.47 0.37 0.02 0.00 -0.12 0.00 0.00 29.99 30.73 1g1t n HIS 25 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1g1t s LEU 26 N 0.00 3.79 0.35 0.27 1.43 -1.26 -1.37 118.68 121.88 1g1t s LEU 26 Ca 0.23 2.42 -0.27 0.00 -1.03 0.00 0.00 54.13 55.48 1g1t s LEU 26 Cb -0.01 -4.45 -0.12 0.00 0.03 0.00 0.00 46.19 41.63 1g1t s LEU 26 CO 0.02 -1.40 1.15 0.55 0.23 0.00 0.00 176.35 176.90 1g1t n VAL 27 N -1.20 2.11 -4.88 -1.59 3.14 0.37 -4.13 118.33 112.16 1g1t n VAL 27 Ca 0.11 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.67 1g1t n VAL 27 Cb 0.48 -1.32 -0.13 0.00 -1.06 0.00 0.00 33.84 31.81 1g1t n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1g1t s ALA 28 N -1.12 2.66 -0.11 1.55 0.00 -1.26 -0.69 121.76 122.78 1g1t s ALA 28 Ca 0.58 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.57 1g1t s ALA 28 Cb -0.60 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1g1t s ALA 28 CO 0.60 0.56 -0.18 0.42 0.00 0.00 0.00 175.76 177.17 1g1t s ILE 29 N -0.75 2.65 -0.09 0.00 1.01 -1.26 -5.02 121.20 117.75 1g1t s ILE 29 Ca 0.12 -0.81 0.16 0.00 0.00 0.00 0.00 60.65 60.12 1g1t s ILE 29 Cb -0.11 -2.07 -0.24 0.00 0.01 0.00 0.00 42.46 40.05 1g1t s ILE 29 CO 0.01 0.54 0.23 0.00 0.00 0.00 0.00 174.94 175.72 1g1t n GLN 30 N 3.42 0.91 -3.83 2.79 6.02 -1.26 -4.82 117.38 120.61 1g1t n GLN 30 Ca -0.18 -0.09 -0.07 0.00 -0.01 0.00 0.00 57.00 56.65 1g1t n GLN 30 Cb 0.53 -1.42 0.02 0.00 1.02 0.00 0.00 30.24 30.38 1g1t n GLN 30 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1g1t s ASN 31 N -4.50 -0.04 0.37 1.08 2.20 -1.26 -4.02 114.94 108.78 1g1t s ASN 31 Ca -0.07 -0.94 0.19 0.00 -0.94 0.00 0.00 52.86 51.09 1g1t s ASN 31 Cb 0.08 0.74 0.65 0.00 -2.00 0.00 0.00 41.25 40.72 1g1t s ASN 31 CO 0.70 -1.46 1.72 0.11 -2.94 0.00 0.00 177.10 175.23 1g1t h LYS 32 N 2.00 0.00 -0.66 3.55 1.79 -1.87 -3.04 116.57 118.33 1g1t h LYS 32 Ca -0.29 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.13 1g1t h LYS 32 Cb 1.24 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.86 1g1t h LYS 32 CO 0.37 0.38 0.21 0.93 -1.08 0.00 0.00 179.45 180.26 1g1t h GLU 33 N 0.00 1.01 -0.33 3.15 3.07 -1.96 -0.42 114.58 119.10 1g1t h GLU 33 Ca -0.00 -0.20 -0.11 0.00 -0.50 0.00 0.00 59.36 58.54 1g1t h GLU 33 Cb 0.92 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.67 1g1t h GLU 33 CO 0.05 0.87 -0.26 0.93 -1.40 0.00 0.00 179.01 179.19 1g1t h GLU 34 N 0.98 0.67 -0.42 2.33 5.08 -1.95 -1.48 114.58 119.79 1g1t h GLU 34 Ca 0.22 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1g1t h GLU 34 Cb 0.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1g1t h GLU 34 CO -0.01 0.86 -0.05 0.82 -1.00 0.00 0.00 179.01 179.64 1g1t h ILE 35 N 0.58 1.27 -0.77 3.13 2.04 -1.40 -0.43 117.51 121.93 1g1t h ILE 35 Ca 0.08 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 1g1t h ILE 35 Cb 0.75 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1g1t h ILE 35 CO 0.06 0.38 0.32 -0.08 0.00 0.00 0.00 178.15 178.83 1g1t h GLU 36 N 0.60 1.14 -0.03 2.37 4.81 -0.93 -0.25 114.58 122.30 1g1t h GLU 36 Ca 0.11 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1g1t h GLU 36 Cb 0.55 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1g1t h GLU 36 CO 0.03 0.92 0.01 -0.92 -0.73 0.00 0.00 179.01 178.32 1g1t h TYR 37 N 1.11 0.05 -0.78 0.92 3.20 -1.07 -2.56 116.97 117.84 1g1t h TYR 37 Ca 0.26 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 1g1t h TYR 37 Cb 0.19 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 1g1t h TYR 37 CO 0.02 0.25 0.38 -0.07 -1.64 0.00 0.00 178.16 177.10 1g1t h LEU 38 N -0.16 1.00 -1.74 2.82 3.38 -0.89 -0.41 115.31 119.30 1g1t h LEU 38 Ca 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1g1t h LEU 38 Cb 0.23 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1g1t h LEU 38 CO -0.00 0.84 -0.11 -1.13 0.09 0.00 0.00 178.44 178.12 1g1t h ASN 39 N 1.10 0.00 0.00 -0.43 -1.24 -0.95 -1.60 115.58 112.46 1g1t h ASN 39 Ca 0.27 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.12 1g1t h ASN 39 Cb 0.10 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 1g1t h ASN 39 CO -0.04 0.11 -0.89 0.28 -1.29 0.00 0.00 177.43 175.61 1g1t h SER 40 N 0.00 0.00 -0.33 1.15 0.02 -0.96 -3.42 113.55 110.02 1g1t h SER 40 Ca -0.00 -0.59 -0.15 0.00 -0.84 0.00 0.00 61.79 60.21 1g1t h SER 40 Cb 0.44 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1g1t h SER 40 CO 0.01 1.31 -0.37 -0.29 -1.14 0.00 0.00 176.83 176.36 1g1t h ILE 41 N -1.00 1.29 -3.64 3.27 6.09 -1.07 -3.45 117.51 119.00 1g1t h ILE 41 Ca -0.24 -1.54 -0.51 0.00 -1.37 0.00 0.00 64.86 61.19 1g1t h ILE 41 Cb 1.16 1.52 0.02 0.00 0.47 0.00 0.00 36.82 39.99 1g1t h ILE 41 CO -0.14 0.50 0.53 -0.76 -3.07 0.00 0.00 178.15 175.21 1g1t s LEU 42 N -8.89 4.49 0.49 2.19 1.43 -0.61 -5.01 118.68 112.76 1g1t s LEU 42 Ca -0.12 2.28 -0.21 0.00 -1.03 0.00 0.00 54.13 55.05 1g1t s LEU 42 Cb 0.10 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.63 1g1t s LEU 42 CO 0.86 -0.30 1.13 -0.44 0.23 0.00 0.00 176.35 177.83 1g1t s SER 43 N -0.30 6.09 0.31 2.29 0.01 -1.26 -4.90 113.70 115.95 1g1t s SER 43 Ca 0.49 2.19 -0.29 0.00 1.31 0.00 0.00 55.95 59.65 1g1t s SER 43 Cb -0.33 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.21 1g1t s SER 43 CO 0.40 -0.96 1.30 -0.47 0.41 0.00 0.00 173.24 173.91 1g1t s TYR 44 N -1.69 3.11 -0.03 2.43 5.04 -1.26 -4.98 117.35 119.97 1g1t s TYR 44 Ca 0.67 1.40 -0.01 0.00 -2.44 0.00 0.00 57.07 56.69 1g1t s TYR 44 Cb -0.25 -3.64 0.03 0.00 0.35 0.00 0.00 41.96 38.45 1g1t s TYR 44 CO 0.29 -1.78 0.04 0.45 -1.34 0.00 0.00 175.55 173.21 1g1t s SER 45 N -0.41 0.46 0.13 4.32 0.15 -1.26 -5.01 113.70 112.08 1g1t s SER 45 Ca 0.50 0.04 0.12 0.00 0.70 0.00 0.00 55.95 57.31 1g1t s SER 45 Cb -0.39 -0.11 0.59 0.00 -1.71 0.00 0.00 66.02 64.39 1g1t s SER 45 CO 0.50 -0.16 1.38 -0.81 1.20 0.00 0.00 173.24 175.34 1g1t n PRO 46 N 4.54 0.07 0.04 5.44 -0.04 -1.26 -0.69 135.00 143.10 1g1t n PRO 46 Ca -0.20 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 1g1t n PRO 46 Cb 0.50 -1.68 0.11 0.00 -0.04 0.00 0.00 33.50 32.39 1g1t n PRO 46 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1g1t n SER 47 N -1.81 0.65 -0.80 3.54 7.64 -1.26 -5.07 113.62 116.51 1g1t n SER 47 Ca 0.01 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1g1t n SER 47 Cb 0.08 0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1g1t n SER 47 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1g1t n TYR 48 N -2.00 -1.79 -4.45 1.43 4.01 0.13 -4.49 117.16 110.00 1g1t n TYR 48 Ca 0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.54 1g1t n TYR 48 Cb 0.43 0.24 -0.13 0.00 -0.31 0.00 0.00 39.34 39.57 1g1t n TYR 48 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1g1t s TYR 49 N 0.00 1.49 0.13 -0.72 1.51 -1.23 -1.52 117.35 117.01 1g1t s TYR 49 Ca 0.00 -0.37 -0.26 0.00 -1.01 0.00 0.00 57.07 55.43 1g1t s TYR 49 Cb 0.00 -0.88 -0.07 0.00 -0.11 0.00 0.00 41.96 40.90 1g1t s TYR 49 CO 0.00 0.07 0.79 -1.58 -1.11 0.00 0.00 175.55 173.72 1g1t s TRP 50 N -0.87 3.85 0.28 2.71 0.23 0.34 -1.01 118.94 124.48 1g1t s TRP 50 Ca 0.04 1.61 0.09 0.00 -2.03 0.00 0.00 56.10 55.81 1g1t s TRP 50 Cb -0.08 -2.81 -0.04 0.00 0.03 0.00 0.00 33.47 30.56 1g1t s TRP 50 CO 0.02 0.42 0.04 0.96 0.96 0.00 0.00 176.95 179.35 1g1t s ILE 51 N -0.73 3.41 -1.29 2.03 -4.36 -0.46 -3.14 121.20 116.65 1g1t s ILE 51 Ca 0.38 -1.83 -0.12 0.00 -0.26 0.00 0.00 60.65 58.81 1g1t s ILE 51 Cb -0.22 -2.92 0.14 0.00 1.25 0.00 0.00 42.46 40.71 1g1t s ILE 51 CO 0.26 -0.32 1.78 0.61 0.24 0.00 0.00 174.94 177.51 1g1t n GLY 52 N -0.98 4.07 3.09 6.27 0.00 0.13 -4.58 105.19 113.20 1g1t n GLY 52 Ca -0.06 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 1g1t n GLY 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1g1t s ILE 53 N 1.56 0.03 0.05 -0.61 2.07 -1.26 -1.26 121.20 121.77 1g1t s ILE 53 Ca 0.43 -0.21 -0.01 0.00 -1.41 0.00 0.00 60.65 59.45 1g1t s ILE 53 Cb 0.06 -0.33 -0.04 0.00 0.13 0.00 0.00 42.46 42.29 1g1t s ILE 53 CO -0.00 -0.12 -0.02 -0.13 -1.91 0.00 0.00 174.94 172.76 1g1t s ARG 54 N -0.37 0.58 -0.42 3.50 1.81 -0.74 -4.33 118.95 118.98 1g1t s ARG 54 Ca -0.05 -1.13 -0.16 0.00 -1.72 0.00 0.00 55.73 52.67 1g1t s ARG 54 Cb -0.03 0.20 0.02 0.00 -0.45 0.00 0.00 34.95 34.69 1g1t s ARG 54 CO 0.01 -0.11 0.34 0.21 -0.68 0.00 0.00 175.30 175.07 1g1t s LYS 55 N -3.61 3.00 -0.25 3.54 2.20 -1.25 -0.84 119.74 122.53 1g1t s LYS 55 Ca 0.04 -0.97 -0.04 0.00 -0.36 0.00 0.00 55.97 54.64 1g1t s LYS 55 Cb 0.06 -3.99 0.01 0.00 -1.51 0.00 0.00 37.83 32.40 1g1t s LYS 55 CO -0.09 -0.80 -0.01 0.08 -0.36 0.00 0.00 175.35 174.17 1g1t s VAL 56 N 1.80 3.37 -1.43 4.02 1.01 0.23 -4.55 120.40 124.86 1g1t s VAL 56 Ca 0.07 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 1g1t s VAL 56 Cb -0.19 -2.65 0.05 0.00 0.00 0.00 0.00 36.38 33.58 1g1t s VAL 56 CO 0.11 0.25 0.93 -3.20 0.00 0.00 0.00 175.10 173.18 1g1t n ASN 57 N 4.77 -3.80 -0.49 3.32 4.05 -1.26 -1.40 115.26 120.45 1g1t n ASN 57 Ca -0.17 -0.75 -0.06 0.00 0.45 0.00 0.00 54.58 54.05 1g1t n ASN 57 Cb 0.49 -4.16 -0.03 0.00 1.23 0.00 0.00 39.78 37.31 1g1t n ASN 57 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1g1t n ASN 58 N -2.94 -4.87 -4.22 1.20 5.15 -1.26 -5.00 115.26 103.32 1g1t n ASN 58 Ca -0.08 0.16 -0.32 0.00 -0.60 0.00 0.00 54.58 53.73 1g1t n ASN 58 Cb 0.58 -2.93 -0.16 0.00 -0.53 0.00 0.00 39.78 36.73 1g1t n ASN 58 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1g1t s VAL 59 N -1.87 2.19 -0.04 3.44 1.01 -0.49 -5.09 120.40 119.55 1g1t s VAL 59 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1g1t s VAL 59 Cb 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1g1t s VAL 59 CO 0.00 0.55 1.17 0.26 0.00 0.00 0.00 175.10 177.08 1g1t s TRP 60 N 0.55 3.28 -0.04 5.22 0.52 -1.26 -0.60 118.94 126.62 1g1t s TRP 60 Ca -0.13 1.29 0.02 0.00 0.02 0.00 0.00 56.10 57.30 1g1t s TRP 60 Cb -0.17 -3.38 0.01 0.00 -1.15 0.00 0.00 33.47 28.78 1g1t s TRP 60 CO 0.04 -1.12 -0.09 0.08 0.02 0.00 0.00 176.95 175.88 1g1t s VAL 61 N 1.99 0.81 -0.06 4.03 1.01 -0.02 -0.29 120.40 127.87 1g1t s VAL 61 Ca 0.55 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1g1t s VAL 61 Cb -0.24 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1g1t s VAL 61 CO 0.23 0.26 1.29 0.26 0.00 0.00 0.00 175.10 177.14 1g1t s TRP 62 N 0.41 2.97 0.33 5.22 0.52 -0.34 -1.80 118.94 126.25 1g1t s TRP 62 Ca -0.07 1.01 0.09 0.00 0.02 0.00 0.00 56.10 57.15 1g1t s TRP 62 Cb -0.11 -3.53 0.57 0.00 -1.15 0.00 0.00 33.47 29.25 1g1t s TRP 62 CO 0.01 -1.83 1.76 -0.39 0.02 0.00 0.00 176.95 176.53 1g1t h VAL 63 N 5.10 1.28 -0.01 4.03 -1.51 -1.52 0.54 116.25 124.17 1g1t h VAL 63 Ca -0.34 -1.36 -0.19 0.00 -1.23 0.00 0.00 66.70 63.58 1g1t h VAL 63 Cb 1.16 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 1g1t h VAL 63 CO 0.91 0.40 -0.83 1.23 -1.23 0.00 0.00 177.57 178.05 1g1t h GLY 64 N 1.14 0.22 0.00 5.19 0.00 -1.79 -3.33 103.07 104.50 1g1t h GLY 64 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1g1t h GLY 64 CO 0.05 0.32 -1.31 -1.30 0.00 0.00 0.00 176.54 174.31 1g1t n THR 65 N -3.69 0.00 -1.59 4.70 -2.24 -1.21 -4.99 114.28 105.26 1g1t n THR 65 Ca -0.03 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.33 1g1t n THR 65 Cb 0.78 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.40 1g1t n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g1t n GLN 66 N -1.76 -1.06 -3.67 -0.78 6.02 0.19 -5.00 117.38 111.31 1g1t n GLN 66 Ca -0.01 0.97 -0.37 0.00 -0.01 0.00 0.00 57.00 57.58 1g1t n GLN 66 Cb 0.31 -5.14 -0.06 0.00 1.02 0.00 0.00 30.24 26.37 1g1t n GLN 66 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1g1t s LYS 67 N -3.53 3.73 0.66 -1.09 1.02 -1.22 -4.82 119.74 114.50 1g1t s LYS 67 Ca 0.00 0.15 -0.15 0.00 0.02 0.00 0.00 55.97 55.99 1g1t s LYS 67 Cb 0.00 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1g1t s LYS 67 CO 0.00 0.70 1.12 -1.25 -0.92 0.00 0.00 175.35 175.00 1g1t s PRO 68 N -0.94 2.73 0.27 -1.68 0.04 -1.26 -1.20 135.00 132.96 1g1t s PRO 68 Ca 0.19 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 1g1t s PRO 68 Cb -0.14 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1g1t s PRO 68 CO 0.09 -1.31 1.55 -1.17 0.04 0.00 0.00 177.00 176.20 1g1t s LEU 69 N -4.88 4.36 0.24 -3.56 2.96 0.60 -4.83 118.68 113.58 1g1t s LEU 69 Ca 0.68 2.85 0.06 0.00 -0.22 0.00 0.00 54.13 57.49 1g1t s LEU 69 Cb -0.22 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.81 1g1t s LEU 69 CO 0.42 -0.85 0.28 0.42 -1.32 0.00 0.00 176.35 175.29 1g1t s THR 70 N 0.10 4.86 0.34 3.68 -4.23 -1.26 -4.99 115.64 114.14 1g1t s THR 70 Ca 0.63 -1.19 0.08 0.00 -1.18 0.00 0.00 61.69 60.02 1g1t s THR 70 Cb -0.46 -3.63 0.11 0.00 1.34 0.00 0.00 72.50 69.86 1g1t s THR 70 CO 0.45 -0.34 1.83 -0.33 -0.54 0.00 0.00 174.62 175.69 1g1t h GLU 71 N 1.34 0.27 0.00 3.99 4.39 -1.95 -1.14 114.58 121.49 1g1t h GLU 71 Ca -0.50 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.06 1g1t h GLU 71 Cb 1.23 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1g1t h GLU 71 CO 0.61 0.49 -0.24 1.05 -1.16 0.00 0.00 179.01 179.76 1g1t h GLU 72 N 0.25 0.00 0.06 2.33 4.11 -1.95 -3.20 114.58 116.18 1g1t h GLU 72 Ca 0.04 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.14 1g1t h GLU 72 Cb 0.54 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1g1t h GLU 72 CO 0.04 0.24 -1.90 0.00 0.07 0.00 0.00 179.01 177.45 1g1t n ALA 73 N -2.22 1.20 -1.58 1.06 0.00 -1.04 -3.72 120.51 114.21 1g1t n ALA 73 Ca 0.00 -0.72 -0.58 0.00 0.00 0.00 0.00 53.44 52.15 1g1t n ALA 73 Cb 0.46 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 19.12 1g1t n ALA 73 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1g1t n LYS 74 N -3.25 0.47 -2.69 0.00 4.81 -0.46 -4.80 118.16 112.25 1g1t n LYS 74 Ca -0.26 0.17 -0.07 0.00 -0.87 0.00 0.00 58.31 57.28 1g1t n LYS 74 Cb 1.05 -1.73 0.07 0.00 0.02 0.00 0.00 35.03 34.44 1g1t n LYS 74 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1g1t n ASN 75 N 2.51 -0.06 -4.77 3.14 5.15 -1.26 -5.02 115.26 114.96 1g1t n ASN 75 Ca 0.22 -2.53 -0.38 0.00 -0.60 0.00 0.00 54.58 51.28 1g1t n ASN 75 Cb 0.10 0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 1g1t n ASN 75 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1g1t s TRP 76 N -1.65 2.77 0.71 1.20 0.52 -1.26 -0.46 118.94 120.76 1g1t s TRP 76 Ca 0.24 1.47 -0.11 0.00 0.02 0.00 0.00 56.10 57.72 1g1t s TRP 76 Cb 0.43 -3.54 0.02 0.00 -1.15 0.00 0.00 33.47 29.23 1g1t s TRP 76 CO -0.03 -1.91 1.07 0.00 0.02 0.00 0.00 176.95 176.11 1g1t s ALA 77 N -1.41 2.54 0.13 0.98 0.00 0.25 -4.63 121.76 119.62 1g1t s ALA 77 Ca 0.63 0.18 -0.34 0.00 0.00 0.00 0.00 51.96 52.43 1g1t s ALA 77 Cb -0.34 -3.21 -0.14 0.00 0.00 0.00 0.00 23.12 19.43 1g1t s ALA 77 CO 0.41 -1.37 1.60 -2.30 0.00 0.00 0.00 175.76 174.11 1g1t n PRO 78 N -3.16 2.10 -0.10 0.00 -0.02 -1.26 -1.15 135.00 131.40 1g1t n PRO 78 Ca 0.08 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1g1t n PRO 78 Cb 0.53 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1g1t n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g1t n GLY 79 N 3.49 1.29 3.84 -1.23 0.00 -1.26 -5.05 105.19 106.27 1g1t n GLY 79 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1g1t n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g1t s GLU 80 N -0.52 3.08 0.36 1.61 0.41 -0.30 -3.99 118.70 119.35 1g1t s GLU 80 Ca 0.00 -0.73 -0.21 0.00 -0.41 0.00 0.00 54.97 53.62 1g1t s GLU 80 Cb 0.00 -2.78 -0.10 0.00 -1.78 0.00 0.00 34.13 29.47 1g1t s GLU 80 CO 0.00 0.52 0.89 -1.25 -0.49 0.00 0.00 175.26 174.93 1g1t s PRO 81 N -2.93 4.28 0.00 0.39 0.04 -1.26 -4.64 135.00 130.88 1g1t s PRO 81 Ca 0.32 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1g1t s PRO 81 Cb -0.11 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1g1t s PRO 81 CO 0.25 0.13 0.39 0.27 0.04 0.00 0.00 177.00 178.08 1g1t n ASN 82 N -0.14 0.62 -4.40 6.66 0.23 -1.26 -4.98 115.26 112.00 1g1t n ASN 82 Ca 0.04 -1.15 -0.44 0.00 -0.53 0.00 0.00 54.58 52.50 1g1t n ASN 82 Cb 0.53 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.19 1g1t n ASN 82 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1g1t s ASN 83 N -0.15 6.32 -1.07 0.53 -0.87 -1.26 -4.94 114.94 113.50 1g1t s ASN 83 Ca 0.00 -1.59 -0.03 0.00 -1.57 0.00 0.00 52.86 49.67 1g1t s ASN 83 Cb 0.00 -2.33 0.31 0.00 -0.02 0.00 0.00 41.25 39.21 1g1t s ASN 83 CO 0.00 -1.12 1.59 0.54 -2.57 0.00 0.00 177.10 175.55 1g1t n ARG 84 N 6.42 4.75 -3.63 -0.60 1.74 -1.26 -4.76 116.66 119.31 1g1t n ARG 84 Ca 0.00 -4.57 -0.14 0.00 -0.77 0.00 0.00 57.85 52.38 1g1t n ARG 84 Cb 0.45 -2.51 -0.06 0.00 -1.02 0.00 0.00 32.46 29.32 1g1t n ARG 84 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1g1t s GLN 85 N -3.18 0.94 0.28 5.56 0.74 -1.26 -5.13 119.66 117.62 1g1t s GLN 85 Ca 0.33 -0.26 -0.29 0.00 0.05 0.00 0.00 55.36 55.19 1g1t s GLN 85 Cb 0.09 0.43 -0.13 0.00 1.10 0.00 0.00 33.01 34.49 1g1t s GLN 85 CO 0.04 -0.32 1.26 1.17 -0.55 0.00 0.00 175.29 176.89 1g1t n LYS 86 N 0.58 1.86 -1.94 1.67 3.00 -1.26 -2.28 118.16 119.79 1g1t n LYS 86 Ca -0.19 0.66 -0.17 0.00 -0.00 0.00 0.00 58.31 58.61 1g1t n LYS 86 Cb 0.59 -2.21 -0.04 0.00 0.00 0.00 0.00 35.03 33.38 1g1t n LYS 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1g1t n ASP 87 N 1.42 -4.95 -0.79 3.14 8.00 -1.26 -4.86 116.55 117.24 1g1t n ASP 87 Ca 0.09 0.18 0.04 0.00 0.71 0.00 0.00 54.79 55.80 1g1t n ASP 87 Cb 0.33 -3.99 0.06 0.00 -0.02 0.00 0.00 41.12 37.50 1g1t n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1g1t n GLU 88 N -2.56 0.45 -1.31 -1.24 1.02 -0.97 -1.46 120.64 114.58 1g1t n GLU 88 Ca -0.18 -1.96 -0.25 0.00 -0.02 0.00 0.00 57.16 54.75 1g1t n GLU 88 Cb 0.60 -0.66 0.12 0.00 -0.02 0.00 0.00 31.44 31.48 1g1t n GLU 88 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1g1t n ASP 89 N -0.23 5.30 -4.87 1.62 5.75 -1.26 -3.92 116.55 118.94 1g1t n ASP 89 Ca 0.08 -3.74 -0.32 0.00 -0.01 0.00 0.00 54.79 50.80 1g1t n ASP 89 Cb 0.84 -0.79 -0.05 0.00 -1.03 0.00 0.00 41.12 40.09 1g1t n ASP 89 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g1t s VAL 91 N -1.41 1.45 0.16 0.00 1.01 -1.26 0.32 120.40 120.66 1g1t s VAL 91 Ca 0.31 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1g1t s VAL 91 Cb -0.13 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1g1t s VAL 91 CO 0.23 0.42 0.06 -1.83 0.00 0.00 0.00 175.10 173.98 1g1t s GLU 92 N 0.05 2.64 -0.16 2.72 -1.05 -0.29 -1.35 118.70 121.27 1g1t s GLU 92 Ca -0.04 -0.97 -0.01 0.00 -0.15 0.00 0.00 54.97 53.79 1g1t s GLU 92 Cb -0.12 -2.50 -0.01 0.00 -0.44 0.00 0.00 34.13 31.06 1g1t s GLU 92 CO 0.02 0.48 -0.11 -1.50 0.95 0.00 0.00 175.26 175.11 1g1t s ILE 93 N -1.70 3.14 -1.25 1.83 2.07 -0.18 -1.78 121.20 123.34 1g1t s ILE 93 Ca 0.29 -0.61 -0.12 0.00 -1.41 0.00 0.00 60.65 58.80 1g1t s ILE 93 Cb -0.10 -2.35 -0.06 0.00 0.13 0.00 0.00 42.46 40.08 1g1t s ILE 93 CO 0.21 0.50 2.38 -1.22 -1.91 0.00 0.00 174.94 174.90 1g1t n TYR 94 N 3.90 2.30 -1.77 3.50 4.01 0.38 -3.51 117.16 125.97 1g1t n TYR 94 Ca -0.18 -2.54 -0.42 0.00 -0.16 0.00 0.00 57.90 54.60 1g1t n TYR 94 Cb 0.52 -2.15 -0.03 0.00 -0.31 0.00 0.00 39.34 37.37 1g1t n TYR 94 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1g1t s ILE 95 N 3.24 2.79 -1.55 -0.72 -1.09 -1.26 -0.28 121.20 122.32 1g1t s ILE 95 Ca 0.54 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 1g1t s ILE 95 Cb 0.14 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 1g1t s ILE 95 CO -0.03 -0.00 0.00 0.29 -1.23 0.00 0.00 174.94 173.97 1g1t n LYS 96 N 6.10 -1.67 -2.45 2.79 5.02 -1.26 -4.57 118.16 122.11 1g1t n LYS 96 Ca 0.18 0.87 -0.35 0.00 -2.02 0.00 0.00 58.31 56.98 1g1t n LYS 96 Cb 0.39 -5.34 -0.02 0.00 -0.02 0.00 0.00 35.03 30.04 1g1t n LYS 96 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1g1t s ARG 97 N -4.21 3.79 0.19 1.97 3.52 -1.08 -4.95 118.95 118.18 1g1t s ARG 97 Ca 0.00 1.51 -0.12 0.00 -0.13 0.00 0.00 55.73 56.98 1g1t s ARG 97 Cb 0.00 -2.23 0.20 0.00 -1.56 0.00 0.00 34.95 31.36 1g1t s ARG 97 CO 0.00 -0.46 1.72 1.49 -0.81 0.00 0.00 175.30 177.24 1g1t h GLU 98 N 1.78 0.26 -6.12 5.12 4.81 -1.93 -3.37 114.58 115.14 1g1t h GLU 98 Ca -0.49 -0.02 -0.59 0.00 -0.13 0.00 0.00 59.36 58.13 1g1t h GLU 98 Cb 1.23 -0.06 -0.14 0.00 0.63 0.00 0.00 28.75 30.41 1g1t h GLU 98 CO 0.60 0.17 -0.75 0.15 -0.73 0.00 0.00 179.01 178.45 1g1t s LYS 99 N -6.13 1.65 -1.48 1.92 1.02 -1.26 -4.68 119.74 110.77 1g1t s LYS 99 Ca -0.13 -1.76 -0.12 0.00 0.02 0.00 0.00 55.97 53.98 1g1t s LYS 99 Cb 0.16 -1.69 0.08 0.00 -0.52 0.00 0.00 37.83 35.86 1g1t s LYS 99 CO 0.73 0.30 0.77 -0.25 -0.92 0.00 0.00 175.35 175.99 1g1t n ASP 100 N -0.60 -4.45 -4.67 2.83 8.00 -1.26 -4.82 116.55 111.57 1g1t n ASP 100 Ca -0.05 -0.64 -0.47 0.00 0.71 0.00 0.00 54.79 54.34 1g1t n ASP 100 Cb 0.60 -3.60 -0.04 0.00 -0.02 0.00 0.00 41.12 38.06 1g1t n ASP 100 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1g1t n VAL 101 N -4.40 0.11 -0.89 2.53 3.14 -1.26 -1.62 118.33 115.93 1g1t n VAL 101 Ca 0.02 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1g1t n VAL 101 Cb 0.53 -1.56 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 1g1t n VAL 101 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1g1t n GLY 102 N 3.56 0.74 3.94 7.55 0.00 0.61 -4.99 105.19 116.60 1g1t n GLY 102 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1g1t n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g1t s MET 103 N -0.25 2.19 0.15 1.61 1.00 -0.64 -4.54 119.30 118.82 1g1t s MET 103 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 55.69 55.34 1g1t s MET 103 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 34.83 32.57 1g1t s MET 103 CO 0.00 -1.18 0.12 -1.58 0.00 0.00 0.00 175.02 172.38 1g1t s TRP 104 N -3.17 3.14 -0.09 -0.03 0.51 0.39 -0.47 118.94 119.22 1g1t s TRP 104 Ca 0.60 -0.01 -0.05 0.00 -2.12 0.00 0.00 56.10 54.53 1g1t s TRP 104 Cb -0.10 -1.52 0.04 0.00 -0.81 0.00 0.00 33.47 31.08 1g1t s TRP 104 CO 0.44 0.52 0.22 1.21 -0.51 0.00 0.00 176.95 178.82 1g1t s ASN 105 N -2.97 -0.22 0.19 2.95 2.47 -0.73 -0.58 114.94 116.04 1g1t s ASN 105 Ca 0.30 0.46 -0.30 0.00 0.42 0.00 0.00 52.86 53.75 1g1t s ASN 105 Cb -0.10 0.35 -0.08 0.00 -1.45 0.00 0.00 41.25 39.96 1g1t s ASN 105 CO 0.23 -0.16 0.97 1.51 -3.72 0.00 0.00 177.10 175.93 1g1t s ASP 106 N 1.23 7.55 0.16 -4.21 -4.77 -1.26 -1.13 116.67 114.24 1g1t s ASP 106 Ca -0.09 1.93 -0.03 0.00 -3.30 0.00 0.00 52.55 51.05 1g1t s ASP 106 Cb -0.11 -2.60 -0.03 0.00 -1.09 0.00 0.00 42.92 39.09 1g1t s ASP 106 CO -0.08 0.04 0.15 -0.70 0.70 0.00 0.00 175.17 175.28 1g1t s GLU 107 N -0.74 1.08 0.13 2.11 2.56 0.15 -4.74 118.70 119.24 1g1t s GLU 107 Ca 0.44 -1.41 -0.31 0.00 0.00 0.00 0.00 54.97 53.68 1g1t s GLU 107 Cb -0.26 0.29 -0.10 0.00 2.00 0.00 0.00 34.13 36.07 1g1t s GLU 107 CO 0.32 -0.35 1.68 0.50 -0.56 0.00 0.00 175.26 176.86 1g1t s ARG 108 N -4.06 4.18 0.61 4.30 3.52 -1.26 -3.19 118.95 123.04 1g1t s ARG 108 Ca 0.26 2.44 0.41 0.00 -0.13 0.00 0.00 55.73 58.71 1g1t s ARG 108 Cb 0.06 -3.41 2.22 0.00 -1.56 0.00 0.00 34.95 32.25 1g1t s ARG 108 CO 0.04 -0.73 2.25 0.00 -0.81 0.00 0.00 175.30 176.05 1g1t n SER 110 N -2.93 0.02 -4.76 0.00 3.41 -1.26 -1.60 113.62 106.50 1g1t n SER 110 Ca -0.03 0.49 -0.34 0.00 -0.26 0.00 0.00 58.87 58.73 1g1t n SER 110 Cb 0.06 -0.49 0.05 0.00 -0.26 0.00 0.00 64.21 63.57 1g1t n SER 110 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1g1t s LYS 111 N -3.00 2.74 -0.27 4.33 -0.14 -0.77 -4.69 119.74 117.95 1g1t s LYS 111 Ca 0.14 1.60 -0.11 0.00 -1.36 0.00 0.00 55.97 56.24 1g1t s LYS 111 Cb 0.19 -1.92 -0.05 0.00 -1.68 0.00 0.00 37.83 34.37 1g1t s LYS 111 CO 0.53 -1.33 0.18 0.15 -0.76 0.00 0.00 175.35 174.12 1g1t s LYS 112 N -3.78 3.97 0.15 1.68 1.02 -1.26 -3.87 119.74 117.64 1g1t s LYS 112 Ca 0.72 -0.31 -0.03 0.00 0.02 0.00 0.00 55.97 56.36 1g1t s LYS 112 Cb -0.25 -3.61 -0.03 0.00 -0.52 0.00 0.00 37.83 33.42 1g1t s LYS 112 CO 0.39 -0.12 0.12 0.15 -0.92 0.00 0.00 175.35 174.97 1g1t s LYS 113 N 1.57 1.02 0.45 1.68 1.02 0.03 -4.62 119.74 120.87 1g1t s LYS 113 Ca 0.07 -1.40 -0.22 0.00 0.02 0.00 0.00 55.97 54.44 1g1t s LYS 113 Cb -0.15 0.28 -0.08 0.00 -0.52 0.00 0.00 37.83 37.35 1g1t s LYS 113 CO 0.09 -0.32 1.09 -0.51 -0.92 0.00 0.00 175.35 174.78 1g1t s LEU 114 N -3.04 4.00 -0.01 3.17 1.43 -0.57 -0.47 118.68 123.19 1g1t s LEU 114 Ca 0.24 2.10 -0.25 0.00 -1.03 0.00 0.00 54.13 55.19 1g1t s LEU 114 Cb 0.06 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 1g1t s LEU 114 CO 0.03 -0.73 0.75 0.00 0.23 0.00 0.00 176.35 176.63 1g1t s ALA 115 N -1.71 3.34 -0.30 4.21 0.00 -1.26 -0.50 121.76 125.53 1g1t s ALA 115 Ca 0.63 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.82 1g1t s ALA 115 Cb -0.23 -3.00 0.06 0.00 0.00 0.00 0.00 23.12 19.95 1g1t s ALA 115 CO 0.28 -0.03 -0.02 -1.17 0.00 0.00 0.00 175.76 174.82 1g1t s LEU 116 N 0.39 3.90 0.38 0.00 2.96 -1.19 -1.61 118.68 123.51 1g1t s LEU 116 Ca 0.39 -1.39 0.08 0.00 -0.22 0.00 0.00 54.13 52.99 1g1t s LEU 116 Cb -0.19 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1g1t s LEU 116 CO 0.21 -0.26 0.27 0.00 -1.32 0.00 0.00 176.35 175.25 1g1t s TYR 118 N -2.45 0.68 -0.19 0.00 1.13 -0.47 -1.78 117.35 114.27 1g1t s TYR 118 Ca 0.43 -0.79 0.01 0.00 -1.41 0.00 0.00 57.07 55.31 1g1t s TYR 118 Cb -0.02 -0.42 0.04 0.00 -1.10 0.00 0.00 41.96 40.45 1g1t s TYR 118 CO 0.26 -0.19 -0.12 0.99 -2.51 0.00 0.00 175.55 173.97 1g1t s THR 119 N -2.85 1.73 0.38 -3.49 2.01 0.04 -1.02 115.64 112.44 1g1t s THR 119 Ca 0.02 -0.97 -0.27 0.00 0.31 0.00 0.00 61.69 60.78 1g1t s THR 119 Cb 0.00 -1.73 -0.09 0.00 0.01 0.00 0.00 72.50 70.69 1g1t s THR 119 CO -0.04 0.27 1.31 0.00 -0.69 0.00 0.00 174.62 175.46 1g1t s ALA 120 N 1.38 3.35 -0.39 7.40 0.00 -1.26 -2.14 121.76 130.09 1g1t s ALA 120 Ca 0.00 1.25 0.19 0.00 0.00 0.00 0.00 51.96 53.40 1g1t s ALA 120 Cb -0.15 -3.49 -0.25 0.00 0.00 0.00 0.00 23.12 19.23 1g1t s ALA 120 CO -0.09 -0.77 0.57 0.00 0.00 0.00 0.00 175.76 175.47 1g1t n ALA 121 N 0.36 3.43 -2.72 0.00 0.00 -1.26 -4.93 120.51 115.39 1g1t n ALA 121 Ca 0.02 -0.48 -0.36 0.00 0.00 0.00 0.00 53.44 52.62 1g1t n ALA 121 Cb 0.43 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 1g1t n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g1t n THR 123 N 3.16 0.00 0.29 0.00 -2.24 -1.26 -5.02 114.28 109.21 1g1t n THR 123 Ca -0.14 -2.40 0.17 0.00 -2.27 0.00 0.00 64.05 59.41 1g1t n THR 123 Cb 0.52 1.16 0.86 0.00 -2.10 0.00 0.00 70.33 70.78 1g1t n THR 123 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1g1t h ASN 124 N 1.97 0.00 -0.02 3.42 2.35 -2.02 -2.29 115.58 119.00 1g1t h ASN 124 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1g1t h ASN 124 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1g1t h ASN 124 CO 0.36 0.05 -0.03 0.35 -1.65 0.00 0.00 177.43 176.51 1g1t n THR 125 N -3.33 0.00 -0.96 2.81 -2.24 -1.26 -4.63 114.28 104.67 1g1t n THR 125 Ca -0.01 -0.38 -0.32 0.00 -2.27 0.00 0.00 64.05 61.07 1g1t n THR 125 Cb 0.21 1.06 0.14 0.00 -2.10 0.00 0.00 70.33 69.63 1g1t n THR 125 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1g1t s SER 126 N -2.04 3.45 -1.52 3.42 0.01 -0.86 -3.35 113.70 112.81 1g1t s SER 126 Ca 0.31 2.19 -0.13 0.00 1.31 0.00 0.00 55.95 59.63 1g1t s SER 126 Cb 0.20 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.95 1g1t s SER 126 CO 0.33 -2.75 0.93 0.00 0.41 0.00 0.00 173.24 172.16 1g1t n SER 128 N -2.77 -5.39 0.00 0.00 7.64 -1.08 -0.97 113.62 111.04 1g1t n SER 128 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1g1t n SER 128 Cb 0.53 -3.34 0.00 0.00 -1.01 0.00 0.00 64.21 60.38 1g1t n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1g1t n GLY 129 N 0.75 0.52 2.70 0.23 0.00 -0.62 -4.93 105.19 103.84 1g1t n GLY 129 Ca 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 1g1t n GLY 129 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1g1t n HIS 130 N -2.91 1.48 -3.54 1.61 8.25 -0.15 -5.08 115.22 114.88 1g1t n HIS 130 Ca 0.00 -2.30 -0.08 0.00 -0.26 0.00 0.00 57.72 55.08 1g1t n HIS 130 Cb 0.00 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.82 1g1t n HIS 130 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1g1t s GLY 131 N -3.65 -0.38 -0.16 -1.41 0.00 -1.22 -1.14 107.32 99.36 1g1t s GLY 131 Ca 0.30 1.35 -0.23 0.00 0.00 0.00 0.00 44.72 46.15 1g1t s GLY 131 CO -0.02 0.51 0.70 1.85 0.00 0.00 0.00 173.10 176.14 1g1t s GLU 132 N -2.58 4.29 -0.17 2.90 2.12 0.63 -4.76 118.70 121.13 1g1t s GLU 132 Ca 0.05 0.79 -0.16 0.00 0.36 0.00 0.00 54.97 56.01 1g1t s GLU 132 Cb -0.01 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1g1t s GLU 132 CO -0.06 -0.19 0.42 0.00 -0.54 0.00 0.00 175.26 174.89 1g1t s VAL 134 N 0.95 2.04 0.19 0.00 1.01 -0.17 -4.97 120.40 119.44 1g1t s VAL 134 Ca 0.21 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1g1t s VAL 134 Cb -0.15 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 34.36 1g1t s VAL 134 CO 0.08 0.55 1.07 -1.61 0.00 0.00 0.00 175.10 175.18 1g1t s GLU 135 N 0.71 4.64 0.41 2.72 0.41 -1.26 -0.75 118.70 125.58 1g1t s GLU 135 Ca -0.10 1.67 0.04 0.00 -0.41 0.00 0.00 54.97 56.18 1g1t s GLU 135 Cb -0.16 -3.28 -0.02 0.00 -1.78 0.00 0.00 34.13 28.89 1g1t s GLU 135 CO 0.01 0.16 0.15 0.95 -0.49 0.00 0.00 175.26 176.03 1g1t s THR 136 N -0.44 0.51 -0.30 3.63 -4.23 -0.57 -4.82 115.64 109.43 1g1t s THR 136 Ca 0.47 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.70 1g1t s THR 136 Cb -0.29 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 1g1t s THR 136 CO 0.35 0.00 1.75 -0.63 -0.54 0.00 0.00 174.62 175.55 1g1t s ILE 137 N -3.21 3.52 -1.55 2.99 1.01 -1.26 -1.35 121.20 121.35 1g1t s ILE 137 Ca 0.24 0.55 -0.02 0.00 0.00 0.00 0.00 60.65 61.42 1g1t s ILE 137 Cb 0.02 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.84 1g1t s ILE 137 CO 0.16 -0.38 0.17 0.59 0.00 0.00 0.00 174.94 175.48 1g1t n ASN 138 N 9.77 -5.42 -1.49 3.58 3.02 0.62 -4.90 115.26 120.44 1g1t n ASN 138 Ca 0.22 -0.06 -0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1g1t n ASN 138 Cb 0.46 -4.49 0.00 0.00 -0.61 0.00 0.00 39.78 35.15 1g1t n ASN 138 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1g1t n ASN 139 N -2.11 -0.35 -3.49 6.41 4.05 -1.14 -4.87 115.26 113.75 1g1t n ASN 139 Ca -0.18 -1.18 -0.11 0.00 0.45 0.00 0.00 54.58 53.56 1g1t n ASN 139 Cb 0.65 0.57 -0.02 0.00 1.23 0.00 0.00 39.78 42.20 1g1t n ASN 139 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1g1t s TYR 140 N -4.95 -0.46 0.13 1.20 1.13 -1.26 -1.38 117.35 111.76 1g1t s TYR 140 Ca 0.05 0.21 0.05 0.00 -1.41 0.00 0.00 57.07 55.97 1g1t s TYR 140 Cb -0.01 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.35 1g1t s TYR 140 CO 0.01 -0.87 -0.11 0.95 -2.51 0.00 0.00 175.55 173.02 1g1t s THR 141 N -3.78 1.15 -0.12 -3.49 -4.23 0.07 -4.91 115.64 100.33 1g1t s THR 141 Ca 0.02 -1.83 0.02 0.00 -1.18 0.00 0.00 61.69 58.72 1g1t s THR 141 Cb -0.01 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.22 1g1t s THR 141 CO -0.11 -0.59 -0.18 0.00 -0.54 0.00 0.00 174.62 173.20 1g1t s LYS 143 N 0.39 2.21 0.48 0.00 2.20 0.02 -4.92 119.74 120.12 1g1t s LYS 143 Ca -0.14 -1.83 -0.24 0.00 -0.36 0.00 0.00 55.97 53.40 1g1t s LYS 143 Cb -0.17 -3.73 -0.07 0.00 -1.51 0.00 0.00 37.83 32.36 1g1t s LYS 143 CO 0.07 -1.13 1.30 0.00 -0.36 0.00 0.00 175.35 175.23 1g1t s ASP 145 N -0.95 5.15 0.28 0.00 1.01 -0.29 -4.87 116.67 117.00 1g1t s ASP 145 Ca 0.64 1.35 -0.30 0.00 0.71 0.00 0.00 52.55 54.95 1g1t s ASP 145 Cb -0.37 -2.17 -0.12 0.00 1.01 0.00 0.00 42.92 41.27 1g1t s ASP 145 CO 0.46 -1.55 1.52 -2.65 0.21 0.00 0.00 175.17 173.16 1g1t n PRO 146 N -3.17 2.47 -0.01 8.23 -0.02 -1.26 -2.16 135.00 139.08 1g1t n PRO 146 Ca 0.07 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1g1t n PRO 146 Cb 0.56 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1g1t n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g1t n GLY 147 N 2.08 0.24 3.15 -1.23 0.00 -1.26 -5.06 105.19 103.11 1g1t n GLY 147 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1g1t n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g1t s PHE 148 N -2.07 1.13 0.32 1.61 0.08 -0.92 -0.06 117.98 118.07 1g1t s PHE 148 Ca 0.00 -0.45 -0.03 0.00 0.12 0.00 0.00 56.93 56.57 1g1t s PHE 148 Cb 0.00 -0.65 -0.00 0.00 -0.57 0.00 0.00 43.02 41.80 1g1t s PHE 148 CO 0.00 0.03 0.44 -1.54 -0.10 0.00 0.00 175.22 174.05 1g1t s SER 149 N -1.62 0.77 0.00 1.36 1.04 -0.21 -4.54 113.70 110.50 1g1t s SER 149 Ca -0.03 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 54.98 1g1t s SER 149 Cb -0.10 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1g1t s SER 149 CO 0.02 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.62 1g1t n GLY 150 N -0.52 2.62 0.29 7.32 0.00 -1.26 -1.31 105.19 112.33 1g1t n GLY 150 Ca 0.01 -1.94 0.14 0.00 0.00 0.00 0.00 46.02 44.24 1g1t n GLY 150 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1g1t h LEU 151 N 0.00 0.00 -2.71 0.99 3.38 -2.01 -1.66 115.31 113.30 1g1t h LEU 151 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1g1t h LEU 151 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1g1t h LEU 151 CO 0.00 0.03 0.00 0.29 0.09 0.00 0.00 178.44 178.85 1g1t n LYS 152 N -3.84 2.51 -2.79 1.13 4.76 -1.26 -4.38 118.16 114.29 1g1t n LYS 152 Ca -0.03 -1.64 -0.22 0.00 -2.87 0.00 0.00 58.31 53.55 1g1t n LYS 152 Cb 0.12 -1.13 0.02 0.00 -1.84 0.00 0.00 35.03 32.20 1g1t n LYS 152 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1g1t n GLU 154 N -3.66 0.78 -4.26 0.00 0.00 -1.03 -4.54 120.64 107.92 1g1t n GLU 154 Ca -0.17 -0.46 -0.35 0.00 0.00 0.00 0.00 57.16 56.19 1g1t n GLU 154 Cb 0.65 -1.49 -0.09 0.00 0.00 0.00 0.00 31.44 30.51 1g1t n GLU 154 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1g1t s GLN 155 N -2.54 3.05 -0.23 3.44 -0.21 -0.43 -4.98 119.66 117.76 1g1t s GLN 155 Ca 0.23 -0.38 -0.29 0.00 0.02 0.00 0.00 55.36 54.94 1g1t s GLN 155 Cb 0.19 -2.85 0.01 0.00 1.00 0.00 0.00 33.01 31.35 1g1t s GLN 155 CO 0.53 0.71 1.10 0.42 -2.12 0.00 0.00 175.29 175.93 1g1t s ILE 156 N -0.95 4.56 -2.00 1.08 -1.09 -1.26 -1.05 121.20 120.49 1g1t s ILE 156 Ca 0.15 1.88 0.22 0.00 -2.23 0.00 0.00 60.65 60.67 1g1t s ILE 156 Cb -0.11 -4.26 0.64 0.00 -1.58 0.00 0.00 42.46 37.15 1g1t s ILE 156 CO 0.04 -0.22 1.71 0.52 -1.23 0.00 0.00 174.94 175.77