#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g2k n SER 2 N 0.00 2.41 -4.61 1.96 3.41 -1.26 -5.07 113.62 110.46 2g2k n SER 2 Ca 0.00 -3.12 -0.54 0.00 -0.26 0.00 0.00 58.87 54.95 2g2k n SER 2 Cb 0.00 0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 2g2k n SER 2 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2g2k n VAL 3 N -1.07 0.07 -2.60 -3.33 3.14 -1.26 -4.95 118.33 108.33 2g2k n VAL 3 Ca -0.14 -0.01 -0.23 0.00 -2.96 0.00 0.00 64.34 61.00 2g2k n VAL 3 Cb 0.61 -0.86 0.10 0.00 -1.06 0.00 0.00 33.84 32.63 2g2k n VAL 3 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2g2k s ASN 4 N 1.15 4.42 0.57 6.55 2.20 -1.26 -4.91 114.94 123.66 2g2k s ASN 4 Ca 0.88 -0.36 0.38 0.00 -0.94 0.00 0.00 52.86 52.82 2g2k s ASN 4 Cb -1.01 -0.05 1.48 0.00 -2.00 0.00 0.00 41.25 39.67 2g2k s ASN 4 CO 0.52 -1.81 1.66 0.58 -2.94 0.00 0.00 177.10 175.11 2g2k h VAL 5 N -0.48 0.21 -2.77 3.54 2.07 -2.01 -3.47 116.25 113.35 2g2k h VAL 5 Ca -0.36 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.22 2g2k h VAL 5 Cb 1.27 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2g2k h VAL 5 CO 0.41 0.00 -0.79 -3.20 0.02 0.00 0.00 177.57 174.01 2g2k n ASN 6 N -3.87 -6.25 0.11 0.57 4.05 -1.26 -3.44 115.26 105.17 2g2k n ASN 6 Ca 0.28 1.34 0.11 0.00 0.45 0.00 0.00 54.58 56.75 2g2k n ASN 6 Cb 1.43 -3.62 0.46 0.00 1.23 0.00 0.00 39.78 39.28 2g2k n ASN 6 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2g2k n ARG 7 N -2.69 0.15 0.00 1.20 1.74 -1.26 -1.89 116.66 113.90 2g2k n ARG 7 Ca -0.02 0.42 0.13 0.00 -0.77 0.00 0.00 57.85 57.62 2g2k n ARG 7 Cb 0.40 -1.81 0.64 0.00 -1.02 0.00 0.00 32.46 30.67 2g2k n ARG 7 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2g2k n SER 8 N -2.09 0.00 -3.01 0.55 2.88 -1.26 -4.97 113.62 105.71 2g2k n SER 8 Ca 0.02 0.17 -0.01 0.00 -1.33 0.00 0.00 58.87 57.72 2g2k n SER 8 Cb 0.19 -0.38 -0.00 0.00 -0.75 0.00 0.00 64.21 63.26 2g2k n SER 8 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2g2k n VAL 9 N -1.38 -5.04 -2.17 2.46 0.31 -0.79 -4.96 118.33 106.76 2g2k n VAL 9 Ca 0.10 0.92 -0.02 0.00 -0.01 0.00 0.00 64.34 65.32 2g2k n VAL 9 Cb 0.26 -4.10 -0.03 0.00 -0.91 0.00 0.00 33.84 29.06 2g2k n VAL 9 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2g2k n MET 10 N 1.45 0.00 -1.67 5.55 0.00 -1.25 -5.10 117.12 116.10 2g2k n MET 10 Ca -0.04 -1.22 -0.51 0.00 0.00 0.00 0.00 57.70 55.93 2g2k n MET 10 Cb 0.31 0.20 -0.06 0.00 0.00 0.00 0.00 33.22 33.67 2g2k n MET 10 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2g2k n ASP 11 N 0.17 3.06 0.15 3.17 -0.08 -1.26 -4.83 116.55 116.92 2g2k n ASP 11 Ca -0.11 0.95 0.08 0.00 -1.51 0.00 0.00 54.79 54.19 2g2k n ASP 11 Cb 0.83 -1.30 0.06 0.00 2.34 0.00 0.00 41.12 43.04 2g2k n ASP 11 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2g2k h GLN 12 N 9.02 0.00 -0.21 -0.67 1.08 -1.99 -3.31 115.11 119.04 2g2k h GLN 12 Ca -0.46 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 56.66 2g2k h GLN 12 Cb 1.29 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.67 2g2k h GLN 12 CO 0.96 0.14 -0.12 1.97 -0.95 0.00 0.00 178.83 180.83 2g2k n PHE 13 N -2.98 0.67 0.00 2.96 1.16 -1.26 -4.72 117.46 113.30 2g2k n PHE 13 Ca 0.01 -1.31 0.00 0.00 -1.87 0.00 0.00 57.45 54.28 2g2k n PHE 13 Cb 0.62 -0.35 0.00 0.00 -1.61 0.00 0.00 39.48 38.14 2g2k n PHE 13 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 2g2k n TYR 14 N -1.04 0.00 -0.04 2.97 9.36 -1.25 -4.50 117.16 122.67 2g2k n TYR 14 Ca 0.25 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.43 2g2k n TYR 14 Cb 0.87 -0.10 -0.06 0.00 -0.63 0.00 0.00 39.34 39.43 2g2k n TYR 14 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2g2k n ARG 15 N -1.08 2.53 -3.74 2.98 3.00 -1.26 -4.97 116.66 114.12 2g2k n ARG 15 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 2g2k n ARG 15 Cb 0.00 -1.19 -0.08 0.00 0.00 0.00 0.00 32.46 31.19 2g2k n ARG 15 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2g2k s TYR 16 N -2.18 3.41 0.21 -0.14 2.02 -1.26 -5.09 117.35 114.32 2g2k s TYR 16 Ca -0.05 0.33 0.06 0.00 -0.37 0.00 0.00 57.07 57.04 2g2k s TYR 16 Cb 0.02 -2.15 -0.05 0.00 -0.40 0.00 0.00 41.96 39.38 2g2k s TYR 16 CO 0.30 0.30 -0.09 0.21 -1.57 0.00 0.00 175.55 174.70 2g2k s LYS 17 N 0.33 1.30 -0.18 -0.62 2.20 -1.26 -4.29 119.74 117.22 2g2k s LYS 17 Ca 0.08 -1.61 -0.05 0.00 -0.36 0.00 0.00 55.97 54.03 2g2k s LYS 17 Cb -0.11 -0.89 0.07 0.00 -1.51 0.00 0.00 37.83 35.40 2g2k s LYS 17 CO -0.02 0.07 0.14 1.41 -0.36 0.00 0.00 175.35 176.58 2g2k s MET 18 N -3.74 0.11 -0.05 4.03 -2.45 -1.26 -5.03 119.30 110.91 2g2k s MET 18 Ca 0.24 0.01 -0.17 0.00 -1.25 0.00 0.00 55.69 54.52 2g2k s MET 18 Cb 0.02 -1.62 -0.11 0.00 1.25 0.00 0.00 34.83 34.38 2g2k s MET 18 CO 0.07 -0.67 0.69 -1.00 1.05 0.00 0.00 175.02 175.16 2g2k h PRO 19 N 8.38 -0.34 0.00 4.11 0.13 -2.02 -3.50 132.00 138.76 2g2k h PRO 19 Ca -0.16 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2g2k h PRO 19 Cb 1.15 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2g2k h PRO 19 CO 0.29 -0.06 0.00 -2.13 -0.23 0.00 0.00 178.00 175.87 2g2k n ARG 20 N -5.01 0.00 -2.98 0.86 3.00 -1.26 -5.13 116.66 106.14 2g2k n ARG 20 Ca -0.07 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.38 2g2k n ARG 20 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.63 2g2k n ARG 20 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2g2k s LEU 21 N 0.00 4.43 -0.04 6.15 0.20 -1.26 -4.80 118.68 123.37 2g2k s LEU 21 Ca 0.00 1.42 0.02 0.00 0.69 0.00 0.00 54.13 56.27 2g2k s LEU 21 Cb 0.00 -3.22 0.01 0.00 -0.43 0.00 0.00 46.19 42.55 2g2k s LEU 21 CO 0.00 -0.01 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.33 2g2k s ILE 22 N 0.07 0.84 0.08 6.68 1.01 -1.26 -4.72 121.20 123.89 2g2k s ILE 22 Ca 0.39 -0.36 0.09 0.00 0.00 0.00 0.00 60.65 60.76 2g2k s ILE 22 Cb -0.20 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 2g2k s ILE 22 CO 0.22 0.27 -0.23 0.00 0.00 0.00 0.00 174.94 175.21 2g2k s ALA 23 N 0.38 1.98 -0.06 9.38 0.00 -1.26 -3.90 121.76 128.27 2g2k s ALA 23 Ca -0.07 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.72 2g2k s ALA 23 Cb -0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2g2k s ALA 23 CO 0.01 0.44 -0.20 0.15 0.00 0.00 0.00 175.76 176.16 2g2k s LYS 24 N -1.56 2.55 -0.12 0.00 3.01 -0.46 -4.48 119.74 118.69 2g2k s LYS 24 Ca 0.09 -0.81 -0.12 0.00 -1.01 0.00 0.00 55.97 54.13 2g2k s LYS 24 Cb -0.10 -2.27 -0.05 0.00 -1.01 0.00 0.00 37.83 34.40 2g2k s LYS 24 CO 0.03 0.48 0.26 0.54 0.51 0.00 0.00 175.35 177.17 2g2k s VAL 25 N -0.38 5.31 -0.08 3.17 0.11 -1.26 -0.40 120.40 126.87 2g2k s VAL 25 Ca 0.03 0.48 0.01 0.00 -2.93 0.00 0.00 61.98 59.58 2g2k s VAL 25 Cb -0.12 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.14 2g2k s VAL 25 CO 0.02 0.51 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.58 2g2k s GLU 26 N -0.35 2.83 -0.99 1.54 2.02 -0.04 -4.94 118.70 118.77 2g2k s GLU 26 Ca 0.17 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.52 2g2k s GLU 26 Cb -0.13 -2.54 0.31 0.00 0.10 0.00 0.00 34.13 31.87 2g2k s GLU 26 CO 0.05 0.54 1.56 0.41 0.02 0.00 0.00 175.26 177.85 2g2k n GLY 27 N 2.57 5.66 3.97 -1.39 0.00 -1.26 -2.89 105.19 111.85 2g2k n GLY 27 Ca -0.18 -2.64 -0.24 0.00 0.00 0.00 0.00 46.02 42.96 2g2k n GLY 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2g2k s LYS 28 N -3.58 1.81 0.00 1.61 2.20 -1.26 -4.93 119.74 115.59 2g2k s LYS 28 Ca 0.37 -0.83 0.15 0.00 -0.36 0.00 0.00 55.97 55.30 2g2k s LYS 28 Cb 0.14 -2.28 0.81 0.00 -1.51 0.00 0.00 37.83 34.99 2g2k s LYS 28 CO -0.03 -1.38 1.39 0.41 -0.36 0.00 0.00 175.35 175.38 2g2k n GLY 29 N -2.86 -0.68 0.21 5.54 0.00 -1.26 -2.46 105.19 103.68 2g2k n GLY 29 Ca 0.12 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.21 2g2k n GLY 29 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2g2k h ASN 30 N 0.00 0.00 0.00 1.61 -0.73 -1.96 -3.47 115.58 111.03 2g2k h ASN 30 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2g2k h ASN 30 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.68 2g2k h ASN 30 CO 0.00 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.67 2g2k n GLY 31 N 0.34 3.24 0.00 1.57 0.00 -1.03 -4.95 105.19 104.36 2g2k n GLY 31 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2g2k n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2g2k n ILE 32 N 0.00 0.00 -4.72 -0.61 2.08 -1.26 -4.84 119.36 110.01 2g2k n ILE 32 Ca 0.00 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 62.98 2g2k n ILE 32 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 38.76 2g2k n ILE 32 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2g2k s LYS 33 N 0.00 3.12 -0.27 0.38 1.02 -1.14 -1.21 119.74 121.63 2g2k s LYS 33 Ca 0.00 -0.64 -0.13 0.00 0.02 0.00 0.00 55.97 55.22 2g2k s LYS 33 Cb 0.00 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 2g2k s LYS 33 CO 0.00 0.39 0.31 0.99 -0.92 0.00 0.00 175.35 176.12 2g2k s THR 34 N -0.10 5.23 -0.29 2.17 2.01 0.85 -0.86 115.64 124.65 2g2k s THR 34 Ca -0.01 0.43 -0.11 0.00 0.31 0.00 0.00 61.69 62.31 2g2k s THR 34 Cb -0.14 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2g2k s THR 34 CO 0.03 0.20 0.17 0.68 -0.69 0.00 0.00 174.62 175.01 2g2k s VAL 35 N 1.92 5.06 -0.40 3.82 -7.23 0.46 0.16 120.40 124.20 2g2k s VAL 35 Ca 0.12 -0.01 -0.18 0.00 -1.81 0.00 0.00 61.98 60.10 2g2k s VAL 35 Cb -0.16 -3.45 0.01 0.00 0.56 0.00 0.00 36.38 33.34 2g2k s VAL 35 CO 0.10 0.20 0.48 -0.51 -0.31 0.00 0.00 175.10 175.06 2g2k s ILE 36 N 1.71 5.04 -0.25 -0.62 1.10 -1.12 -1.36 121.20 125.70 2g2k s ILE 36 Ca 0.06 -0.05 -0.04 0.00 -0.51 0.00 0.00 60.65 60.11 2g2k s ILE 36 Cb -0.16 -4.02 -0.14 0.00 0.15 0.00 0.00 42.46 38.29 2g2k s ILE 36 CO 0.09 -0.36 -0.27 0.52 -2.11 0.00 0.00 174.94 172.82 2g2k n VAL 37 N 5.48 1.42 1.00 4.00 0.31 -1.26 -4.47 118.33 124.82 2g2k n VAL 37 Ca -0.06 -0.47 0.11 0.00 -0.01 0.00 0.00 64.34 63.91 2g2k n VAL 37 Cb 0.48 -1.57 0.33 0.00 -0.91 0.00 0.00 33.84 32.16 2g2k n VAL 37 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2g2k n ASN 38 N -3.62 2.11 0.05 4.52 5.15 -1.25 -4.16 115.26 118.07 2g2k n ASN 38 Ca -0.47 -1.79 0.01 0.00 -0.60 0.00 0.00 54.58 51.73 2g2k n ASN 38 Cb 0.92 -0.14 0.34 0.00 -0.53 0.00 0.00 39.78 40.37 2g2k n ASN 38 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 2g2k h MET 39 N 2.78 0.39 -0.86 1.20 4.05 -1.78 -2.50 114.93 118.22 2g2k h MET 39 Ca 0.00 -0.09 0.02 0.00 -0.28 0.00 0.00 59.70 59.35 2g2k h MET 39 Cb 0.61 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.31 2g2k h MET 39 CO 0.00 0.47 0.57 -0.39 0.23 0.00 0.00 176.91 177.79 2g2k h VAL 40 N 0.38 1.18 -0.22 -5.77 -1.51 -1.88 -1.35 116.25 107.09 2g2k h VAL 40 Ca 0.08 -0.38 -0.02 0.00 -1.23 0.00 0.00 66.70 65.15 2g2k h VAL 40 Cb 0.35 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.47 2g2k h VAL 40 CO 0.02 0.20 0.07 -0.78 -1.23 0.00 0.00 177.57 175.85 2g2k h ASP 41 N 1.12 0.31 -0.15 4.19 1.82 -1.74 -1.98 116.42 119.99 2g2k h ASP 41 Ca 0.33 -0.20 -0.00 0.00 -0.39 0.00 0.00 57.03 56.76 2g2k h ASP 41 Cb -0.06 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 2g2k h ASP 41 CO -0.08 0.44 0.08 0.58 -1.61 0.00 0.00 179.24 178.65 2g2k h VAL 42 N 0.18 1.09 -0.67 2.25 2.07 -1.41 -2.38 116.25 117.39 2g2k h VAL 42 Ca 0.07 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.42 2g2k h VAL 42 Cb 0.23 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2g2k h VAL 42 CO -0.00 0.09 0.44 0.00 0.02 0.00 0.00 177.57 178.12 2g2k h ALA 43 N 0.98 1.88 -0.23 1.67 0.00 -1.18 -2.03 119.26 120.36 2g2k h ALA 43 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2g2k h ALA 43 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2g2k h ALA 43 CO -0.01 -0.01 0.06 -0.22 0.00 0.00 0.00 179.25 179.06 2g2k h LYS 44 N 0.56 0.15 0.00 0.00 3.11 -0.82 -0.45 116.57 119.12 2g2k h LYS 44 Ca 0.30 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.13 2g2k h LYS 44 Cb 0.44 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.64 2g2k h LYS 44 CO -0.10 0.10 -0.03 0.00 -2.81 0.00 0.00 179.45 176.61 2g2k h ALA 45 N 1.15 1.11 -0.00 5.00 0.00 -1.28 -0.51 119.26 124.74 2g2k h ALA 45 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2g2k h ALA 45 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2g2k h ALA 45 CO -0.12 0.04 -0.25 -0.11 0.00 0.00 0.00 179.25 178.80 2g2k n LEU 46 N -3.28 0.30 0.00 0.00 0.00 -0.24 -4.92 117.00 108.85 2g2k n LEU 46 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 56.01 56.19 2g2k n LEU 46 Cb 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 43.42 43.25 2g2k n LEU 46 CO 0.25 0.07 0.00 -3.20 0.00 0.00 0.00 177.39 174.51 2g2k n ASN 47 N -1.43 0.00 -4.90 1.96 2.85 -0.20 -4.97 115.26 108.57 2g2k n ASN 47 Ca 0.07 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.25 2g2k n ASN 47 Cb 0.33 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.32 2g2k n ASN 47 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2g2k s ARG 48 N 0.00 3.63 0.52 1.20 3.00 -1.24 -4.94 118.95 121.12 2g2k s ARG 48 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 55.73 55.53 2g2k s ARG 48 Cb 0.00 -2.67 -0.07 0.00 0.00 0.00 0.00 34.95 32.21 2g2k s ARG 48 CO 0.00 0.24 1.07 -1.25 0.00 0.00 0.00 175.30 175.36 2g2k s PRO 49 N -3.45 3.60 0.45 3.54 0.04 -1.26 -4.32 135.00 133.60 2g2k s PRO 49 Ca 0.44 1.42 0.26 0.00 0.04 0.00 0.00 61.00 63.16 2g2k s PRO 49 Cb -0.11 -2.06 0.87 0.00 0.04 0.00 0.00 34.50 33.24 2g2k s PRO 49 CO 0.29 -0.61 1.80 -1.00 0.04 0.00 0.00 177.00 177.52 2g2k h PRO 50 N 1.31 0.00 0.00 0.56 0.13 -1.89 -2.97 132.00 129.14 2g2k h PRO 50 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2g2k h PRO 50 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2g2k h PRO 50 CO 0.58 0.16 -0.05 1.79 -0.23 0.00 0.00 178.00 180.25 2g2k h THR 51 N 0.00 0.20 0.01 1.56 1.35 -1.98 -1.82 112.91 112.23 2g2k h THR 51 Ca -0.00 -0.43 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2g2k h THR 51 Cb 0.78 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2g2k h THR 51 CO 0.02 0.05 -0.00 0.22 -0.25 0.00 0.00 175.52 175.56 2g2k h TYR 52 N 0.00 -0.01 0.00 4.73 5.03 -1.92 -3.31 116.97 121.49 2g2k h TYR 52 Ca -0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2g2k h TYR 52 Cb 0.34 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.63 2g2k h TYR 52 CO 0.00 0.33 0.00 -0.35 -1.32 0.00 0.00 178.16 176.82 2g2k n PRO 53 N -4.73 0.67 0.13 1.82 -0.04 -1.20 -3.17 135.00 128.48 2g2k n PRO 53 Ca -0.03 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.42 2g2k n PRO 53 Cb 0.16 -1.38 0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2g2k n PRO 53 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2g2k h THR 54 N 0.00 1.33 -0.09 0.52 1.35 -1.41 -3.09 112.91 111.53 2g2k h THR 54 Ca 0.00 -2.26 -0.10 0.00 -0.55 0.00 0.00 66.41 63.50 2g2k h THR 54 Cb 0.00 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2g2k h THR 54 CO 0.00 0.62 -0.32 0.11 -0.25 0.00 0.00 175.52 175.68 2g2k h LYS 55 N 0.00 0.37 0.07 4.72 1.79 -1.75 -2.66 116.57 119.10 2g2k h LYS 55 Ca -0.01 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2g2k h LYS 55 Cb 1.21 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 2g2k h LYS 55 CO 0.08 0.91 -0.07 -0.92 -1.08 0.00 0.00 179.45 178.37 2g2k h TYR 56 N -0.10 -0.18 -0.66 -1.35 3.20 -1.77 -1.21 116.97 114.91 2g2k h TYR 56 Ca -0.02 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.90 2g2k h TYR 56 Cb 0.96 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.24 2g2k h TYR 56 CO 0.12 -0.11 0.38 0.74 -1.64 0.00 0.00 178.16 177.65 2g2k h PHE 57 N -0.15 0.70 -0.51 -3.82 0.04 -1.62 -1.03 116.94 110.54 2g2k h PHE 57 Ca 0.01 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2g2k h PHE 57 Cb 0.15 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 2g2k h PHE 57 CO -0.11 0.36 0.34 0.78 -0.60 0.00 0.00 178.31 179.08 2g2k h GLY 58 N 0.72 0.72 0.86 -1.45 0.00 -1.09 -1.71 103.07 101.11 2g2k h GLY 58 Ca 0.28 -0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.42 2g2k h GLY 58 CO -0.15 0.27 0.54 0.00 0.00 0.00 0.00 176.54 177.19 2g2k h GLU 60 N 0.84 0.05 0.00 0.00 3.07 -1.24 -2.92 114.58 114.39 2g2k h GLU 60 Ca 0.37 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 2g2k h GLU 60 Cb 0.34 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2g2k h GLU 60 CO -0.14 0.47 0.00 1.47 -1.40 0.00 0.00 179.01 179.41 2g2k n LEU 61 N -4.84 0.00 0.00 1.33 -0.00 -0.95 -4.81 117.00 107.72 2g2k n LEU 61 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 2g2k n LEU 61 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2g2k n LEU 61 CO 0.34 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.34 2g2k n GLY 62 N 0.43 0.35 3.64 1.47 0.00 -0.41 -4.96 105.19 105.71 2g2k n GLY 62 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2g2k n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g2k s ALA 63 N -1.94 3.22 0.00 4.61 0.00 0.00 -4.95 121.76 122.69 2g2k s ALA 63 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.08 2g2k s ALA 63 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2g2k s ALA 63 CO 0.00 0.11 0.00 0.00 0.00 0.00 0.00 175.76 175.87 2g2k n GLN 64 N -0.95 0.00 -4.04 0.00 0.00 -1.26 -3.02 117.38 108.10 2g2k n GLN 64 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 57.00 56.86 2g2k n GLN 64 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.79 2g2k n GLN 64 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2g2k s THR 65 N 3.08 0.00 -0.05 -0.39 -4.23 -1.26 -3.46 115.64 109.32 2g2k s THR 65 Ca 0.00 -1.53 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 2g2k s THR 65 Cb 0.00 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.56 2g2k s THR 65 CO 0.00 0.00 0.14 -1.58 -0.54 0.00 0.00 174.62 172.64 2g2k s GLN 66 N -3.98 0.16 0.01 3.99 -0.44 0.53 -4.74 119.66 115.19 2g2k s GLN 66 Ca 0.26 0.20 0.06 0.00 -2.50 0.00 0.00 55.36 53.38 2g2k s GLN 66 Cb 0.01 0.07 -0.02 0.00 -1.64 0.00 0.00 33.01 31.43 2g2k s GLN 66 CO 0.10 -0.03 -0.18 -0.06 0.50 0.00 0.00 175.29 175.63 2g2k s PHE 67 N 0.13 1.58 -0.19 1.67 0.08 -1.26 -0.94 117.98 119.04 2g2k s PHE 67 Ca -0.00 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.74 2g2k s PHE 67 Cb -0.01 -0.98 0.03 0.00 -0.57 0.00 0.00 43.02 41.48 2g2k s PHE 67 CO -0.00 0.01 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.46 2g2k s ASP 68 N -0.70 3.33 -0.08 1.36 1.01 -0.30 -4.98 116.67 116.31 2g2k s ASP 68 Ca 0.06 -0.79 -0.04 0.00 0.71 0.00 0.00 52.55 52.50 2g2k s ASP 68 Cb -0.07 -1.41 -0.01 0.00 1.01 0.00 0.00 42.92 42.44 2g2k s ASP 68 CO 0.00 -0.06 -0.07 0.58 0.21 0.00 0.00 175.17 175.83 2g2k h VAL 69 N 6.17 0.00 0.00 -1.27 2.07 -1.94 1.11 116.25 122.39 2g2k h VAL 69 Ca -0.37 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2g2k h VAL 69 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2g2k h VAL 69 CO 0.57 0.00 0.14 0.07 0.02 0.00 0.00 177.57 178.37 2g2k h LYS 70 N -0.64 0.00 0.00 1.57 2.10 -1.99 -0.38 116.57 117.23 2g2k h LYS 70 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.36 2g2k h LYS 70 Cb 0.20 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.47 2g2k h LYS 70 CO 0.00 0.00 -2.11 -1.71 -2.00 0.00 0.00 179.45 173.63 2g2k n ASN 71 N -2.47 0.99 -0.46 7.07 5.15 -1.25 -4.98 115.26 119.32 2g2k n ASN 71 Ca -0.02 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.90 2g2k n ASN 71 Cb 0.18 0.91 -0.03 0.00 -0.53 0.00 0.00 39.78 40.32 2g2k n ASN 71 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2g2k n ASP 72 N -2.60 -4.42 -4.37 1.20 8.00 0.38 -4.98 116.55 109.76 2g2k n ASP 72 Ca -0.26 0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.06 2g2k n ASP 72 Cb 1.02 -2.44 -0.14 0.00 -0.02 0.00 0.00 41.12 39.54 2g2k n ASP 72 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2g2k s ARG 73 N -2.07 3.40 -0.10 -1.24 3.52 -1.04 -4.91 118.95 116.51 2g2k s ARG 73 Ca 0.00 -0.68 0.01 0.00 -0.13 0.00 0.00 55.73 54.93 2g2k s ARG 73 Cb 0.00 -2.65 -0.02 0.00 -1.56 0.00 0.00 34.95 30.72 2g2k s ARG 73 CO 0.00 0.21 -0.11 0.71 -0.81 0.00 0.00 175.30 175.30 2g2k s TYR 74 N 0.36 2.82 0.07 5.12 2.02 -1.26 -1.15 117.35 125.32 2g2k s TYR 74 Ca -0.11 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.30 2g2k s TYR 74 Cb -0.16 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 2g2k s TYR 74 CO 0.05 0.01 -0.15 -1.50 -1.57 0.00 0.00 175.55 172.39 2g2k s ILE 75 N -0.15 1.23 -0.07 2.71 -1.16 -0.12 -2.78 121.20 120.86 2g2k s ILE 75 Ca 0.00 -1.26 0.02 0.00 -0.51 0.00 0.00 60.65 58.90 2g2k s ILE 75 Cb -0.13 -1.14 -0.02 0.00 0.61 0.00 0.00 42.46 41.77 2g2k s ILE 75 CO 0.03 -0.13 -0.13 -0.69 -2.81 0.00 0.00 174.94 171.21 2g2k s VAL 76 N -1.13 3.15 0.41 4.00 1.01 0.42 0.20 120.40 128.46 2g2k s VAL 76 Ca 0.01 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 2g2k s VAL 76 Cb -0.09 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.93 2g2k s VAL 76 CO 0.02 0.58 1.47 0.59 0.00 0.00 0.00 175.10 177.76 2g2k n ASN 77 N 2.54 3.64 0.00 3.32 3.02 -1.22 -0.11 115.26 126.45 2g2k n ASN 77 Ca -0.17 1.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 2g2k n ASN 77 Cb 0.52 -1.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.08 2g2k n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g2k n GLY 78 N 0.49 0.65 3.58 7.41 0.00 -0.35 -4.46 105.19 112.51 2g2k n GLY 78 Ca 0.03 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 2g2k n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g2k s SER 79 N -1.22 5.79 -0.13 1.61 1.04 -1.25 -0.64 113.70 118.92 2g2k s SER 79 Ca 0.00 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.37 2g2k s SER 79 Cb 0.00 -2.06 0.06 0.00 0.10 0.00 0.00 66.02 64.12 2g2k s SER 79 CO 0.00 0.00 0.13 -1.00 0.98 0.00 0.00 173.24 173.35 2g2k s HIS 80 N 1.43 -0.04 0.39 5.02 3.76 -1.26 -5.00 115.29 119.58 2g2k s HIS 80 Ca 0.07 0.18 -0.15 0.00 -0.15 0.00 0.00 55.06 55.01 2g2k s HIS 80 Cb -0.15 -0.46 -0.08 0.00 1.11 0.00 0.00 32.58 33.00 2g2k s HIS 80 CO 0.07 -0.40 0.81 -1.83 -0.85 0.00 0.00 174.74 172.54 2g2k s GLU 81 N 2.23 3.97 0.31 1.40 1.03 -1.26 -4.65 118.70 121.73 2g2k s GLU 81 Ca 0.04 0.73 0.06 0.00 0.03 0.00 0.00 54.97 55.82 2g2k s GLU 81 Cb -0.14 -2.34 0.72 0.00 -0.80 0.00 0.00 34.13 31.57 2g2k s GLU 81 CO -0.07 0.02 1.81 0.00 -1.33 0.00 0.00 175.26 175.68 2g2k h ALA 82 N 1.76 1.69 -0.29 -0.84 0.00 -1.85 0.47 119.26 120.20 2g2k h ALA 82 Ca -0.48 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 2g2k h ALA 82 Cb 1.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2g2k h ALA 82 CO 0.64 -0.01 -0.06 -0.97 0.00 0.00 0.00 179.25 178.85 2g2k h ASN 83 N 0.80 0.44 -0.03 0.00 -0.73 -1.92 -0.67 115.58 113.47 2g2k h ASN 83 Ca 0.54 -0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.58 2g2k h ASN 83 Cb 0.79 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.27 2g2k h ASN 83 CO -0.32 0.56 -0.13 0.50 -0.37 0.00 0.00 177.43 177.67 2g2k h LYS 84 N 0.44 0.14 -0.32 6.67 1.63 -1.30 -2.17 116.57 121.66 2g2k h LYS 84 Ca 0.09 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 2g2k h LYS 84 Cb 0.39 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 2g2k h LYS 84 CO 0.02 0.75 0.03 -0.07 -3.45 0.00 0.00 179.45 176.72 2g2k h LEU 85 N -0.43 0.54 -1.31 5.20 3.38 -1.29 0.13 115.31 121.52 2g2k h LEU 85 Ca -0.01 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.71 2g2k h LEU 85 Cb 0.77 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2g2k h LEU 85 CO 0.03 0.69 0.49 1.56 0.09 0.00 0.00 178.44 181.29 2g2k h GLN 86 N 0.37 0.88 -0.25 1.13 4.20 -1.20 0.17 115.11 120.41 2g2k h GLN 86 Ca 0.09 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 2g2k h GLN 86 Cb 0.40 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2g2k h GLN 86 CO 0.01 0.58 -0.43 -0.44 -0.67 0.00 0.00 178.83 177.89 2g2k h ASP 87 N 0.91 0.66 0.02 1.46 5.19 -0.88 0.29 116.42 124.07 2g2k h ASP 87 Ca 0.29 -0.30 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2g2k h ASP 87 Cb 0.04 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.36 2g2k h ASP 87 CO -0.08 1.00 -0.01 -0.03 -3.12 0.00 0.00 179.24 177.00 2g2k h MET 88 N 0.50 -0.03 -0.03 3.56 4.05 0.92 -0.83 114.93 123.07 2g2k h MET 88 Ca 0.04 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 2g2k h MET 88 Cb 0.95 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.75 2g2k h MET 88 CO 0.09 0.40 -0.18 1.25 0.23 0.00 0.00 176.91 178.69 2g2k h LEU 89 N -0.46 0.05 -1.16 3.39 6.46 -0.75 -1.78 115.31 121.05 2g2k h LEU 89 Ca -0.00 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 2g2k h LEU 89 Cb 0.44 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 2g2k h LEU 89 CO 0.01 0.24 0.10 0.44 -0.62 0.00 0.00 178.44 178.60 2g2k h ASP 90 N 0.05 0.63 -0.40 1.25 5.19 0.05 -2.04 116.42 121.15 2g2k h ASP 90 Ca 0.01 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 2g2k h ASP 90 Cb 0.36 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 2g2k h ASP 90 CO 0.02 0.64 0.22 1.23 -3.12 0.00 0.00 179.24 178.24 2g2k h GLY 91 N 0.88 0.59 0.58 2.75 0.00 -0.23 1.00 103.07 108.64 2g2k h GLY 91 Ca 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2g2k h GLY 91 CO -0.00 0.25 -0.06 0.74 0.00 0.00 0.00 176.54 177.47 2g2k h PHE 92 N 0.51 -0.15 -0.30 5.60 0.04 -1.53 -3.17 116.94 117.94 2g2k h PHE 92 Ca 0.14 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 2g2k h PHE 92 Cb 0.05 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 2g2k h PHE 92 CO -0.03 0.24 -0.11 -0.84 -0.60 0.00 0.00 178.31 176.97 2g2k h ILE 93 N -0.58 1.23 -0.36 -0.55 -0.00 -1.32 -2.61 117.51 113.32 2g2k h ILE 93 Ca -0.02 -1.00 0.10 0.00 -0.00 0.00 0.00 64.86 63.95 2g2k h ILE 93 Cb 0.46 1.12 -0.01 0.00 -0.00 0.00 0.00 36.82 38.39 2g2k h ILE 93 CO 0.03 0.33 0.31 0.50 -0.00 0.00 0.00 178.15 179.32 2g2k h LYS 94 N 0.47 0.00 -0.63 0.16 3.64 0.11 1.05 116.57 121.37 2g2k h LYS 94 Ca 0.09 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2g2k h LYS 94 Cb 0.48 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2g2k h LYS 94 CO 0.03 0.00 0.33 0.87 -2.27 0.00 0.00 179.45 178.41 2g2k h LYS 95 N 0.00 0.89 0.00 1.90 1.79 -1.45 -3.34 116.57 116.35 2g2k h LYS 95 Ca 0.17 -0.11 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 2g2k h LYS 95 Cb 0.79 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 2g2k h LYS 95 CO -0.00 0.69 -1.22 1.97 -1.08 0.00 0.00 179.45 179.80 2g2k n PHE 96 N -4.53 0.00 0.24 -1.35 -1.74 -0.75 -4.77 117.46 104.55 2g2k n PHE 96 Ca 0.04 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.76 2g2k n PHE 96 Cb 0.10 -0.15 -0.10 0.00 1.52 0.00 0.00 39.48 40.85 2g2k n PHE 96 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 2g2k h VAL 97 N 0.00 0.00 0.00 1.97 2.07 0.97 -2.98 116.25 118.29 2g2k h VAL 97 Ca -0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2g2k h VAL 97 Cb 1.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2g2k h VAL 97 CO 0.00 0.00 1.00 0.00 0.02 0.00 0.00 177.57 178.59 2g2k n LEU 98 N -5.54 0.65 -4.87 2.57 -0.00 -1.25 -1.50 117.00 107.05 2g2k n LEU 98 Ca -0.11 -1.12 -0.30 0.00 -0.00 0.00 0.00 56.01 54.48 2g2k n LEU 98 Cb 0.45 -0.45 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2g2k n LEU 98 CO 0.23 -0.78 0.49 0.00 -0.00 0.00 0.00 177.39 177.33 2g2k n PRO 100 N -1.49 0.05 -0.13 0.00 -0.04 -1.26 -0.03 135.00 132.09 2g2k n PRO 100 Ca 0.03 0.31 0.01 0.00 -0.04 0.00 0.00 63.50 63.81 2g2k n PRO 100 Cb 0.54 -1.60 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 2g2k n PRO 100 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2g2k n GLU 101 N -1.69 0.69 0.00 0.54 0.28 -1.26 -4.84 120.64 114.35 2g2k n GLU 101 Ca 0.03 -1.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.00 2g2k n GLU 101 Cb 0.17 -0.70 0.00 0.00 1.43 0.00 0.00 31.44 32.35 2g2k n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2g2k n GLU 103 N -0.47 -0.03 -0.33 0.00 0.00 0.96 -1.26 120.64 119.50 2g2k n GLU 103 Ca 0.00 0.92 -0.09 0.00 0.00 0.00 0.00 57.16 57.99 2g2k n GLU 103 Cb 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 31.44 29.98 2g2k n GLU 103 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2g2k n ASN 104 N -3.06 -0.84 -4.78 4.31 4.13 -1.26 -4.40 115.26 109.36 2g2k n ASN 104 Ca 0.00 1.61 -0.35 0.00 1.68 0.00 0.00 54.58 57.53 2g2k n ASN 104 Cb 0.02 -0.28 -0.01 0.00 -1.54 0.00 0.00 39.78 37.97 2g2k n ASN 104 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2g2k s PRO 105 N -5.01 3.49 0.09 3.52 0.04 -0.39 -4.97 135.00 131.78 2g2k s PRO 105 Ca -0.10 1.53 -0.31 0.00 0.04 0.00 0.00 61.00 62.17 2g2k s PRO 105 Cb 0.09 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 2g2k s PRO 105 CO 0.49 -0.72 1.39 -2.00 0.04 0.00 0.00 177.00 176.21 2g2k s GLU 106 N -3.27 4.31 0.10 4.56 2.12 -1.26 -4.76 118.70 120.50 2g2k s GLU 106 Ca 0.71 2.06 0.06 0.00 0.36 0.00 0.00 54.97 58.15 2g2k s GLU 106 Cb -0.22 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2g2k s GLU 106 CO 0.25 -0.46 -0.03 0.95 -0.54 0.00 0.00 175.26 175.43 2g2k s THR 107 N 1.35 3.82 0.23 -1.70 -4.23 -1.26 -3.44 115.64 110.41 2g2k s THR 107 Ca 0.65 -1.10 0.11 0.00 -1.18 0.00 0.00 61.69 60.17 2g2k s THR 107 Cb -0.36 -2.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.62 2g2k s THR 107 CO 0.30 0.10 -0.21 1.51 -0.54 0.00 0.00 174.62 175.78 2g2k s ASP 108 N -2.32 3.37 -0.20 3.99 1.47 -1.24 -4.96 116.67 116.77 2g2k s ASP 108 Ca 0.25 -0.96 -0.01 0.00 1.18 0.00 0.00 52.55 53.01 2g2k s ASP 108 Cb -0.11 -0.26 0.06 0.00 -0.34 0.00 0.00 42.92 42.26 2g2k s ASP 108 CO 0.17 0.04 -0.03 -0.22 0.68 0.00 0.00 175.17 175.82 2g2k s LEU 109 N -3.14 1.89 -0.16 2.11 1.98 -1.26 -3.70 118.68 116.41 2g2k s LEU 109 Ca 0.25 -0.93 0.00 0.00 -2.89 0.00 0.00 54.13 50.56 2g2k s LEU 109 Cb -0.06 -0.93 0.03 0.00 0.66 0.00 0.00 46.19 45.89 2g2k s LEU 109 CO 0.12 -0.24 -0.14 -1.38 -1.89 0.00 0.00 176.35 172.82 2g2k s HIS 110 N 1.60 2.23 -0.18 5.38 -3.43 -0.62 -5.02 115.29 115.25 2g2k s HIS 110 Ca -0.03 -1.29 -0.07 0.00 -0.80 0.00 0.00 55.06 52.87 2g2k s HIS 110 Cb -0.17 -1.61 -0.04 0.00 -1.43 0.00 0.00 32.58 29.32 2g2k s HIS 110 CO -0.07 -0.69 0.04 0.54 -2.00 0.00 0.00 174.74 172.57 2g2k s VAL 111 N 1.47 4.61 -0.25 -5.38 0.11 -1.26 -2.04 120.40 117.65 2g2k s VAL 111 Ca 0.04 -0.10 -0.12 0.00 -2.93 0.00 0.00 61.98 58.88 2g2k s VAL 111 Cb -0.13 -3.07 -0.05 0.00 -1.53 0.00 0.00 36.38 31.60 2g2k s VAL 111 CO -0.10 0.46 0.22 0.20 -3.33 0.00 0.00 175.10 172.55 2g2k s ASN 112 N 0.40 6.13 0.35 3.54 0.01 -0.98 -4.95 114.94 119.43 2g2k s ASN 112 Ca 0.02 0.13 0.17 0.00 -0.71 0.00 0.00 52.86 52.47 2g2k s ASN 112 Cb -0.13 -2.13 0.56 0.00 0.41 0.00 0.00 41.25 39.96 2g2k s ASN 112 CO 0.01 -0.01 1.68 1.55 -1.51 0.00 0.00 177.10 178.81 2g2k h PRO 113 N 7.85 0.00 -0.78 -0.60 0.13 -1.96 0.62 132.00 137.26 2g2k h PRO 113 Ca -0.36 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.72 2g2k h PRO 113 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2g2k h PRO 113 CO 0.63 0.43 0.28 -0.22 -0.23 0.00 0.00 178.00 178.89 2g2k h LYS 114 N 0.00 1.18 -0.01 0.86 3.64 -1.98 -3.14 116.57 117.12 2g2k h LYS 114 Ca -0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2g2k h LYS 114 Cb 0.99 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2g2k h LYS 114 CO 0.06 0.98 -0.17 0.36 -2.27 0.00 0.00 179.45 178.40 2g2k n LYS 115 N -4.26 1.75 -3.69 1.90 2.85 -1.19 -5.01 118.16 110.50 2g2k n LYS 115 Ca 0.07 -0.72 -0.24 0.00 -1.05 0.00 0.00 58.31 56.36 2g2k n LYS 115 Cb 0.21 -1.12 0.03 0.00 -0.65 0.00 0.00 35.03 33.50 2g2k n LYS 115 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2g2k n GLN 116 N -0.07 -3.46 -4.13 -1.58 6.02 0.21 -4.99 117.38 109.38 2g2k n GLN 116 Ca 0.05 0.57 -0.14 0.00 -0.01 0.00 0.00 57.00 57.46 2g2k n GLN 116 Cb 0.23 -4.86 -0.11 0.00 1.02 0.00 0.00 30.24 26.52 2g2k n GLN 116 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2g2k s THR 117 N -3.64 0.79 -0.22 5.09 -4.23 -1.09 -4.98 115.64 107.36 2g2k s THR 117 Ca 0.16 -1.40 -0.09 0.00 -1.18 0.00 0.00 61.69 59.18 2g2k s THR 117 Cb -0.05 -1.06 -0.05 0.00 1.34 0.00 0.00 72.50 72.69 2g2k s THR 117 CO 0.83 -0.47 0.12 -0.63 -0.54 0.00 0.00 174.62 173.94 2g2k s ILE 118 N -1.96 5.12 0.06 2.99 -1.09 -1.26 -2.33 121.20 122.74 2g2k s ILE 118 Ca -0.01 0.09 0.07 0.00 -2.23 0.00 0.00 60.65 58.57 2g2k s ILE 118 Cb -0.06 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.43 2g2k s ILE 118 CO 0.00 0.38 -0.19 -0.83 -1.23 0.00 0.00 174.94 173.07 2g2k s GLY 119 N 0.88 1.08 0.02 6.18 0.00 -0.87 -2.97 107.32 111.65 2g2k s GLY 119 Ca 0.06 -1.06 -0.06 0.00 0.00 0.00 0.00 44.72 43.66 2g2k s GLY 119 CO 0.03 -1.02 0.11 0.21 0.00 0.00 0.00 173.10 172.43 2g2k s ASN 120 N -1.40 0.11 -0.17 1.64 3.84 -0.30 -1.59 114.94 117.08 2g2k s ASN 120 Ca 0.06 -0.40 -0.00 0.00 0.21 0.00 0.00 52.86 52.73 2g2k s ASN 120 Cb -0.09 0.22 0.00 0.00 -0.55 0.00 0.00 41.25 40.83 2g2k s ASN 120 CO 0.02 -0.45 -0.15 -0.55 -2.79 0.00 0.00 177.10 173.18 2g2k s SER 121 N -1.82 3.61 -0.40 -4.21 0.15 -1.24 0.20 113.70 109.99 2g2k s SER 121 Ca -0.09 -0.50 -0.22 0.00 0.70 0.00 0.00 55.95 55.84 2g2k s SER 121 Cb -0.04 -1.56 0.02 0.00 -1.71 0.00 0.00 66.02 62.72 2g2k s SER 121 CO -0.02 0.05 0.71 0.00 1.20 0.00 0.00 173.24 175.18 2g2k h LYS 123 N 8.71 0.00 -0.40 0.00 1.79 -1.85 1.80 116.57 126.62 2g2k h LYS 123 Ca -0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2g2k h LYS 123 Cb 1.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 2g2k h LYS 123 CO 0.90 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 179.27 2g2k n ALA 124 N -1.97 2.44 -0.63 3.86 0.00 -1.26 -4.89 120.51 118.06 2g2k n ALA 124 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2g2k n ALA 124 Cb 0.68 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2g2k n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g2k n GLY 126 N -2.00 -1.74 0.00 0.00 0.00 -1.26 -4.16 105.19 96.03 2g2k n GLY 126 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2g2k n GLY 126 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2g2k n TYR 127 N -4.34 0.00 -1.56 1.61 0.18 -1.26 -5.06 117.16 106.73 2g2k n TYR 127 Ca 0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.79 2g2k n TYR 127 Cb 0.13 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.09 2g2k n TYR 127 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2g2k n ARG 128 N -0.94 -0.33 0.00 -3.48 1.74 -1.26 -4.60 116.66 107.78 2g2k n ARG 128 Ca 0.00 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2g2k n ARG 128 Cb 0.10 -0.41 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 2g2k n ARG 128 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g2k n GLY 129 N 1.25 -1.11 3.34 -0.13 0.00 0.53 -4.86 105.19 104.20 2g2k n GLY 129 Ca 0.00 0.37 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 2g2k n GLY 129 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2g2k s MET 130 N 0.00 1.88 -0.30 1.61 1.75 -1.26 -1.14 119.30 121.84 2g2k s MET 130 Ca 0.00 -1.07 -0.03 0.00 -1.25 0.00 0.00 55.69 53.35 2g2k s MET 130 Cb 0.00 -2.00 0.04 0.00 2.84 0.00 0.00 34.83 35.72 2g2k s MET 130 CO 0.00 0.52 0.01 -1.17 -0.65 0.00 0.00 175.02 173.73 2g2k s LEU 131 N -1.09 3.86 0.00 4.11 2.96 -1.16 -4.57 118.68 122.79 2g2k s LEU 131 Ca 0.11 -1.18 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 2g2k s LEU 131 Cb -0.10 -1.74 0.00 0.00 0.50 0.00 0.00 46.19 44.85 2g2k s LEU 131 CO 0.01 -0.25 0.00 -0.90 -1.32 0.00 0.00 176.35 173.89 2g2k n ASP 132 N 4.67 0.00 -0.00 3.68 5.75 -1.26 -4.85 116.55 124.53 2g2k n ASP 132 Ca -0.14 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.72 2g2k n ASP 132 Cb 0.44 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.42 2g2k n ASP 132 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2g2k n THR 133 N 0.00 0.00 -0.83 2.12 -2.24 -1.26 -5.08 114.28 106.99 2g2k n THR 133 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2g2k n THR 133 Cb 0.00 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2g2k n THR 133 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2g2k n HIS 134 N -1.67 0.00 -1.55 4.78 -0.00 -1.26 -5.04 115.22 110.48 2g2k n HIS 134 Ca 0.01 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 2g2k n HIS 134 Cb 0.33 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.11 2g2k n HIS 134 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2g2k n HIS 135 N 3.44 0.99 -4.62 1.57 -0.00 -1.26 -4.84 115.22 110.49 2g2k n HIS 135 Ca 0.00 -0.07 -0.28 0.00 0.46 0.00 0.00 57.72 57.83 2g2k n HIS 135 Cb 0.00 -2.46 -0.07 0.00 -0.12 0.00 0.00 29.99 27.34 2g2k n HIS 135 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2g2k n LYS 136 N 8.31 0.71 0.00 1.57 5.02 -1.26 -5.00 118.16 127.51 2g2k n LYS 136 Ca 0.45 -3.49 0.08 0.00 -2.02 0.00 0.00 58.31 53.33 2g2k n LYS 136 Cb 0.43 1.36 0.42 0.00 -0.02 0.00 0.00 35.03 37.22 2g2k n LYS 136 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2g2k n LEU 137 N 0.00 0.00 -0.10 -0.35 -0.00 -1.26 -3.35 117.00 111.94 2g2k n LEU 137 Ca -0.14 0.20 -0.06 0.00 -0.00 0.00 0.00 56.01 56.01 2g2k n LEU 137 Cb 0.61 -0.20 0.01 0.00 -0.00 0.00 0.00 43.42 43.84 2g2k n LEU 137 CO 0.33 -0.10 0.91 0.00 -0.00 0.00 0.00 177.39 178.53 2g2k h THR 139 N 0.21 1.27 -0.16 0.00 1.35 -1.91 0.80 112.91 114.46 2g2k h THR 139 Ca 0.16 -1.46 0.01 0.00 -0.55 0.00 0.00 66.41 64.57 2g2k h THR 139 Cb 0.17 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 2g2k h THR 139 CO -0.20 0.49 0.08 0.15 -0.25 0.00 0.00 175.52 175.79 2g2k h PHE 140 N 0.76 0.15 -0.33 4.73 3.57 -1.57 -1.61 116.94 122.64 2g2k h PHE 140 Ca 0.08 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 2g2k h PHE 140 Cb 0.87 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 2g2k h PHE 140 CO 0.05 0.09 -0.24 -0.84 -2.23 0.00 0.00 178.31 175.14 2g2k h ILE 141 N 0.17 1.29 -0.42 1.41 3.07 -0.92 -2.65 117.51 119.47 2g2k h ILE 141 Ca 0.06 -1.39 0.12 0.00 1.55 0.00 0.00 64.86 65.20 2g2k h ILE 141 Cb 0.01 1.45 -0.02 0.00 -0.27 0.00 0.00 36.82 38.00 2g2k h ILE 141 CO -0.04 0.45 0.42 0.25 -1.05 0.00 0.00 178.15 178.18 2g2k h LEU 142 N 0.52 0.00 0.00 0.16 5.85 -0.49 0.31 115.31 121.66 2g2k h LEU 142 Ca 0.06 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2g2k h LEU 142 Cb 0.80 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2g2k h LEU 142 CO 0.07 0.00 -0.95 0.50 -0.34 0.00 0.00 178.44 177.72 2g2k h LYS 143 N 0.00 0.00 -3.24 1.25 3.64 -0.96 -3.47 116.57 113.78 2g2k h LYS 143 Ca 0.20 0.00 0.34 0.00 -1.27 0.00 0.00 60.65 59.92 2g2k h LYS 143 Cb 1.03 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.69 2g2k h LYS 143 CO -0.00 0.13 -1.03 0.09 -2.27 0.00 0.00 179.45 176.38 2g2k n ASN 144 N -2.85 -7.81 -4.62 4.20 3.02 0.11 -4.60 115.26 102.71 2g2k n ASN 144 Ca -0.02 1.17 -0.43 0.00 -0.03 0.00 0.00 54.58 55.27 2g2k n ASN 144 Cb 0.65 -4.55 -0.02 0.00 -0.61 0.00 0.00 39.78 35.25 2g2k n ASN 144 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2g2k s PRO 145 N -3.70 3.74 1.07 3.52 0.04 -1.26 -4.98 135.00 133.43 2g2k s PRO 145 Ca 0.00 1.34 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 2g2k s PRO 145 Cb 0.00 -4.00 0.23 0.00 0.04 0.00 0.00 34.50 30.77 2g2k s PRO 145 CO 0.00 -1.35 1.15 -1.25 0.04 0.00 0.00 177.00 175.59 2g2k s PRO 146 N 4.66 -0.18 -0.30 0.56 0.04 -1.26 -5.09 135.00 133.43 2g2k s PRO 146 Ca 0.65 0.03 -0.26 0.00 0.04 0.00 0.00 61.00 61.46 2g2k s PRO 146 Cb -0.19 -1.71 0.19 0.00 0.04 0.00 0.00 34.50 32.83 2g2k s PRO 146 CO 0.28 -3.04 1.43 -2.00 0.04 0.00 0.00 177.00 173.72 2g2k s GLU 147 N -5.40 0.05 -0.11 4.56 2.12 -1.26 -5.08 118.70 113.59 2g2k s GLU 147 Ca 0.69 0.05 -0.01 0.00 0.36 0.00 0.00 54.97 56.06 2g2k s GLU 147 Cb -0.11 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.31 2g2k s GLU 147 CO 0.55 -0.01 0.02 0.09 -0.54 0.00 0.00 175.26 175.38 2g2k n ASN 148 N 1.38 -6.61 -3.28 -1.70 3.02 -1.26 -5.00 115.26 101.81 2g2k n ASN 148 Ca -0.08 0.86 -0.08 0.00 -0.03 0.00 0.00 54.58 55.25 2g2k n ASN 148 Cb 0.57 -2.98 -0.05 0.00 -0.61 0.00 0.00 39.78 36.71 2g2k n ASN 148 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2g2k s SER 149 N -1.01 -0.08 0.00 6.41 0.01 -1.26 -4.97 113.70 112.80 2g2k s SER 149 Ca -0.03 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.32 2g2k s SER 149 Cb 0.00 1.24 0.00 0.00 0.21 0.00 0.00 66.02 67.47 2g2k s SER 149 CO 0.30 -0.26 0.21 -0.67 0.41 0.00 0.00 173.24 173.23 2g2k n ASP 150 N 4.65 0.42 -3.35 2.44 -0.08 -1.26 -5.06 116.55 114.32 2g2k n ASP 150 Ca 0.08 -0.75 -0.09 0.00 -1.51 0.00 0.00 54.79 52.52 2g2k n ASP 150 Cb 0.51 0.27 -0.01 0.00 2.34 0.00 0.00 41.12 44.22 2g2k n ASP 150 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2g2k s SER 151 N -0.27 0.08 -1.27 1.67 0.15 -1.26 -4.92 113.70 107.89 2g2k s SER 151 Ca 0.00 -1.04 -0.09 0.00 0.70 0.00 0.00 55.95 55.52 2g2k s SER 151 Cb 0.00 0.76 0.07 0.00 -1.71 0.00 0.00 66.02 65.13 2g2k s SER 151 CO 0.00 -1.47 0.46 0.61 1.20 0.00 0.00 173.24 174.04 2g2k n GLY 152 N -0.50 -0.49 0.38 9.45 0.00 -1.26 -4.86 105.19 107.92 2g2k n GLY 152 Ca -0.05 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2g2k n GLY 152 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2g2k h THR 153 N -0.91 0.00 -0.83 2.61 2.02 -1.97 -3.41 112.91 110.41 2g2k h THR 153 Ca -0.42 -0.22 -0.34 0.00 0.77 0.00 0.00 66.41 66.20 2g2k h THR 153 Cb 1.28 0.00 -0.27 0.00 -1.74 0.00 0.00 68.15 67.43 2g2k h THR 153 CO 0.52 0.00 -0.79 0.61 0.37 0.00 0.00 175.52 176.23 2g2k n GLY 154 N -0.79 1.88 3.61 2.16 0.00 -1.26 -5.09 105.19 105.70 2g2k n GLY 154 Ca -0.12 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 2g2k n GLY 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2g2k s LYS 155 N -1.09 3.61 0.00 1.61 2.47 -1.26 -5.29 119.74 119.79 2g2k s LYS 155 Ca 0.29 1.18 0.00 0.00 -1.56 0.00 0.00 55.97 55.88 2g2k s LYS 155 Cb 0.34 -4.04 0.00 0.00 -1.46 0.00 0.00 37.83 32.68 2g2k s LYS 155 CO -0.06 -1.52 0.00 1.63 0.16 0.00 0.00 175.35 175.57