#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 4.05 -4.84 -1.43 2.88 -1.26 -5.07 113.62 107.96 2g2k n SER 2 Ca 0.00 -3.27 -0.34 0.00 -1.33 0.00 0.00 58.87 53.93 2g2k n SER 2 Cb 0.00 -0.90 -0.06 0.00 -0.75 0.00 0.00 64.21 62.50 2g2k n SER 2 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2g2k s VAL 3 N -1.86 4.74 0.43 2.46 0.11 -1.26 -5.08 120.40 119.94 2g2k s VAL 3 Ca 0.31 0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 60.23 2g2k s VAL 3 Cb 0.01 -3.70 0.09 0.00 -1.53 0.00 0.00 36.38 31.25 2g2k s VAL 3 CO -0.08 0.03 0.59 0.59 -3.33 0.00 0.00 175.10 172.90 2g2k n ASN 4 N 0.21 0.39 0.06 3.54 4.13 -1.26 -4.90 115.26 117.43 2g2k n ASN 4 Ca -0.00 -1.43 0.06 0.00 1.68 0.00 0.00 54.58 54.89 2g2k n ASN 4 Cb 0.52 -0.42 0.27 0.00 -1.54 0.00 0.00 39.78 38.62 2g2k n ASN 4 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2g2k n VAL 5 N -2.51 1.46 -0.96 2.41 0.31 -1.26 -4.78 118.33 113.00 2g2k n VAL 5 Ca 0.08 0.52 0.00 0.00 -0.01 0.00 0.00 64.34 64.93 2g2k n VAL 5 Cb 0.30 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 2g2k n VAL 5 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2g2k n ASN 6 N -1.81 -4.64 0.13 4.52 4.13 -1.26 -4.82 115.26 111.51 2g2k n ASN 6 Ca 0.00 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 2g2k n ASN 6 Cb 0.05 -2.59 0.22 0.00 -1.54 0.00 0.00 39.78 35.93 2g2k n ASN 6 CO 0.00 0.00 0.00 0.08 0.28 0.00 0.00 177.26 177.62 2g2k h ARG 7 N 0.33 0.09 0.00 3.52 0.11 -1.95 -2.24 114.38 114.24 2g2k h ARG 7 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2g2k h ARG 7 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 2g2k h ARG 7 CO 0.00 0.57 0.00 -1.13 0.10 0.00 0.00 179.97 179.51 2g2k n SER 8 N -3.94 0.00 -0.08 0.08 3.41 -1.26 -3.36 113.62 108.46 2g2k n SER 8 Ca -0.02 0.09 -0.08 0.00 -0.26 0.00 0.00 58.87 58.60 2g2k n SER 8 Cb 0.53 -0.35 -0.14 0.00 -0.26 0.00 0.00 64.21 63.99 2g2k n SER 8 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2g2k n VAL 9 N -1.35 1.17 -1.28 -3.33 0.31 -0.94 -4.97 118.33 107.93 2g2k n VAL 9 Ca 0.11 -0.73 -0.29 0.00 -0.01 0.00 0.00 64.34 63.42 2g2k n VAL 9 Cb 0.25 -0.54 0.18 0.00 -0.91 0.00 0.00 33.84 32.82 2g2k n VAL 9 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 2g2k s MET 10 N -2.42 0.22 -0.09 5.55 1.00 -0.89 -4.88 119.30 117.79 2g2k s MET 10 Ca -0.08 0.27 -0.34 0.00 0.00 0.00 0.00 55.69 55.54 2g2k s MET 10 Cb 0.05 -1.73 -0.12 0.00 0.00 0.00 0.00 34.83 33.03 2g2k s MET 10 CO 0.70 -2.82 1.89 -0.25 0.00 0.00 0.00 175.02 174.54 2g2k n ASP 11 N -4.20 3.46 0.18 3.03 9.92 -1.26 -4.83 116.55 122.85 2g2k n ASP 11 Ca 0.08 0.97 0.08 0.00 -0.53 0.00 0.00 54.79 55.39 2g2k n ASP 11 Cb 0.58 -1.37 0.11 0.00 -0.64 0.00 0.00 41.12 39.80 2g2k n ASP 11 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 2g2k h GLN 12 N 9.25 0.00 -6.69 -1.24 3.07 -1.89 -3.48 115.11 114.13 2g2k h GLN 12 Ca -0.49 0.00 -0.50 0.00 0.09 0.00 0.00 58.65 57.76 2g2k h GLN 12 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 2g2k h GLN 12 CO 0.95 0.19 -0.99 0.34 0.09 0.00 0.00 178.83 179.41 2g2k n PHE 13 N -3.13 -1.84 0.00 0.06 7.35 -1.26 -4.70 117.46 113.93 2g2k n PHE 13 Ca 0.03 0.53 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 2g2k n PHE 13 Cb 0.61 -2.91 0.00 0.00 0.35 0.00 0.00 39.48 37.53 2g2k n PHE 13 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 2g2k n TYR 14 N -3.63 0.00 -2.03 -5.13 9.36 -1.26 -4.99 117.16 109.48 2g2k n TYR 14 Ca -0.20 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 60.99 2g2k n TYR 14 Cb 0.63 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.33 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 -0.06 -2.27 -4.00 2.98 0.63 -1.26 -4.86 116.66 107.82 2g2k n ARG 15 Ca 0.00 0.12 -0.18 0.00 -0.92 0.00 0.00 57.85 56.87 2g2k n ARG 15 Cb 0.00 -4.48 -0.16 0.00 0.45 0.00 0.00 32.46 28.27 2g2k n ARG 15 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2g2k s TYR 16 N -1.82 0.44 0.11 -0.14 1.51 -1.26 -5.15 117.35 111.04 2g2k s TYR 16 Ca 0.00 -0.06 0.09 0.00 -1.01 0.00 0.00 57.07 56.09 2g2k s TYR 16 Cb 0.00 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.34 2g2k s TYR 16 CO 0.00 -0.14 -0.18 0.21 -1.11 0.00 0.00 175.55 174.33 2g2k s LYS 17 N 0.94 1.82 -0.30 -0.62 2.20 -1.26 -5.10 119.74 117.42 2g2k s LYS 17 Ca -0.10 -1.15 0.01 0.00 -0.36 0.00 0.00 55.97 54.36 2g2k s LYS 17 Cb -0.14 -2.13 0.06 0.00 -1.51 0.00 0.00 37.83 34.12 2g2k s LYS 17 CO -0.01 0.49 -0.02 -1.64 -0.36 0.00 0.00 175.35 173.80 2g2k s MET 18 N -2.09 2.21 -1.15 4.03 -1.94 -1.26 -5.02 119.30 114.08 2g2k s MET 18 Ca 0.18 -1.41 -0.21 0.00 -1.71 0.00 0.00 55.69 52.54 2g2k s MET 18 Cb -0.11 -3.10 -0.06 0.00 2.01 0.00 0.00 34.83 33.58 2g2k s MET 18 CO 0.10 -0.67 1.91 -0.35 -0.01 0.00 0.00 175.02 176.00 2g2k n PRO 19 N 4.50 2.04 0.00 2.03 -0.04 -1.26 -4.73 135.00 137.54 2g2k n PRO 19 Ca -0.11 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.82 2g2k n PRO 19 Cb 0.42 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 30.41 2g2k n PRO 19 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2g2k n ARG 20 N 7.87 0.00 -2.79 0.54 1.74 -1.26 -4.66 116.66 118.10 2g2k n ARG 20 Ca 0.47 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 57.14 2g2k n ARG 20 Cb 0.45 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.85 2g2k n ARG 20 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2g2k s LEU 21 N 0.00 4.28 -0.13 0.55 0.20 -1.26 -4.95 118.68 117.37 2g2k s LEU 21 Ca 0.00 1.44 -0.05 0.00 0.69 0.00 0.00 54.13 56.21 2g2k s LEU 21 Cb 0.00 -3.42 -0.04 0.00 -0.43 0.00 0.00 46.19 42.30 2g2k s LEU 21 CO 0.00 -0.33 0.06 -0.63 -0.29 0.00 0.00 176.35 175.16 2g2k s ILE 22 N 1.55 4.80 -0.10 6.68 1.01 -1.26 -4.58 121.20 129.30 2g2k s ILE 22 Ca 0.46 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 61.07 2g2k s ILE 22 Cb -0.19 -3.09 0.01 0.00 0.01 0.00 0.00 42.46 39.21 2g2k s ILE 22 CO 0.20 0.56 -0.15 0.00 0.00 0.00 0.00 174.94 175.55 2g2k s ALA 23 N -0.53 1.62 -0.06 9.38 0.00 -1.26 -4.33 121.76 126.59 2g2k s ALA 23 Ca 0.10 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.43 2g2k s ALA 23 Cb -0.12 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2g2k s ALA 23 CO 0.02 -0.01 -0.18 0.15 0.00 0.00 0.00 175.76 175.74 2g2k s LYS 24 N 0.87 2.54 -0.24 0.00 -0.14 -0.96 -4.72 119.74 117.11 2g2k s LYS 24 Ca -0.09 -0.77 -0.17 0.00 -1.36 0.00 0.00 55.97 53.58 2g2k s LYS 24 Cb -0.15 -2.31 -0.03 0.00 -1.68 0.00 0.00 37.83 33.65 2g2k s LYS 24 CO 0.00 0.52 0.46 0.54 -0.76 0.00 0.00 175.35 176.12 2g2k s VAL 25 N -0.49 5.13 -0.03 3.17 0.11 -1.26 0.05 120.40 127.08 2g2k s VAL 25 Ca 0.06 0.79 -0.01 0.00 -2.93 0.00 0.00 61.98 59.89 2g2k s VAL 25 Cb -0.12 -3.78 0.02 0.00 -1.53 0.00 0.00 36.38 30.98 2g2k s VAL 25 CO 0.01 0.16 0.07 -0.70 -3.33 0.00 0.00 175.10 171.31 2g2k s GLU 26 N 1.90 0.03 0.00 1.54 2.12 -0.65 -4.90 118.70 118.74 2g2k s GLU 26 Ca 0.20 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.74 2g2k s GLU 26 Cb -0.15 -0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.10 2g2k s GLU 26 CO 0.09 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 2g2k n GLY 27 N 3.82 -0.88 3.34 -1.50 0.00 -1.26 -3.65 105.19 105.07 2g2k n GLY 27 Ca -0.22 0.65 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 2g2k n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g2k s LYS 28 N 1.46 0.52 0.72 1.61 1.02 -1.26 -4.78 119.74 119.03 2g2k s LYS 28 Ca 0.00 0.65 0.00 0.00 0.02 0.00 0.00 55.97 56.64 2g2k s LYS 28 Cb 0.00 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 2g2k s LYS 28 CO 0.00 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 2g2k n GLY 29 N 2.96 0.24 0.10 -3.33 0.00 -1.26 -0.34 105.19 103.56 2g2k n GLY 29 Ca -0.14 0.63 0.12 0.00 0.00 0.00 0.00 46.02 46.62 2g2k n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2g2k n ASN 30 N 1.62 0.79 -3.08 1.61 3.02 -1.26 -5.02 115.26 112.94 2g2k n ASN 30 Ca 0.00 0.25 -0.05 0.00 -0.03 0.00 0.00 54.58 54.75 2g2k n ASN 30 Cb 0.00 0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 2g2k n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g2k n GLY 31 N 1.22 -1.21 1.29 7.41 0.00 0.54 -4.88 105.19 109.57 2g2k n GLY 31 Ca 0.01 0.32 0.03 0.00 0.00 0.00 0.00 46.02 46.38 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 0.89 2.53 -3.78 -0.61 2.08 -1.26 -4.35 119.36 114.86 2g2k n ILE 32 Ca -0.00 -1.92 -0.29 0.00 0.56 0.00 0.00 62.75 61.10 2g2k n ILE 32 Cb 0.39 -0.29 -0.04 0.00 -0.75 0.00 0.00 39.64 38.95 2g2k n ILE 32 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2g2k s LYS 33 N -2.93 3.51 -0.27 0.38 2.20 -1.24 0.56 119.74 121.94 2g2k s LYS 33 Ca 0.47 -0.35 -0.05 0.00 -0.36 0.00 0.00 55.97 55.68 2g2k s LYS 33 Cb 0.38 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.81 2g2k s LYS 33 CO 0.09 0.47 0.02 0.99 -0.36 0.00 0.00 175.35 176.57 2g2k s THR 34 N -1.74 3.57 -0.27 3.43 2.01 0.65 -1.63 115.64 121.66 2g2k s THR 34 Ca 0.38 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.55 2g2k s THR 34 Cb -0.12 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 2g2k s THR 34 CO 0.28 0.16 0.08 0.54 -0.69 0.00 0.00 174.62 174.99 2g2k s VAL 35 N 1.45 4.15 -0.45 3.82 0.11 0.11 0.20 120.40 129.78 2g2k s VAL 35 Ca 0.02 -0.43 -0.18 0.00 -2.93 0.00 0.00 61.98 58.46 2g2k s VAL 35 Cb -0.17 -3.04 0.04 0.00 -1.53 0.00 0.00 36.38 31.68 2g2k s VAL 35 CO -0.00 0.21 0.51 -0.63 -3.33 0.00 0.00 175.10 171.86 2g2k s ILE 36 N 1.56 5.01 -0.62 7.04 1.01 -1.05 -2.26 121.20 131.89 2g2k s ILE 36 Ca 0.05 -0.41 0.21 0.00 0.00 0.00 0.00 60.65 60.50 2g2k s ILE 36 Cb -0.16 -4.14 -0.26 0.00 0.01 0.00 0.00 42.46 37.91 2g2k s ILE 36 CO 0.03 -0.57 0.72 0.55 0.00 0.00 0.00 174.94 175.67 2g2k n VAL 37 N 5.51 0.00 0.93 2.92 3.14 -1.26 -4.23 118.33 125.34 2g2k n VAL 37 Ca -0.07 -0.19 0.11 0.00 -2.96 0.00 0.00 64.34 61.23 2g2k n VAL 37 Cb 0.46 0.63 0.07 0.00 -1.06 0.00 0.00 33.84 33.94 2g2k n VAL 37 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2g2k n ASN 38 N -1.77 2.60 -0.12 6.55 5.15 -1.26 -4.42 115.26 122.00 2g2k n ASN 38 Ca 0.01 -1.80 -0.10 0.00 -0.60 0.00 0.00 54.58 52.09 2g2k n ASN 38 Cb 0.41 0.13 -0.02 0.00 -0.53 0.00 0.00 39.78 39.77 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 3.79 0.55 -0.47 1.20 4.05 -1.85 -2.08 114.93 120.11 2g2k h MET 39 Ca 0.00 -0.13 -0.11 0.00 -0.28 0.00 0.00 59.70 59.18 2g2k h MET 39 Cb 0.87 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.58 2g2k h MET 39 CO 0.00 0.60 -0.14 -0.24 0.23 0.00 0.00 176.91 177.35 2g2k h VAL 40 N 0.40 1.27 -0.10 -5.77 3.04 -1.85 -0.84 116.25 112.39 2g2k h VAL 40 Ca 0.11 -1.27 -0.00 0.00 -1.01 0.00 0.00 66.70 64.53 2g2k h VAL 40 Cb 0.29 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2g2k h VAL 40 CO 0.00 0.44 0.05 -0.78 -1.01 0.00 0.00 177.57 176.27 2g2k h ASP 41 N 0.80 0.12 -0.44 3.17 1.82 -1.75 0.10 116.42 120.24 2g2k h ASP 41 Ca 0.12 -0.10 -0.13 0.00 -0.39 0.00 0.00 57.03 56.54 2g2k h ASP 41 Cb 0.68 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 2g2k h ASP 41 CO 0.05 0.19 -0.22 0.58 -1.61 0.00 0.00 179.24 178.22 2g2k h VAL 42 N 0.05 1.27 -0.52 2.25 2.07 -1.33 -2.42 116.25 117.62 2g2k h VAL 42 Ca 0.03 -1.38 -0.10 0.00 0.82 0.00 0.00 66.70 66.08 2g2k h VAL 42 Cb 0.09 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2g2k h VAL 42 CO -0.00 0.47 -0.06 0.00 0.02 0.00 0.00 177.57 177.99 2g2k h ALA 43 N 0.84 0.90 -0.36 1.67 0.00 -1.02 -2.84 119.26 118.45 2g2k h ALA 43 Ca 0.10 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2g2k h ALA 43 Cb 0.80 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2g2k h ALA 43 CO 0.07 0.64 -0.19 -0.22 0.00 0.00 0.00 179.25 179.55 2g2k h LYS 44 N 0.85 0.68 -0.02 0.00 3.64 -0.72 2.88 116.57 123.87 2g2k h LYS 44 Ca 0.14 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2g2k h LYS 44 Cb 0.59 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2g2k h LYS 44 CO 0.04 0.82 -0.15 0.00 -2.27 0.00 0.00 179.45 177.89 2g2k h ALA 45 N 1.19 1.72 -0.00 5.00 0.00 -1.20 -3.06 119.26 122.91 2g2k h ALA 45 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2g2k h ALA 45 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2g2k h ALA 45 CO 0.05 0.21 -0.22 1.28 0.00 0.00 0.00 179.25 180.57 2g2k n LEU 46 N -4.35 0.33 0.00 0.00 4.32 -1.01 -5.08 117.00 111.21 2g2k n LEU 46 Ca -0.02 -0.53 0.00 0.00 -0.02 0.00 0.00 56.01 55.43 2g2k n LEU 46 Cb 0.22 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 2g2k n LEU 46 CO 0.36 0.08 0.00 -0.46 -1.22 0.00 0.00 177.39 176.15 2g2k n ASN 47 N -1.02 0.00 -4.23 -1.43 0.23 0.95 -5.07 115.26 104.68 2g2k n ASN 47 Ca 0.01 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.93 2g2k n ASN 47 Cb 0.08 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.68 2g2k n ASN 47 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2g2k s ARG 48 N 0.00 1.16 0.25 -3.83 0.52 -0.20 -3.55 118.95 113.31 2g2k s ARG 48 Ca 0.00 -1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 53.33 2g2k s ARG 48 Cb 0.00 -0.00 -0.09 0.00 0.52 0.00 0.00 34.95 35.37 2g2k s ARG 48 CO 0.00 -0.27 1.19 -1.25 0.02 0.00 0.00 175.30 174.99 2g2k s PRO 49 N -4.04 4.52 -0.24 3.54 0.04 -1.26 -4.48 135.00 133.08 2g2k s PRO 49 Ca 0.31 1.93 -0.05 0.00 0.04 0.00 0.00 61.00 63.23 2g2k s PRO 49 Cb 0.07 -3.18 -0.16 0.00 0.04 0.00 0.00 34.50 31.26 2g2k s PRO 49 CO 0.08 -0.00 2.64 -0.35 0.04 0.00 0.00 177.00 179.41 2g2k n PRO 50 N 1.67 1.66 0.27 0.56 -0.04 -1.26 -4.47 135.00 133.40 2g2k n PRO 50 Ca 0.01 -0.91 0.16 0.00 -0.04 0.00 0.00 63.50 62.72 2g2k n PRO 50 Cb 0.44 -2.00 0.73 0.00 -0.04 0.00 0.00 33.50 32.63 2g2k n PRO 50 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2g2k h THR 51 N 2.50 0.22 0.00 0.52 1.35 -2.00 -2.57 112.91 112.93 2g2k h THR 51 Ca 0.24 -0.56 -0.02 0.00 -0.55 0.00 0.00 66.41 65.52 2g2k h THR 51 Cb 0.89 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2g2k h THR 51 CO 0.57 0.07 -0.13 1.88 -0.25 0.00 0.00 175.52 177.65 2g2k h TYR 52 N 0.00 0.00 0.00 4.73 -1.99 -2.01 -3.32 116.97 114.38 2g2k h TYR 52 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2g2k h TYR 52 Cb 0.44 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.17 2g2k h TYR 52 CO 0.00 0.62 0.00 -0.35 -0.00 0.00 0.00 178.16 178.43 2g2k n PRO 53 N -4.66 0.62 0.26 4.88 -0.04 -1.22 -3.28 135.00 131.57 2g2k n PRO 53 Ca -0.08 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.55 2g2k n PRO 53 Cb 0.31 -1.38 0.80 0.00 -0.04 0.00 0.00 33.50 33.19 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 0.00 -0.15 0.52 1.35 -1.55 -2.86 112.91 110.22 2g2k h THR 54 Ca 0.00 -0.27 -0.17 0.00 -0.55 0.00 0.00 66.41 65.42 2g2k h THR 54 Cb 0.00 1.18 0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2g2k h THR 54 CO 0.00 0.00 -0.55 0.50 -0.25 0.00 0.00 175.52 175.22 2g2k h LYS 55 N 0.00 0.64 0.07 4.72 3.64 -1.81 -2.84 116.57 120.99 2g2k h LYS 55 Ca 0.00 -0.49 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2g2k h LYS 55 Cb 0.29 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2g2k h LYS 55 CO 0.00 1.11 -0.08 -0.92 -2.27 0.00 0.00 179.45 177.28 2g2k h TYR 56 N 0.30 -0.22 -0.78 1.91 3.20 -1.78 -1.24 116.97 118.37 2g2k h TYR 56 Ca -0.03 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.89 2g2k h TYR 56 Cb 1.18 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.49 2g2k h TYR 56 CO 0.10 -0.13 0.48 0.74 -1.64 0.00 0.00 178.16 177.71 2g2k h PHE 57 N -0.18 0.89 -0.53 -3.82 0.04 -1.64 -1.15 116.94 110.54 2g2k h PHE 57 Ca 0.01 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 2g2k h PHE 57 Cb 0.18 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 2g2k h PHE 57 CO -0.12 0.48 0.32 0.78 -0.60 0.00 0.00 178.31 179.17 2g2k h GLY 58 N 0.90 0.77 0.87 -1.45 0.00 -1.19 -1.80 103.07 101.17 2g2k h GLY 58 Ca 0.33 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.42 2g2k h GLY 58 CO -0.14 0.30 0.54 0.00 0.00 0.00 0.00 176.54 177.23 2g2k h GLU 60 N 0.84 0.12 -0.27 0.00 5.08 -1.25 -2.74 114.58 116.35 2g2k h GLU 60 Ca 0.37 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2g2k h GLU 60 Cb 0.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2g2k h GLU 60 CO -0.14 0.37 0.00 1.47 -1.00 0.00 0.00 179.01 179.71 2g2k n LEU 61 N -4.87 0.48 0.00 1.33 -0.00 -0.93 -4.82 117.00 108.19 2g2k n LEU 61 Ca -0.07 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.70 2g2k n LEU 61 Cb 0.18 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 2g2k n LEU 61 CO 0.34 0.11 0.00 0.61 -0.00 0.00 0.00 177.39 178.45 2g2k n GLY 62 N 0.44 0.22 3.58 1.47 0.00 -0.68 -4.87 105.19 105.35 2g2k n GLY 62 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.59 3.06 0.00 4.61 0.00 -0.27 -4.95 121.76 122.61 2g2k s ALA 63 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 49.99 2g2k s ALA 63 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2g2k s ALA 63 CO 0.00 0.12 0.00 1.04 0.00 0.00 0.00 175.76 176.92 2g2k n GLN 64 N -0.85 0.00 -4.03 0.00 6.02 -1.26 -3.12 117.38 114.13 2g2k n GLN 64 Ca -0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.84 2g2k n GLN 64 Cb 0.62 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.82 2g2k n GLN 64 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2g2k s THR 65 N 3.31 0.00 -0.06 5.09 -4.23 -1.26 -3.09 115.64 115.40 2g2k s THR 65 Ca 0.00 -1.50 -0.05 0.00 -1.18 0.00 0.00 61.69 58.95 2g2k s THR 65 Cb 0.00 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.57 2g2k s THR 65 CO 0.00 0.00 0.15 -1.58 -0.54 0.00 0.00 174.62 172.65 2g2k s GLN 66 N -3.94 0.18 0.05 3.99 -0.44 0.59 -4.84 119.66 115.25 2g2k s GLN 66 Ca 0.25 0.23 0.06 0.00 -2.50 0.00 0.00 55.36 53.40 2g2k s GLN 66 Cb 0.00 0.07 -0.02 0.00 -1.64 0.00 0.00 33.01 31.42 2g2k s GLN 66 CO 0.10 -0.03 -0.18 -0.06 0.50 0.00 0.00 175.29 175.62 2g2k s PHE 67 N 0.15 1.59 -0.16 1.67 0.08 -1.26 -0.30 117.98 119.74 2g2k s PHE 67 Ca -0.01 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.67 2g2k s PHE 67 Cb -0.02 -0.93 0.03 0.00 -0.57 0.00 0.00 43.02 41.53 2g2k s PHE 67 CO -0.00 0.08 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.59 2g2k s ASP 68 N -1.25 2.80 -0.14 1.36 1.01 -0.43 -4.96 116.67 115.05 2g2k s ASP 68 Ca 0.05 -0.59 -0.18 0.00 0.71 0.00 0.00 52.55 52.54 2g2k s ASP 68 Cb -0.09 -1.06 -0.24 0.00 1.01 0.00 0.00 42.92 42.54 2g2k s ASP 68 CO 0.02 -0.12 0.44 -0.37 0.21 0.00 0.00 175.17 175.34 2g2k h VAL 69 N 6.24 1.01 0.00 -1.27 -1.51 -1.95 1.13 116.25 119.91 2g2k h VAL 69 Ca -0.31 -2.31 0.00 0.00 -1.23 0.00 0.00 66.70 62.85 2g2k h VAL 69 Cb 1.12 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 32.86 2g2k h VAL 69 CO 0.46 0.58 0.00 1.17 -1.23 0.00 0.00 177.57 178.56 2g2k n LYS 70 N -4.11 0.08 -0.00 5.19 4.81 -1.26 -2.76 118.16 120.10 2g2k n LYS 70 Ca -0.27 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 2g2k n LYS 70 Cb 0.80 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.35 2g2k n LYS 70 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2g2k n ASN 71 N -1.42 4.73 -0.53 3.14 5.03 -1.24 -5.00 115.26 119.98 2g2k n ASN 71 Ca 0.05 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.43 2g2k n ASN 71 Cb 0.14 0.81 -0.03 0.00 -1.02 0.00 0.00 39.78 39.68 2g2k n ASN 71 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2g2k n ASP 72 N -1.77 -4.58 -4.37 6.41 8.00 0.39 -4.97 116.55 115.65 2g2k n ASP 72 Ca -0.01 0.17 -0.33 0.00 0.71 0.00 0.00 54.79 55.33 2g2k n ASP 72 Cb 0.27 -2.69 -0.14 0.00 -0.02 0.00 0.00 41.12 38.54 2g2k n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2g2k s ARG 73 N -2.22 3.40 -0.12 -1.24 0.52 -1.09 -4.90 118.95 113.29 2g2k s ARG 73 Ca 0.00 -0.68 -0.00 0.00 -0.52 0.00 0.00 55.73 54.53 2g2k s ARG 73 Cb 0.00 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 2g2k s ARG 73 CO 0.00 0.19 -0.13 0.71 0.02 0.00 0.00 175.30 176.10 2g2k s TYR 74 N 0.41 2.81 0.07 -0.53 2.02 -1.26 -1.31 117.35 119.56 2g2k s TYR 74 Ca -0.10 -0.58 0.05 0.00 -0.37 0.00 0.00 57.07 56.08 2g2k s TYR 74 Cb -0.16 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 2g2k s TYR 74 CO 0.05 -0.16 -0.07 -1.50 -1.57 0.00 0.00 175.55 172.30 2g2k s ILE 75 N 0.25 3.59 -0.08 2.71 2.07 0.58 -2.52 121.20 127.80 2g2k s ILE 75 Ca -0.09 -1.05 0.05 0.00 -1.41 0.00 0.00 60.65 58.15 2g2k s ILE 75 Cb -0.15 -2.65 -0.00 0.00 0.13 0.00 0.00 42.46 39.78 2g2k s ILE 75 CO 0.05 0.21 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.36 2g2k s VAL 76 N -1.16 2.03 0.36 4.00 1.01 0.53 0.22 120.40 127.38 2g2k s VAL 76 Ca 0.21 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 2g2k s VAL 76 Cb -0.11 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.43 2g2k s VAL 76 CO 0.13 0.56 1.31 0.20 0.00 0.00 0.00 175.10 177.30 2g2k s ASN 77 N 0.15 6.58 0.00 3.32 0.01 -1.18 -0.25 114.94 123.56 2g2k s ASN 77 Ca -0.13 2.69 0.00 0.00 -0.71 0.00 0.00 52.86 54.72 2g2k s ASN 77 Cb -0.16 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.85 2g2k s ASN 77 CO 0.07 -0.67 0.00 0.61 -1.51 0.00 0.00 177.10 175.60 2g2k n GLY 78 N 0.72 1.91 3.56 0.66 0.00 -1.24 -4.48 105.19 106.32 2g2k n GLY 78 Ca 0.01 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.04 6.21 -0.07 1.61 1.04 0.19 -1.31 113.70 121.33 2g2k s SER 79 Ca 0.00 -0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.28 2g2k s SER 79 Cb 0.00 -2.21 0.04 0.00 0.10 0.00 0.00 66.02 63.95 2g2k s SER 79 CO 0.00 -0.33 0.14 -1.38 0.98 0.00 0.00 173.24 172.65 2g2k s HIS 80 N 2.07 -0.15 0.54 5.02 -3.43 -1.26 -4.98 115.29 113.09 2g2k s HIS 80 Ca 0.13 0.49 -0.19 0.00 -0.80 0.00 0.00 55.06 54.70 2g2k s HIS 80 Cb -0.16 -0.14 -0.06 0.00 -1.43 0.00 0.00 32.58 30.78 2g2k s HIS 80 CO 0.12 -0.19 1.06 -2.00 -2.00 0.00 0.00 174.74 171.73 2g2k s GLU 81 N 1.45 3.54 0.24 -0.38 2.12 -1.26 -4.83 118.70 119.58 2g2k s GLU 81 Ca -0.06 1.36 -0.05 0.00 0.36 0.00 0.00 54.97 56.58 2g2k s GLU 81 Cb -0.12 -2.05 0.42 0.00 0.26 0.00 0.00 34.13 32.63 2g2k s GLU 81 CO -0.06 -0.65 1.73 0.00 -0.54 0.00 0.00 175.26 175.75 2g2k h ALA 82 N 1.10 1.00 -0.22 6.30 0.00 -1.84 0.20 119.26 125.80 2g2k h ALA 82 Ca -0.49 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2g2k h ALA 82 Cb 1.23 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2g2k h ALA 82 CO 0.58 -0.20 -0.16 -0.97 0.00 0.00 0.00 179.25 178.50 2g2k h ASN 83 N 0.45 0.36 -0.24 0.00 -1.24 -1.91 -2.80 115.58 110.20 2g2k h ASN 83 Ca 0.39 -0.09 -0.10 0.00 0.71 0.00 0.00 56.30 57.21 2g2k h ASN 83 Cb 0.56 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 2g2k h ASN 83 CO -0.38 0.54 -0.20 0.50 -1.29 0.00 0.00 177.43 176.60 2g2k h LYS 84 N 0.34 0.69 -0.54 6.67 3.11 -1.00 -2.91 116.57 122.92 2g2k h LYS 84 Ca 0.06 -0.26 0.02 0.00 -2.81 0.00 0.00 60.65 57.66 2g2k h LYS 84 Cb 0.49 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.65 2g2k h LYS 84 CO 0.03 0.84 0.34 -0.07 -2.81 0.00 0.00 179.45 177.78 2g2k h LEU 85 N 0.61 0.56 -0.90 5.20 4.07 -0.97 0.05 115.31 123.93 2g2k h LEU 85 Ca 0.09 -0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.96 2g2k h LEU 85 Cb 0.68 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 2g2k h LEU 85 CO 0.05 0.40 -0.10 -0.61 -1.08 0.00 0.00 178.44 177.11 2g2k h GLN 86 N 0.68 0.70 -0.34 1.13 4.15 -1.59 -2.59 115.11 117.25 2g2k h GLN 86 Ca 0.21 -0.22 -0.14 0.00 0.77 0.00 0.00 58.65 59.27 2g2k h GLN 86 Cb -0.02 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 2g2k h GLN 86 CO -0.07 0.78 -0.35 0.22 -1.93 0.00 0.00 178.83 177.48 2g2k h ASP 87 N 0.64 0.83 -0.04 -0.69 3.58 -1.18 -2.77 116.42 116.79 2g2k h ASP 87 Ca 0.11 -0.36 -0.02 0.00 0.42 0.00 0.00 57.03 57.18 2g2k h ASP 87 Cb 0.54 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2g2k h ASP 87 CO 0.03 1.10 -0.06 0.00 -2.88 0.00 0.00 179.24 177.43 2g2k h MET 88 N 0.65 0.11 -0.50 0.28 -0.00 -0.84 -2.38 114.93 112.24 2g2k h MET 88 Ca 0.06 -0.07 0.06 0.00 -0.00 0.00 0.00 59.70 59.76 2g2k h MET 88 Cb 0.90 0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 32.48 2g2k h MET 88 CO 0.08 0.63 0.34 1.25 -0.00 0.00 0.00 176.91 179.21 2g2k h LEU 89 N -0.41 0.39 -0.16 -0.10 5.85 -1.54 0.70 115.31 120.04 2g2k h LEU 89 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2g2k h LEU 89 Cb 0.63 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2g2k h LEU 89 CO 0.01 0.26 0.02 -0.78 -0.34 0.00 0.00 178.44 177.61 2g2k h ASP 90 N 0.45 0.27 -0.06 1.25 1.82 -1.39 -0.18 116.42 118.57 2g2k h ASP 90 Ca 0.22 -0.28 -0.02 0.00 -0.39 0.00 0.00 57.03 56.56 2g2k h ASP 90 Cb 0.29 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.23 2g2k h ASP 90 CO -0.06 0.48 -0.04 1.23 -1.61 0.00 0.00 179.24 179.25 2g2k h GLY 91 N 0.04 0.15 0.90 -0.78 0.00 -0.79 -2.39 103.07 100.20 2g2k h GLY 91 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2g2k h GLY 91 CO 0.01 0.13 -0.10 0.74 0.00 0.00 0.00 176.54 177.31 2g2k h PHE 92 N -0.25 -0.26 -0.26 5.60 0.04 -0.92 0.15 116.94 121.04 2g2k h PHE 92 Ca 0.01 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.83 2g2k h PHE 92 Cb 0.49 0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.67 2g2k h PHE 92 CO 0.07 -0.08 -0.10 0.82 -0.60 0.00 0.00 178.31 178.42 2g2k h ILE 93 N -0.39 0.66 0.00 -0.55 2.04 -1.10 -0.61 117.51 117.56 2g2k h ILE 93 Ca -0.03 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 2g2k h ILE 93 Cb 0.30 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2g2k h ILE 93 CO 0.05 0.00 -0.24 0.50 0.00 0.00 0.00 178.15 178.45 2g2k h LYS 94 N -0.06 0.00 -0.45 2.37 3.64 -1.32 0.47 116.57 121.22 2g2k h LYS 94 Ca 0.13 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2g2k h LYS 94 Cb 0.26 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2g2k h LYS 94 CO -0.30 0.24 0.02 0.87 -2.27 0.00 0.00 179.45 178.02 2g2k h LYS 95 N 0.00 0.79 0.00 1.90 1.79 0.91 -3.34 116.57 118.62 2g2k h LYS 95 Ca -0.00 -0.24 -0.08 0.00 -2.18 0.00 0.00 60.65 58.15 2g2k h LYS 95 Cb 0.50 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 2g2k h LYS 95 CO 0.03 0.84 -1.28 1.97 -1.08 0.00 0.00 179.45 179.92 2g2k n PHE 96 N -4.40 0.00 0.30 -1.35 1.16 -0.99 -4.57 117.46 107.61 2g2k n PHE 96 Ca 0.00 0.00 0.16 0.00 -1.87 0.00 0.00 57.45 55.75 2g2k n PHE 96 Cb 0.29 -0.20 0.83 0.00 -1.61 0.00 0.00 39.48 38.78 2g2k n PHE 96 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2g2k h VAL 97 N 0.00 0.07 -0.44 1.97 2.07 -0.24 -0.20 116.25 119.47 2g2k h VAL 97 Ca -0.11 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.11 2g2k h VAL 97 Cb 1.23 0.68 -0.13 0.00 -1.52 0.00 0.00 31.29 31.55 2g2k h VAL 97 CO -0.00 0.00 0.39 0.18 0.02 0.00 0.00 177.57 178.16 2g2k n LEU 98 N -3.04 6.37 -4.73 2.57 4.77 -1.25 -3.33 117.00 118.35 2g2k n LEU 98 Ca -0.01 -3.23 -0.33 0.00 -0.03 0.00 0.00 56.01 52.41 2g2k n LEU 98 Cb 0.40 -1.06 0.09 0.00 -2.33 0.00 0.00 43.42 40.52 2g2k n LEU 98 CO 0.16 1.21 0.76 0.00 -1.33 0.00 0.00 177.39 178.19 2g2k n PRO 100 N -2.83 0.39 0.03 0.00 -0.04 -1.26 0.55 135.00 131.84 2g2k n PRO 100 Ca 0.12 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 2g2k n PRO 100 Cb 0.51 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.80 2g2k n PRO 100 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2g2k n GLU 101 N -1.12 0.12 0.00 0.54 -0.58 -1.26 -4.78 120.64 113.57 2g2k n GLU 101 Ca 0.10 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2g2k n GLU 101 Cb 0.08 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 2g2k n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2g2k n GLU 103 N 0.00 -0.67 0.15 0.00 0.00 0.19 -4.62 120.64 115.69 2g2k n GLU 103 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.24 2g2k n GLU 103 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 31.44 30.07 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 -1.29 -2.73 -4.78 4.31 4.13 -1.21 -4.81 115.26 108.88 2g2k n ASN 104 Ca -0.12 0.64 -0.35 0.00 1.68 0.00 0.00 54.58 56.43 2g2k n ASN 104 Cb 0.41 2.69 -0.01 0.00 -1.54 0.00 0.00 39.78 41.32 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 -1.73 3.58 -0.05 3.52 0.04 -1.26 -4.96 135.00 134.14 2g2k s PRO 105 Ca 0.00 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 2g2k s PRO 105 Cb 0.00 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2g2k s PRO 105 CO 0.00 -0.65 1.50 -1.83 0.04 0.00 0.00 177.00 176.06 2g2k s GLU 106 N -3.19 4.22 0.35 4.56 -1.05 -1.26 -4.94 118.70 117.39 2g2k s GLU 106 Ca 0.70 2.02 0.08 0.00 -0.15 0.00 0.00 54.97 57.62 2g2k s GLU 106 Cb -0.22 -3.78 -0.04 0.00 -0.44 0.00 0.00 34.13 29.65 2g2k s GLU 106 CO 0.25 -0.73 0.19 0.95 0.95 0.00 0.00 175.26 176.88 2g2k s THR 107 N 3.31 3.05 0.12 1.83 -4.23 -1.26 -4.73 115.64 113.73 2g2k s THR 107 Ca 0.67 -1.60 0.08 0.00 -1.18 0.00 0.00 61.69 59.66 2g2k s THR 107 Cb -0.31 -3.02 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 2g2k s THR 107 CO 0.26 -0.15 -0.13 -0.62 -0.54 0.00 0.00 174.62 173.44 2g2k s ASP 108 N -3.90 4.21 0.01 3.99 2.15 -0.17 -4.92 116.67 118.04 2g2k s ASP 108 Ca 0.39 -0.46 0.04 0.00 0.43 0.00 0.00 52.55 52.96 2g2k s ASP 108 Cb -0.03 -0.73 -0.02 0.00 -0.30 0.00 0.00 42.92 41.85 2g2k s ASP 108 CO 0.24 0.17 -0.14 -1.48 -0.17 0.00 0.00 175.17 173.79 2g2k s LEU 109 N -2.25 2.09 -0.09 -1.34 0.05 -1.26 0.25 118.68 116.14 2g2k s LEU 109 Ca 0.21 -0.34 0.03 0.00 0.05 0.00 0.00 54.13 54.07 2g2k s LEU 109 Cb -0.11 -0.65 0.00 0.00 -2.05 0.00 0.00 46.19 43.39 2g2k s LEU 109 CO 0.13 0.10 -0.20 -1.38 -0.55 0.00 0.00 176.35 174.45 2g2k s HIS 110 N -0.57 2.18 -0.19 3.48 -3.43 -0.66 -4.90 115.29 111.21 2g2k s HIS 110 Ca 0.03 -0.88 -0.09 0.00 -0.80 0.00 0.00 55.06 53.32 2g2k s HIS 110 Cb -0.06 -1.49 -0.05 0.00 -1.43 0.00 0.00 32.58 29.55 2g2k s HIS 110 CO 0.00 -0.38 0.10 0.14 -2.00 0.00 0.00 174.74 172.61 2g2k s VAL 111 N 0.47 5.12 -0.24 -5.38 -7.23 -1.26 0.49 120.40 112.36 2g2k s VAL 111 Ca -0.17 0.08 -0.09 0.00 -1.81 0.00 0.00 61.98 60.00 2g2k s VAL 111 Cb -0.17 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 2g2k s VAL 111 CO 0.07 0.44 0.11 0.20 -0.31 0.00 0.00 175.10 175.61 2g2k s ASN 112 N 0.42 5.60 0.24 4.85 0.02 -0.30 -4.96 114.94 120.81 2g2k s ASN 112 Ca 0.06 -0.05 0.08 0.00 -1.02 0.00 0.00 52.86 51.93 2g2k s ASN 112 Cb -0.12 -2.01 0.25 0.00 0.02 0.00 0.00 41.25 39.40 2g2k s ASN 112 CO -0.01 0.02 1.55 1.55 0.02 0.00 0.00 177.10 180.23 2g2k h PRO 113 N 7.85 0.07 -0.93 -0.60 0.13 -1.95 0.63 132.00 137.21 2g2k h PRO 113 Ca -0.37 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 64.71 2g2k h PRO 113 Cb 1.18 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2g2k h PRO 113 CO 0.61 0.71 0.61 0.87 -0.23 0.00 0.00 178.00 180.57 2g2k h LYS 114 N 0.05 1.22 -0.01 0.86 1.79 -1.97 -2.94 116.57 115.56 2g2k h LYS 114 Ca -0.01 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2g2k h LYS 114 Cb 1.19 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2g2k h LYS 114 CO 0.09 0.81 -0.00 1.63 -1.08 0.00 0.00 179.45 180.90 2g2k n LYS 115 N -4.44 0.57 -3.65 3.15 5.02 -1.20 -4.98 118.16 112.63 2g2k n LYS 115 Ca 0.10 -1.16 -0.27 0.00 -2.02 0.00 0.00 58.31 54.96 2g2k n LYS 115 Cb 0.01 -1.21 0.02 0.00 -0.02 0.00 0.00 35.03 33.83 2g2k n LYS 115 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2g2k n GLN 116 N 0.62 -4.68 -4.32 1.97 6.02 0.22 -4.96 117.38 112.25 2g2k n GLN 116 Ca 0.06 0.59 -0.29 0.00 -0.01 0.00 0.00 57.00 57.35 2g2k n GLN 116 Cb 0.28 -5.42 -0.12 0.00 1.02 0.00 0.00 30.24 26.01 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 -3.17 2.72 -0.14 5.09 -4.23 -0.93 -4.94 115.64 110.05 2g2k s THR 117 Ca 0.54 -1.56 -0.07 0.00 -1.18 0.00 0.00 61.69 59.43 2g2k s THR 117 Cb -0.28 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 2g2k s THR 117 CO 0.67 0.10 0.12 -0.63 -0.54 0.00 0.00 174.62 174.34 2g2k s ILE 118 N -1.12 5.33 0.31 2.99 -1.09 -1.26 -1.15 121.20 125.20 2g2k s ILE 118 Ca 0.17 0.15 0.09 0.00 -2.23 0.00 0.00 60.65 58.83 2g2k s ILE 118 Cb -0.10 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 2g2k s ILE 118 CO 0.09 0.57 0.07 -0.83 -1.23 0.00 0.00 174.94 173.61 2g2k s GLY 119 N -0.61 1.83 -0.07 6.18 0.00 0.18 -2.67 107.32 112.15 2g2k s GLY 119 Ca 0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.05 2g2k s GLY 119 CO 0.02 -1.75 0.16 0.21 0.00 0.00 0.00 173.10 171.74 2g2k s ASN 120 N -3.77 0.04 -0.16 1.64 3.84 -0.52 -1.65 114.94 114.37 2g2k s ASN 120 Ca 0.35 0.33 0.00 0.00 0.21 0.00 0.00 52.86 53.75 2g2k s ASN 120 Cb -0.04 0.23 0.00 0.00 -0.55 0.00 0.00 41.25 40.89 2g2k s ASN 120 CO 0.21 -0.17 -0.16 -0.55 -2.79 0.00 0.00 177.10 173.64 2g2k s SER 121 N 1.41 3.58 -0.17 -4.21 0.15 0.68 0.16 113.70 115.30 2g2k s SER 121 Ca -0.07 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.08 2g2k s SER 121 Cb -0.12 -1.55 -0.00 0.00 -1.71 0.00 0.00 66.02 62.64 2g2k s SER 121 CO -0.06 0.07 -0.12 0.00 1.20 0.00 0.00 173.24 174.33 2g2k n LYS 123 N 4.20 1.78 -0.05 0.00 2.85 -1.26 -3.10 118.16 122.57 2g2k n LYS 123 Ca -0.19 -1.04 -0.15 0.00 -1.05 0.00 0.00 58.31 55.88 2g2k n LYS 123 Cb 0.51 -1.54 -0.14 0.00 -0.65 0.00 0.00 35.03 33.21 2g2k n LYS 123 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2g2k n ALA 124 N 0.05 1.28 -0.84 0.58 0.00 -1.26 -4.65 120.51 115.67 2g2k n ALA 124 Ca 0.16 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2g2k n ALA 124 Cb 0.78 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.02 2.20 0.00 0.00 0.00 -1.18 -4.95 105.19 101.24 2g2k n GLY 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2g2k n GLY 126 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2g2k n TYR 127 N -2.00 0.00 -1.68 1.61 9.36 -1.26 -4.87 117.16 118.33 2g2k n TYR 127 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2g2k n TYR 127 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2g2k n TYR 127 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2g2k n ARG 128 N -0.84 -1.72 0.00 2.98 0.00 -1.26 -4.86 116.66 110.97 2g2k n ARG 128 Ca 0.00 1.22 0.00 0.00 -0.00 0.00 0.00 57.85 59.07 2g2k n ARG 128 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 30.79 2g2k n ARG 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2g2k n GLY 129 N 1.38 -1.72 3.41 5.14 0.00 0.41 -4.91 105.19 108.91 2g2k n GLY 129 Ca 0.00 0.80 -0.30 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.13 1.61 1.75 -1.26 -1.44 119.30 121.71 2g2k s MET 130 Ca 0.00 -1.08 -0.18 0.00 -1.25 0.00 0.00 55.69 53.18 2g2k s MET 130 Cb 0.00 -2.07 -0.04 0.00 2.84 0.00 0.00 34.83 35.56 2g2k s MET 130 CO 0.00 0.52 0.47 -1.17 -0.65 0.00 0.00 175.02 174.19 2g2k s LEU 131 N -1.46 4.25 0.00 4.11 0.20 -1.09 -4.36 118.68 120.34 2g2k s LEU 131 Ca 0.14 0.77 0.00 0.00 0.69 0.00 0.00 54.13 55.73 2g2k s LEU 131 Cb -0.10 -2.68 0.00 0.00 -0.43 0.00 0.00 46.19 42.98 2g2k s LEU 131 CO 0.04 -0.02 0.00 -0.67 -0.29 0.00 0.00 176.35 175.41 2g2k n ASP 132 N 3.83 0.00 -0.92 3.68 -0.08 -1.26 -4.79 116.55 117.01 2g2k n ASP 132 Ca -0.07 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.25 2g2k n ASP 132 Cb 0.51 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.95 2g2k n ASP 132 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2g2k n THR 133 N -2.35 -1.33 -0.30 5.18 -1.04 -1.26 -4.27 114.28 108.91 2g2k n THR 133 Ca 0.00 0.77 0.02 0.00 -2.04 0.00 0.00 64.05 62.80 2g2k n THR 133 Cb 0.00 -1.25 0.09 0.00 -1.82 0.00 0.00 70.33 67.34 2g2k n THR 133 CO 0.00 0.00 0.00 1.12 -0.64 0.00 0.00 175.07 175.55 2g2k h HIS 134 N -0.25 -0.61 -2.82 -1.42 2.07 -1.94 -3.38 115.15 106.80 2g2k h HIS 134 Ca -0.05 0.08 -0.64 0.00 -2.85 0.00 0.00 60.37 56.91 2g2k h HIS 134 Cb 0.68 0.40 -0.06 0.00 2.57 0.00 0.00 27.41 31.00 2g2k h HIS 134 CO 0.04 -0.38 -0.36 -1.58 -3.07 0.00 0.00 177.93 172.59 2g2k s HIS 135 N -6.17 3.65 -1.21 6.12 5.65 -1.26 -5.00 115.29 117.07 2g2k s HIS 135 Ca -0.15 0.72 -0.21 0.00 0.25 0.00 0.00 55.06 55.68 2g2k s HIS 135 Cb 0.22 -2.09 0.00 0.00 -1.18 0.00 0.00 32.58 29.54 2g2k s HIS 135 CO 0.75 0.69 1.80 -1.59 -0.65 0.00 0.00 174.74 175.73 2g2k s LYS 136 N -1.12 3.31 0.35 2.88 -2.85 -1.26 -4.67 119.74 116.38 2g2k s LYS 136 Ca 0.20 -1.51 0.23 0.00 -1.00 0.00 0.00 55.97 53.89 2g2k s LYS 136 Cb -0.14 -5.38 0.31 0.00 -2.06 0.00 0.00 37.83 30.56 2g2k s LYS 136 CO 0.09 -2.96 1.49 1.37 0.10 0.00 0.00 175.35 175.43 2g2k h LEU 137 N 14.83 0.00 -0.98 2.77 8.10 -1.89 -3.31 115.31 134.83 2g2k h LEU 137 Ca 0.32 -0.01 0.08 0.00 0.11 0.00 0.00 57.88 58.38 2g2k h LEU 137 Cb 0.92 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 41.06 2g2k h LEU 137 CO 1.35 0.01 0.62 0.00 -4.11 0.00 0.00 178.44 176.31 2g2k h THR 139 N 1.08 1.25 -0.06 0.00 2.02 -1.97 1.03 112.91 116.27 2g2k h THR 139 Ca 0.44 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2g2k h THR 139 Cb 0.28 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2g2k h THR 139 CO -0.21 0.32 0.03 -0.26 0.37 0.00 0.00 175.52 175.77 2g2k h PHE 140 N 1.07 0.08 -0.29 3.16 -1.00 -1.49 0.05 116.94 118.51 2g2k h PHE 140 Ca 0.25 -0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.89 2g2k h PHE 140 Cb 0.20 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 2g2k h PHE 140 CO 0.02 0.12 -0.36 -0.84 -1.61 0.00 0.00 178.31 175.64 2g2k h ILE 141 N 0.01 1.30 -0.93 -0.55 3.07 -1.23 2.97 117.51 122.14 2g2k h ILE 141 Ca 0.02 -1.54 0.09 0.00 1.55 0.00 0.00 64.86 64.98 2g2k h ILE 141 Cb 0.07 1.60 -0.07 0.00 -0.27 0.00 0.00 36.82 38.14 2g2k h ILE 141 CO -0.00 0.49 0.58 0.25 -1.05 0.00 0.00 178.15 178.42 2g2k h LEU 142 N 0.51 0.88 0.00 0.16 5.85 0.13 -3.18 115.31 119.67 2g2k h LEU 142 Ca 0.04 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 2g2k h LEU 142 Cb 0.94 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2g2k h LEU 142 CO 0.08 0.52 -1.62 1.17 -0.34 0.00 0.00 178.44 178.26 2g2k n LYS 143 N -4.62 0.95 -2.54 1.25 4.81 -0.02 -5.05 118.16 112.94 2g2k n LYS 143 Ca 0.15 -0.08 -0.04 0.00 -0.87 0.00 0.00 58.31 57.48 2g2k n LYS 143 Cb 0.25 -1.29 -0.03 0.00 0.02 0.00 0.00 35.03 33.99 2g2k n LYS 143 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2g2k n ASN 144 N -2.08 -3.59 -4.48 3.14 5.03 0.99 -4.97 115.26 109.30 2g2k n ASN 144 Ca -0.07 1.48 -0.29 0.00 0.87 0.00 0.00 54.58 56.57 2g2k n ASN 144 Cb 0.49 -4.91 0.18 0.00 -1.02 0.00 0.00 39.78 34.51 2g2k n ASN 144 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2g2k s PRO 145 N -0.58 0.36 0.00 3.52 0.04 -1.25 -5.04 135.00 132.05 2g2k s PRO 145 Ca -0.18 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.05 2g2k s PRO 145 Cb 0.01 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2g2k s PRO 145 CO 0.48 -2.71 0.00 -0.35 0.04 0.00 0.00 177.00 174.46 2g2k n PRO 146 N -4.10 1.09 -2.91 0.56 -0.04 -1.26 -4.93 135.00 123.41 2g2k n PRO 146 Ca 0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.13 2g2k n PRO 146 Cb 0.59 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.01 2g2k n PRO 146 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2g2k s GLU 147 N 0.00 4.33 -0.74 0.54 8.01 -1.26 -3.61 118.70 125.96 2g2k s GLU 147 Ca 0.00 1.01 0.00 0.00 0.01 0.00 0.00 54.97 55.99 2g2k s GLU 147 Cb 0.00 -3.55 0.00 0.00 -4.31 0.00 0.00 34.13 26.27 2g2k s GLU 147 CO 0.00 -0.26 0.00 0.09 0.01 0.00 0.00 175.26 175.10 2g2k n ASN 148 N 4.96 -5.80 -3.58 -0.19 5.03 -1.26 -3.57 115.26 110.85 2g2k n ASN 148 Ca 0.04 0.17 -0.28 0.00 0.87 0.00 0.00 54.58 55.38 2g2k n ASN 148 Cb 0.49 -3.91 0.02 0.00 -1.02 0.00 0.00 39.78 35.36 2g2k n ASN 148 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2g2k n SER 149 N -1.10 -5.47 -4.82 6.41 7.64 -1.24 -4.90 113.62 110.14 2g2k n SER 149 Ca -0.07 -0.51 -0.32 0.00 1.01 0.00 0.00 58.87 58.97 2g2k n SER 149 Cb 0.56 -2.11 -0.00 0.00 -1.01 0.00 0.00 64.21 61.65 2g2k n SER 149 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2g2k s ASP 150 N -2.38 6.08 -0.80 6.43 2.15 -1.23 -4.88 116.67 122.04 2g2k s ASP 150 Ca 0.16 1.67 -0.06 0.00 0.43 0.00 0.00 52.55 54.76 2g2k s ASP 150 Cb -0.02 -2.51 -0.08 0.00 -0.30 0.00 0.00 42.92 40.01 2g2k s ASP 150 CO 0.87 -0.96 2.28 -1.20 -0.17 0.00 0.00 175.17 176.00 2g2k n SER 151 N -2.05 5.02 -4.42 -0.34 7.64 -1.26 -4.79 113.62 113.41 2g2k n SER 151 Ca 0.08 -2.30 -0.45 0.00 1.01 0.00 0.00 58.87 57.21 2g2k n SER 151 Cb 0.53 -1.10 -0.02 0.00 -1.01 0.00 0.00 64.21 62.61 2g2k n SER 151 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2g2k s GLY 152 N 3.04 2.11 0.00 0.23 0.00 -1.26 -5.03 107.32 106.41 2g2k s GLY 152 Ca 0.43 -2.88 0.00 0.00 0.00 0.00 0.00 44.72 42.28 2g2k s GLY 152 CO -0.03 1.80 0.00 2.41 0.00 0.00 0.00 173.10 177.28 2g2k n THR 153 N 5.11 0.00 0.00 0.90 -1.04 -1.26 -4.99 114.28 113.00 2g2k n THR 153 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 2g2k n THR 153 Cb 0.48 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 2g2k n THR 153 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2g2k n GLY 154 N 2.38 0.42 3.52 3.41 0.00 -1.26 -5.05 105.19 108.61 2g2k n GLY 154 Ca 0.00 -2.31 -0.25 0.00 0.00 0.00 0.00 46.02 43.46 2g2k n GLY 154 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2g2k n LYS 155 N -0.31 -1.74 0.00 1.61 4.81 -1.26 -5.32 118.16 115.94 2g2k n LYS 155 Ca 0.00 0.61 0.07 0.00 -0.87 0.00 0.00 58.31 58.13 2g2k n LYS 155 Cb 0.00 -4.79 0.06 0.00 0.02 0.00 0.00 35.03 30.32 2g2k n LYS 155 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20