#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 2.94 -1.21 1.96 2.88 -1.26 -5.07 113.62 113.86 2g2k n SER 2 Ca 0.00 -1.95 0.14 0.00 -1.33 0.00 0.00 58.87 55.73 2g2k n SER 2 Cb 0.00 -0.06 -0.06 0.00 -0.75 0.00 0.00 64.21 63.35 2g2k n SER 2 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2g2k n VAL 3 N 1.26 -0.16 -3.26 2.46 0.31 -1.26 -4.63 118.33 113.04 2g2k n VAL 3 Ca 0.16 0.45 -0.40 0.00 -0.01 0.00 0.00 64.34 64.53 2g2k n VAL 3 Cb 0.58 -0.81 -0.08 0.00 -0.91 0.00 0.00 33.84 32.62 2g2k n VAL 3 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2g2k s ASN 4 N -6.26 6.35 0.60 4.52 -0.87 -1.26 -4.93 114.94 113.10 2g2k s ASN 4 Ca 0.00 0.25 0.34 0.00 -1.57 0.00 0.00 52.86 51.88 2g2k s ASN 4 Cb 0.00 -2.26 1.93 0.00 -0.02 0.00 0.00 41.25 40.89 2g2k s ASN 4 CO 0.00 -0.36 2.25 1.62 -2.57 0.00 0.00 177.10 178.04 2g2k h VAL 5 N 5.49 0.34 -0.46 1.60 3.04 -2.03 -0.75 116.25 123.48 2g2k h VAL 5 Ca -0.29 -0.13 -0.09 0.00 -1.01 0.00 0.00 66.70 65.18 2g2k h VAL 5 Cb 1.14 1.10 -0.05 0.00 -2.01 0.00 0.00 31.29 31.46 2g2k h VAL 5 CO 0.73 0.02 0.12 0.59 -1.01 0.00 0.00 177.57 178.02 2g2k n ASN 6 N -3.52 4.02 0.13 3.17 4.13 -1.26 -4.27 115.26 117.65 2g2k n ASN 6 Ca -0.03 -2.75 0.12 0.00 1.68 0.00 0.00 54.58 53.61 2g2k n ASN 6 Cb 0.12 -0.65 0.49 0.00 -1.54 0.00 0.00 39.78 38.19 2g2k n ASN 6 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 2g2k n ARG 7 N 0.15 0.19 -0.11 3.52 0.63 -0.29 -1.94 116.66 118.81 2g2k n ARG 7 Ca 0.24 0.42 0.11 0.00 -0.92 0.00 0.00 57.85 57.70 2g2k n ARG 7 Cb 1.00 -1.86 0.31 0.00 0.45 0.00 0.00 32.46 32.36 2g2k n ARG 7 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2g2k n SER 8 N -2.21 2.30 -3.83 6.15 2.88 -1.26 -4.88 113.62 112.77 2g2k n SER 8 Ca 0.02 -1.81 -0.12 0.00 -1.33 0.00 0.00 58.87 55.63 2g2k n SER 8 Cb 0.23 -0.14 -0.11 0.00 -0.75 0.00 0.00 64.21 63.43 2g2k n SER 8 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2g2k s VAL 9 N -1.71 0.03 -0.10 2.46 0.11 -0.82 -5.09 120.40 115.29 2g2k s VAL 9 Ca 0.34 -0.27 -0.09 0.00 -2.93 0.00 0.00 61.98 59.03 2g2k s VAL 9 Cb 0.19 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.66 2g2k s VAL 9 CO 0.28 -0.15 -0.18 0.80 -3.33 0.00 0.00 175.10 172.52 2g2k n MET 10 N 2.34 0.29 -2.93 1.54 1.56 -1.26 -4.87 117.12 113.79 2g2k n MET 10 Ca -0.17 0.16 -0.43 0.00 -0.27 0.00 0.00 57.70 57.00 2g2k n MET 10 Cb 0.57 -1.05 -0.05 0.00 2.15 0.00 0.00 33.22 34.84 2g2k n MET 10 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 2g2k s ASP 11 N -5.01 6.48 0.28 6.12 -4.77 -1.26 -4.89 116.67 113.62 2g2k s ASP 11 Ca -0.15 0.10 0.25 0.00 -3.30 0.00 0.00 52.55 49.45 2g2k s ASP 11 Cb 0.02 -2.40 0.61 0.00 -1.09 0.00 0.00 42.92 40.06 2g2k s ASP 11 CO 0.22 -0.88 1.68 0.06 0.70 0.00 0.00 175.17 176.94 2g2k h GLN 12 N 8.83 0.00 -0.09 2.11 -0.00 -1.97 -3.15 115.11 120.84 2g2k h GLN 12 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 2g2k h GLN 12 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.57 2g2k h GLN 12 CO 0.96 0.00 0.00 0.34 -0.00 0.00 0.00 178.83 180.13 2g2k n PHE 13 N -2.54 0.11 0.27 0.06 7.35 -1.26 -3.18 117.46 118.27 2g2k n PHE 13 Ca 0.05 -0.06 0.15 0.00 -0.76 0.00 0.00 57.45 56.83 2g2k n PHE 13 Cb 0.47 0.00 0.68 0.00 0.35 0.00 0.00 39.48 40.98 2g2k n PHE 13 CO 0.00 0.00 0.00 0.10 -0.76 0.00 0.00 176.76 176.10 2g2k h TYR 14 N 0.50 0.00 0.00 -5.13 -0.00 -1.97 -3.38 116.97 107.00 2g2k h TYR 14 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.68 2g2k h TYR 14 Cb 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 36.80 2g2k h TYR 14 CO 0.06 0.08 -0.11 -2.13 -0.00 0.00 0.00 178.16 176.07 2g2k n ARG 15 N -3.27 0.09 -4.04 0.10 0.63 -1.25 -5.13 116.66 103.79 2g2k n ARG 15 Ca -0.00 -0.38 -0.17 0.00 -0.92 0.00 0.00 57.85 56.37 2g2k n ARG 15 Cb 0.31 0.44 -0.16 0.00 0.45 0.00 0.00 32.46 33.50 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 0.01 0.44 0.19 -0.14 2.02 -1.19 -5.15 117.35 113.52 2g2k s TYR 16 Ca 0.01 -0.07 0.10 0.00 -0.37 0.00 0.00 57.07 56.73 2g2k s TYR 16 Cb 0.03 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 41.11 2g2k s TYR 16 CO -0.01 -0.12 -0.13 0.21 -1.57 0.00 0.00 175.55 173.93 2g2k s LYS 17 N 0.72 1.91 0.26 -0.62 2.47 -1.26 -4.59 119.74 118.64 2g2k s LYS 17 Ca -0.08 -1.35 0.07 0.00 -1.56 0.00 0.00 55.97 53.06 2g2k s LYS 17 Cb -0.11 -2.07 -0.05 0.00 -1.46 0.00 0.00 37.83 34.13 2g2k s LYS 17 CO -0.01 0.42 -0.09 -1.64 0.16 0.00 0.00 175.35 174.20 2g2k s MET 18 N -2.80 1.50 0.00 4.03 -1.94 -1.26 -5.11 119.30 113.71 2g2k s MET 18 Ca 0.24 -1.73 0.00 0.00 -1.71 0.00 0.00 55.69 52.49 2g2k s MET 18 Cb -0.08 -1.18 0.00 0.00 2.01 0.00 0.00 34.83 35.57 2g2k s MET 18 CO 0.14 0.09 0.00 -0.35 -0.01 0.00 0.00 175.02 174.89 2g2k n PRO 19 N -0.53 0.00 -1.27 2.03 -0.04 -1.26 -5.03 135.00 128.90 2g2k n PRO 19 Ca -0.06 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.56 2g2k n PRO 19 Cb 0.62 -0.17 -0.06 0.00 -0.04 0.00 0.00 33.50 33.86 2g2k n PRO 19 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2g2k n ARG 20 N 0.00 -2.72 -3.08 0.54 3.00 -1.26 -4.73 116.66 108.42 2g2k n ARG 20 Ca 0.00 1.99 -0.39 0.00 -0.00 0.00 0.00 57.85 59.44 2g2k n ARG 20 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 32.46 29.16 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 -6.89 4.31 -0.05 6.15 2.96 -1.26 -4.81 118.68 119.10 2g2k s LEU 21 Ca 0.00 1.14 0.01 0.00 -0.22 0.00 0.00 54.13 55.07 2g2k s LEU 21 Cb 0.00 -3.03 0.02 0.00 0.50 0.00 0.00 46.19 43.68 2g2k s LEU 21 CO 0.00 -0.10 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.24 2g2k s ILE 22 N 0.75 0.72 0.09 6.68 -1.09 -1.26 -4.24 121.20 122.85 2g2k s ILE 22 Ca 0.36 -0.23 0.08 0.00 -2.23 0.00 0.00 60.65 58.62 2g2k s ILE 22 Cb -0.17 -0.71 -0.03 0.00 -1.58 0.00 0.00 42.46 39.96 2g2k s ILE 22 CO 0.17 0.27 -0.20 0.00 -1.23 0.00 0.00 174.94 173.95 2g2k s ALA 23 N 0.84 1.70 -0.05 9.38 0.00 -1.26 -4.45 121.76 127.93 2g2k s ALA 23 Ca -0.12 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 50.70 2g2k s ALA 23 Cb -0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2g2k s ALA 23 CO 0.01 0.34 -0.18 0.21 0.00 0.00 0.00 175.76 176.14 2g2k s LYS 24 N -1.77 2.51 -0.11 0.00 2.47 -0.98 -4.43 119.74 117.42 2g2k s LYS 24 Ca 0.05 -0.77 -0.17 0.00 -1.56 0.00 0.00 55.97 53.52 2g2k s LYS 24 Cb -0.10 -2.30 -0.05 0.00 -1.46 0.00 0.00 37.83 33.93 2g2k s LYS 24 CO 0.04 0.54 0.43 0.14 0.16 0.00 0.00 175.35 176.65 2g2k s VAL 25 N -0.53 5.19 0.22 4.02 -7.23 -1.26 0.06 120.40 120.86 2g2k s VAL 25 Ca 0.07 0.85 0.00 0.00 -1.81 0.00 0.00 61.98 61.09 2g2k s VAL 25 Cb -0.11 -3.76 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 2g2k s VAL 25 CO 0.01 0.38 0.11 -1.61 -0.31 0.00 0.00 175.10 173.67 2g2k s GLU 26 N 0.34 1.27 -1.25 4.82 2.02 0.67 -4.83 118.70 121.74 2g2k s GLU 26 Ca 0.24 -1.67 -0.00 0.00 0.02 0.00 0.00 54.97 53.55 2g2k s GLU 26 Cb -0.15 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.09 2g2k s GLU 26 CO 0.09 -0.33 0.01 0.41 0.02 0.00 0.00 175.26 175.47 2g2k n GLY 27 N -0.34 -0.23 3.97 -1.39 0.00 -1.26 0.27 105.19 106.20 2g2k n GLY 27 Ca 0.00 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 2g2k n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g2k s LYS 28 N -4.75 1.78 0.00 1.61 -2.85 -1.26 0.30 119.74 114.57 2g2k s LYS 28 Ca 0.01 -0.82 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 2g2k s LYS 28 Cb -0.00 -2.27 0.00 0.00 -2.06 0.00 0.00 37.83 33.50 2g2k s LYS 28 CO 0.01 -1.41 0.00 0.41 0.10 0.00 0.00 175.35 174.46 2g2k n GLY 29 N -2.88 1.76 0.01 0.59 0.00 -1.26 -4.06 105.19 99.34 2g2k n GLY 29 Ca 0.13 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.10 2g2k n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2g2k n ASN 30 N 3.80 0.45 0.00 1.61 0.23 -1.26 -5.00 115.26 115.10 2g2k n ASN 30 Ca 0.00 -0.45 0.00 0.00 -0.53 0.00 0.00 54.58 53.60 2g2k n ASN 30 Cb 0.00 1.54 0.00 0.00 -2.08 0.00 0.00 39.78 39.24 2g2k n ASN 30 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2g2k n GLY 31 N 1.37 1.59 0.00 4.83 0.00 -1.02 -5.16 105.19 106.80 2g2k n GLY 31 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.22 -0.61 2.08 0.89 -4.61 119.36 112.89 2g2k n ILE 32 Ca 0.00 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.12 2g2k n ILE 32 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 38.77 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 -0.04 0.96 -0.16 0.38 2.20 0.78 -2.07 119.74 121.79 2g2k s LYS 33 Ca 0.00 -1.13 -0.02 0.00 -0.36 0.00 0.00 55.97 54.45 2g2k s LYS 33 Cb 0.00 -0.92 -0.02 0.00 -1.51 0.00 0.00 37.83 35.38 2g2k s LYS 33 CO 0.00 0.19 -0.07 0.99 -0.36 0.00 0.00 175.35 176.10 2g2k s THR 34 N -1.75 3.53 -0.22 3.43 2.01 0.97 0.24 115.64 123.85 2g2k s THR 34 Ca 0.05 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.57 2g2k s THR 34 Cb -0.07 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.93 2g2k s THR 34 CO 0.03 0.49 -0.13 0.54 -0.69 0.00 0.00 174.62 174.86 2g2k s VAL 35 N 0.52 2.44 -0.38 3.82 0.11 0.11 0.21 120.40 127.23 2g2k s VAL 35 Ca -0.05 -1.02 -0.17 0.00 -2.93 0.00 0.00 61.98 57.81 2g2k s VAL 35 Cb -0.15 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.54 2g2k s VAL 35 CO 0.03 0.35 0.43 -0.63 -3.33 0.00 0.00 175.10 171.95 2g2k s ILE 36 N 1.29 5.09 -0.57 7.04 1.01 -0.75 -2.32 121.20 131.98 2g2k s ILE 36 Ca 0.02 -0.05 0.21 0.00 0.00 0.00 0.00 60.65 60.83 2g2k s ILE 36 Cb -0.15 -3.95 -0.28 0.00 0.01 0.00 0.00 42.46 38.09 2g2k s ILE 36 CO -0.08 -0.27 0.71 0.55 0.00 0.00 0.00 174.94 175.85 2g2k n VAL 37 N 5.38 0.00 -0.28 2.92 3.14 -1.26 -4.16 118.33 124.06 2g2k n VAL 37 Ca -0.07 -0.22 0.06 0.00 -2.96 0.00 0.00 64.34 61.15 2g2k n VAL 37 Cb 0.48 0.56 0.16 0.00 -1.06 0.00 0.00 33.84 33.99 2g2k n VAL 37 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2g2k n ASN 38 N -1.83 3.04 -0.14 6.55 5.03 -1.26 -4.62 115.26 122.02 2g2k n ASN 38 Ca 0.00 -2.14 -0.08 0.00 0.87 0.00 0.00 54.58 53.23 2g2k n ASN 38 Cb 0.43 -0.27 -0.00 0.00 -1.02 0.00 0.00 39.78 38.92 2g2k n ASN 38 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 2g2k h MET 39 N 1.94 0.58 -0.09 3.52 4.05 -1.82 0.31 114.93 123.43 2g2k h MET 39 Ca 0.00 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.31 2g2k h MET 39 Cb 0.82 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.51 2g2k h MET 39 CO 0.03 0.47 -0.10 0.28 0.23 0.00 0.00 176.91 177.82 2g2k h VAL 40 N 0.53 1.38 0.00 -5.77 2.07 -1.89 0.16 116.25 112.73 2g2k h VAL 40 Ca 0.14 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 2g2k h VAL 40 Cb 0.07 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2g2k h VAL 40 CO -0.02 0.37 -0.00 -0.78 0.02 0.00 0.00 177.57 177.15 2g2k h ASP 41 N -0.21 -0.00 -0.22 0.57 3.58 -1.82 0.40 116.42 118.71 2g2k h ASP 41 Ca 0.01 -0.18 -0.06 0.00 0.42 0.00 0.00 57.03 57.21 2g2k h ASP 41 Cb 0.64 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2g2k h ASP 41 CO 0.02 0.18 -0.11 0.58 -2.88 0.00 0.00 179.24 177.04 2g2k h VAL 42 N -0.18 1.30 -0.50 2.25 2.07 -0.45 -1.41 116.25 119.33 2g2k h VAL 42 Ca -0.00 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 2g2k h VAL 42 Cb 0.18 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2g2k h VAL 42 CO 0.00 0.36 -0.12 0.00 0.02 0.00 0.00 177.57 177.83 2g2k h ALA 43 N 0.71 0.82 -0.47 1.67 0.00 -0.67 -2.28 119.26 119.04 2g2k h ALA 43 Ca 0.05 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2g2k h ALA 43 Cb 0.61 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2g2k h ALA 43 CO 0.03 0.66 -0.13 0.87 0.00 0.00 0.00 179.25 180.68 2g2k h LYS 44 N 0.85 0.92 0.00 0.00 1.79 -0.07 2.32 116.57 122.37 2g2k h LYS 44 Ca 0.13 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2g2k h LYS 44 Cb 0.67 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2g2k h LYS 44 CO 0.05 1.01 0.00 0.00 -1.08 0.00 0.00 179.45 179.43 2g2k h ALA 45 N 0.88 1.00 -0.00 3.86 0.00 -1.15 -3.10 119.26 120.75 2g2k h ALA 45 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2g2k h ALA 45 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2g2k h ALA 45 CO 0.05 0.00 -0.11 -0.11 0.00 0.00 0.00 179.25 179.07 2g2k n LEU 46 N -2.75 0.23 0.00 0.00 0.00 -0.87 -5.09 117.00 108.52 2g2k n LEU 46 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 56.01 55.48 2g2k n LEU 46 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.70 2g2k n LEU 46 CO 0.25 0.05 0.00 0.59 0.00 0.00 0.00 177.39 178.28 2g2k n ASN 47 N -0.95 0.00 -4.93 1.96 4.13 0.78 -5.04 115.26 111.21 2g2k n ASN 47 Ca 0.01 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.03 2g2k n ASN 47 Cb 0.04 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.34 2g2k n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2g2k s ARG 48 N -1.23 2.31 0.17 3.52 1.70 -1.22 -2.93 118.95 121.27 2g2k s ARG 48 Ca 0.00 -0.55 -0.30 0.00 -0.47 0.00 0.00 55.73 54.41 2g2k s ARG 48 Cb 0.00 -2.32 -0.08 0.00 -0.57 0.00 0.00 34.95 31.98 2g2k s ARG 48 CO 0.00 -1.02 1.13 -1.25 -1.08 0.00 0.00 175.30 173.09 2g2k s PRO 49 N -5.02 4.55 0.00 3.89 0.04 -1.26 -4.49 135.00 132.71 2g2k s PRO 49 Ca 0.59 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2g2k s PRO 49 Cb -0.10 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2g2k s PRO 49 CO 0.42 0.00 0.47 -0.35 0.04 0.00 0.00 177.00 177.58 2g2k n PRO 50 N 2.51 0.91 0.29 0.56 -0.04 -1.26 -4.15 135.00 133.81 2g2k n PRO 50 Ca 0.04 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.68 2g2k n PRO 50 Cb 0.46 -1.44 0.95 0.00 -0.04 0.00 0.00 33.50 33.43 2g2k n PRO 50 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2g2k h THR 51 N 0.00 0.16 0.00 0.52 2.02 -1.98 0.19 112.91 113.82 2g2k h THR 51 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2g2k h THR 51 Cb 0.47 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2g2k h THR 51 CO 0.00 0.00 -0.34 1.88 0.37 0.00 0.00 175.52 177.43 2g2k h TYR 52 N 0.00 0.00 0.00 3.16 -1.99 -2.01 -3.35 116.97 112.78 2g2k h TYR 52 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2g2k h TYR 52 Cb 0.40 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.13 2g2k h TYR 52 CO 0.00 0.19 0.00 -0.35 -0.00 0.00 0.00 178.16 178.00 2g2k n PRO 53 N -4.66 0.66 0.32 4.88 -0.04 -1.10 -3.52 135.00 131.53 2g2k n PRO 53 Ca -0.07 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.58 2g2k n PRO 53 Cb 0.21 -1.48 0.98 0.00 -0.04 0.00 0.00 33.50 33.17 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 0.08 -0.20 0.52 1.35 -0.77 -1.07 112.91 112.83 2g2k h THR 54 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.65 2g2k h THR 54 Cb 0.00 0.83 0.01 0.00 -1.73 0.00 0.00 68.15 67.25 2g2k h THR 54 CO 0.00 0.00 -0.71 0.11 -0.25 0.00 0.00 175.52 174.67 2g2k h LYS 55 N 0.00 0.83 0.06 4.72 1.57 -1.85 -2.92 116.57 118.98 2g2k h LYS 55 Ca 0.02 -0.63 0.01 0.00 -1.87 0.00 0.00 60.65 58.17 2g2k h LYS 55 Cb 0.38 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2g2k h LYS 55 CO -0.00 1.24 -0.07 -0.92 -0.57 0.00 0.00 179.45 179.13 2g2k h TYR 56 N 0.59 -0.18 -0.71 -1.35 3.20 -1.48 -1.48 116.97 115.55 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 1.34 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.63 2g2k h TYR 56 CO 0.08 -0.11 0.42 0.74 -1.64 0.00 0.00 178.16 177.65 2g2k h PHE 57 N -0.15 0.78 -0.56 -3.82 0.04 -1.62 -1.03 116.94 110.58 2g2k h PHE 57 Ca 0.01 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.82 2g2k h PHE 57 Cb 0.16 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 2g2k h PHE 57 CO -0.11 0.41 0.37 0.78 -0.60 0.00 0.00 178.31 179.16 2g2k h GLY 58 N 0.80 0.77 0.91 -1.45 0.00 -1.25 -1.51 103.07 101.33 2g2k h GLY 58 Ca 0.30 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.43 2g2k h GLY 58 CO -0.15 0.27 0.53 0.00 0.00 0.00 0.00 176.54 177.18 2g2k h GLU 60 N 0.85 0.07 -0.16 0.00 5.08 -1.20 -2.76 114.58 116.46 2g2k h GLU 60 Ca 0.36 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2g2k h GLU 60 Cb 0.29 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2g2k h GLU 60 CO -0.13 0.36 0.00 1.47 -1.00 0.00 0.00 179.01 179.71 2g2k n LEU 61 N -4.89 0.19 0.00 1.33 -0.00 -0.95 -4.81 117.00 107.86 2g2k n LEU 61 Ca -0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 2g2k n LEU 61 Cb 0.18 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 2g2k n LEU 61 CO 0.34 0.05 0.00 0.61 -0.00 0.00 0.00 177.39 178.39 2g2k n GLY 62 N 0.43 0.25 3.61 1.47 0.00 -0.63 -4.90 105.19 105.42 2g2k n GLY 62 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.66 3.13 0.00 4.61 0.00 -0.17 -4.95 121.76 122.72 2g2k s ALA 63 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.03 2g2k s ALA 63 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2g2k s ALA 63 CO 0.00 0.11 0.00 1.04 0.00 0.00 0.00 175.76 176.91 2g2k n GLN 64 N -0.90 0.00 -4.04 0.00 1.13 -1.26 -3.12 117.38 109.20 2g2k n GLN 64 Ca -0.05 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.92 2g2k n GLN 64 Cb 0.62 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.91 2g2k n GLN 64 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2g2k s THR 65 N 3.04 0.00 -0.05 5.09 -4.23 -1.26 -3.31 115.64 114.93 2g2k s THR 65 Ca 0.00 -1.52 -0.04 0.00 -1.18 0.00 0.00 61.69 58.94 2g2k s THR 65 Cb 0.00 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.58 2g2k s THR 65 CO 0.00 0.00 0.13 -1.58 -0.54 0.00 0.00 174.62 172.63 2g2k s GLN 66 N -4.02 0.14 -0.00 3.99 0.74 0.55 -4.77 119.66 116.30 2g2k s GLN 66 Ca 0.26 0.19 0.06 0.00 0.05 0.00 0.00 55.36 55.91 2g2k s GLN 66 Cb 0.01 0.05 -0.02 0.00 1.10 0.00 0.00 33.01 34.16 2g2k s GLN 66 CO 0.10 -0.03 -0.17 -0.06 -0.55 0.00 0.00 175.29 174.58 2g2k s PHE 67 N 0.14 1.55 -0.19 1.67 0.08 -1.26 -0.86 117.98 119.11 2g2k s PHE 67 Ca -0.01 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.75 2g2k s PHE 67 Cb -0.02 -0.98 0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2g2k s PHE 67 CO -0.00 -0.01 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.45 2g2k s ASP 68 N -0.57 3.24 -0.09 1.36 1.11 -0.35 -4.98 116.67 116.40 2g2k s ASP 68 Ca 0.06 -0.76 -0.04 0.00 0.18 0.00 0.00 52.55 52.00 2g2k s ASP 68 Cb -0.07 -1.35 -0.01 0.00 1.07 0.00 0.00 42.92 42.56 2g2k s ASP 68 CO -0.00 -0.07 -0.07 0.58 1.18 0.00 0.00 175.17 176.78 2g2k h VAL 69 N 6.18 0.00 0.00 -1.27 2.07 -1.94 1.03 116.25 122.32 2g2k h VAL 69 Ca -0.36 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.46 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 0.55 0.00 0.21 0.50 0.02 0.00 0.00 177.57 178.85 2g2k h LYS 70 N -0.70 0.00 0.00 1.57 3.64 -1.99 -0.36 116.57 118.74 2g2k h LYS 70 Ca 0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 2g2k h LYS 70 Cb 0.21 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 2g2k h LYS 70 CO 0.00 0.00 -2.00 0.09 -2.27 0.00 0.00 179.45 175.27 2g2k n ASN 71 N -2.55 1.35 -0.49 4.20 3.02 -1.25 -4.99 115.26 114.56 2g2k n ASN 71 Ca -0.02 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.47 2g2k n ASN 71 Cb 0.25 0.92 -0.03 0.00 -0.61 0.00 0.00 39.78 40.31 2g2k n ASN 71 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2g2k n ASP 72 N -2.52 -4.24 -4.38 6.41 8.00 0.35 -4.99 116.55 115.19 2g2k n ASP 72 Ca -0.23 0.16 -0.33 0.00 0.71 0.00 0.00 54.79 55.10 2g2k n ASP 72 Cb 0.95 -2.30 -0.14 0.00 -0.02 0.00 0.00 41.12 39.60 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 -2.16 3.41 -0.07 -1.24 0.52 -1.03 -4.91 118.95 113.46 2g2k s ARG 73 Ca 0.00 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 2g2k s ARG 73 Cb 0.00 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 2g2k s ARG 73 CO 0.00 0.20 -0.12 0.71 0.02 0.00 0.00 175.30 176.11 2g2k s TYR 74 N 0.39 2.77 0.06 -0.53 2.02 -1.26 -1.21 117.35 119.59 2g2k s TYR 74 Ca -0.10 -0.21 0.05 0.00 -0.37 0.00 0.00 57.07 56.43 2g2k s TYR 74 Cb -0.16 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 2g2k s TYR 74 CO 0.05 0.14 -0.13 0.42 -1.57 0.00 0.00 175.55 174.46 2g2k s ILE 75 N -0.52 1.01 -0.07 2.71 1.01 -0.04 -1.82 121.20 123.48 2g2k s ILE 75 Ca 0.07 -1.15 0.03 0.00 0.00 0.00 0.00 60.65 59.60 2g2k s ILE 75 Cb -0.12 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 2g2k s ILE 75 CO 0.02 -0.17 -0.14 -0.69 0.00 0.00 0.00 174.94 173.96 2g2k s VAL 76 N -1.13 3.08 0.42 2.92 1.01 0.56 0.21 120.40 127.47 2g2k s VAL 76 Ca -0.02 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.00 2g2k s VAL 76 Cb -0.09 -2.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.97 2g2k s VAL 76 CO 0.02 0.58 1.34 0.59 0.00 0.00 0.00 175.10 177.62 2g2k n ASN 77 N 2.58 2.92 0.00 3.32 3.02 -1.21 -0.32 115.26 125.57 2g2k n ASN 77 Ca -0.17 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 2g2k n ASN 77 Cb 0.52 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 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 0.70 -1.60 3.54 7.41 0.00 -0.88 -4.50 105.19 109.86 2g2k n GLY 78 Ca 0.06 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.49 6.07 -0.12 1.61 1.04 -1.23 -0.02 113.70 118.56 2g2k s SER 79 Ca 0.00 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.05 2g2k s SER 79 Cb 0.00 -2.14 0.06 0.00 0.10 0.00 0.00 66.02 64.03 2g2k s SER 79 CO 0.00 -0.22 0.16 -1.38 0.98 0.00 0.00 173.24 172.78 2g2k s HIS 80 N 1.76 -0.15 0.68 5.02 -3.43 -1.26 -4.96 115.29 112.95 2g2k s HIS 80 Ca 0.07 0.43 -0.16 0.00 -0.80 0.00 0.00 55.06 54.61 2g2k s HIS 80 Cb -0.17 -0.33 0.01 0.00 -1.43 0.00 0.00 32.58 30.66 2g2k s HIS 80 CO 0.11 -0.36 1.17 -2.00 -2.00 0.00 0.00 174.74 171.66 2g2k s GLU 81 N 2.28 2.52 0.23 -0.38 2.12 -1.26 -4.77 118.70 119.45 2g2k s GLU 81 Ca 0.04 1.62 -0.06 0.00 0.36 0.00 0.00 54.97 56.93 2g2k s GLU 81 Cb -0.13 -1.89 0.40 0.00 0.26 0.00 0.00 34.13 32.76 2g2k s GLU 81 CO -0.07 -1.51 1.74 0.00 -0.54 0.00 0.00 175.26 174.87 2g2k h ALA 82 N 0.02 0.97 -0.23 6.30 0.00 -1.79 0.28 119.26 124.81 2g2k h ALA 82 Ca -0.48 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2g2k h ALA 82 Cb 1.28 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2g2k h ALA 82 CO 0.52 -0.19 -0.15 -0.97 0.00 0.00 0.00 179.25 178.45 2g2k h ASN 83 N 0.44 0.37 -0.59 0.00 -0.73 -1.91 -2.39 115.58 110.78 2g2k h ASN 83 Ca 0.38 -0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.44 2g2k h ASN 83 Cb 0.54 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 39.00 2g2k h ASN 83 CO -0.37 0.56 0.34 0.50 -0.37 0.00 0.00 177.43 178.08 2g2k h LYS 84 N 0.36 0.83 -0.96 6.67 3.64 -0.80 -2.28 116.57 124.03 2g2k h LYS 84 Ca 0.07 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2g2k h LYS 84 Cb 0.49 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 2g2k h LYS 84 CO 0.03 0.61 0.63 -0.07 -2.27 0.00 0.00 179.45 178.38 2g2k h LEU 85 N 0.84 1.07 -1.36 5.20 -0.00 -0.75 0.26 115.31 120.58 2g2k h LEU 85 Ca 0.22 -0.02 0.03 0.00 -0.00 0.00 0.00 57.88 58.11 2g2k h LEU 85 Cb 0.02 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.38 2g2k h LEU 85 CO -0.04 0.76 0.46 -0.61 -0.00 0.00 0.00 178.44 179.01 2g2k h GLN 86 N 1.26 0.81 -0.18 1.13 4.15 -1.46 -0.29 115.11 120.53 2g2k h GLN 86 Ca 0.36 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.62 2g2k h GLN 86 Cb -0.08 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 2g2k h GLN 86 CO -0.09 0.54 -0.38 0.22 -1.93 0.00 0.00 178.83 177.18 2g2k h ASP 87 N 0.84 0.40 -0.23 -0.69 3.58 -0.94 -3.04 116.42 116.34 2g2k h ASP 87 Ca 0.28 -0.17 0.04 0.00 0.42 0.00 0.00 57.03 57.60 2g2k h ASP 87 Cb 0.06 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2g2k h ASP 87 CO -0.08 0.75 -0.02 0.24 -2.88 0.00 0.00 179.24 177.25 2g2k h MET 88 N 0.33 0.04 -0.28 0.28 2.86 0.22 0.61 114.93 118.99 2g2k h MET 88 Ca 0.03 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2g2k h MET 88 Cb 0.82 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2g2k h MET 88 CO 0.07 0.03 0.19 1.25 1.06 0.00 0.00 176.91 179.51 2g2k h LEU 89 N 0.04 0.14 -0.24 1.22 5.85 -1.49 -1.29 115.31 119.55 2g2k h LEU 89 Ca 0.11 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2g2k h LEU 89 Cb 0.15 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2g2k h LEU 89 CO -0.21 0.10 0.04 -0.78 -0.34 0.00 0.00 178.44 177.25 2g2k h ASP 90 N 0.17 0.38 -0.12 1.25 1.82 0.19 -1.68 116.42 118.43 2g2k h ASP 90 Ca 0.12 -0.25 -0.00 0.00 -0.39 0.00 0.00 57.03 56.51 2g2k h ASP 90 Cb 0.28 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 2g2k h ASP 90 CO -0.02 0.54 0.06 1.23 -1.61 0.00 0.00 179.24 179.43 2g2k h GLY 91 N 0.21 0.19 0.94 -0.78 0.00 0.43 0.57 103.07 104.64 2g2k h GLY 91 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2g2k h GLY 91 CO 0.00 0.09 -0.11 0.74 0.00 0.00 0.00 176.54 177.26 2g2k h PHE 92 N 0.07 -0.30 -0.28 5.60 -1.00 -1.43 0.42 116.94 120.02 2g2k h PHE 92 Ca 0.04 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.77 2g2k h PHE 92 Cb 0.13 0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 2g2k h PHE 92 CO -0.03 -0.14 0.02 0.97 -1.61 0.00 0.00 178.31 177.52 2g2k h ILE 93 N -0.38 1.25 0.00 -0.55 2.10 -1.27 -2.97 117.51 115.69 2g2k h ILE 93 Ca -0.03 -0.87 -0.07 0.00 1.08 0.00 0.00 64.86 64.97 2g2k h ILE 93 Cb 0.29 1.27 -0.01 0.00 -1.09 0.00 0.00 36.82 37.28 2g2k h ILE 93 CO 0.05 0.28 -0.31 0.50 -1.08 0.00 0.00 178.15 177.59 2g2k h LYS 94 N 0.28 0.00 -0.74 2.19 3.64 0.23 0.24 116.57 122.42 2g2k h LYS 94 Ca 0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2g2k h LYS 94 Cb 0.39 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 2g2k h LYS 94 CO 0.01 0.31 0.42 0.87 -2.27 0.00 0.00 179.45 178.79 2g2k h LYS 95 N 0.00 1.03 0.00 1.90 1.57 0.01 -3.21 116.57 117.87 2g2k h LYS 95 Ca -0.00 -0.11 -0.20 0.00 -1.87 0.00 0.00 60.65 58.47 2g2k h LYS 95 Cb 0.65 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 2g2k h LYS 95 CO 0.04 0.76 -1.74 1.97 -0.57 0.00 0.00 179.45 179.90 2g2k n PHE 96 N -4.47 0.00 0.17 -1.35 1.16 -1.18 -4.44 117.46 107.35 2g2k n PHE 96 Ca 0.07 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.75 2g2k n PHE 96 Cb 0.08 -0.53 0.54 0.00 -1.61 0.00 0.00 39.48 37.97 2g2k n PHE 96 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2g2k n VAL 97 N -2.51 0.91 -0.67 1.97 0.31 0.85 -2.77 118.33 116.43 2g2k n VAL 97 Ca -0.19 0.75 -0.05 0.00 -0.01 0.00 0.00 64.34 64.84 2g2k n VAL 97 Cb 0.83 -1.75 -0.07 0.00 -0.91 0.00 0.00 33.84 31.94 2g2k n VAL 97 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2g2k n LEU 98 N -2.22 4.80 -4.82 7.52 4.32 -1.21 -3.02 117.00 122.36 2g2k n LEU 98 Ca -0.01 -2.53 -0.32 0.00 -0.02 0.00 0.00 56.01 53.12 2g2k n LEU 98 Cb 0.11 -1.15 0.00 0.00 -1.62 0.00 0.00 43.42 40.76 2g2k n LEU 98 CO 0.09 1.19 0.71 0.00 -1.22 0.00 0.00 177.39 178.15 2g2k n PRO 100 N -2.07 0.42 0.00 0.00 -0.04 -1.26 0.93 135.00 132.98 2g2k n PRO 100 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2g2k n PRO 100 Cb 0.53 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.97 -0.51 -0.56 0.54 1.02 -1.26 -4.80 120.64 114.10 2g2k n GLU 101 Ca 0.09 -0.47 -0.02 0.00 -0.02 0.00 0.00 57.16 56.74 2g2k n GLU 101 Cb 0.04 -0.89 -0.02 0.00 -0.02 0.00 0.00 31.44 30.55 2g2k n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2g2k n GLU 103 N 0.00 1.73 0.13 0.00 0.00 0.26 -3.62 120.64 119.14 2g2k n GLU 103 Ca -0.07 -1.01 0.00 0.00 0.00 0.00 0.00 57.16 56.08 2g2k n GLU 103 Cb 0.47 -2.09 0.00 0.00 0.00 0.00 0.00 31.44 29.82 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 3.19 -2.38 -4.78 4.31 3.02 -1.26 -4.87 115.26 112.49 2g2k n ASN 104 Ca 0.37 0.67 -0.35 0.00 -0.03 0.00 0.00 54.58 55.24 2g2k n ASN 104 Cb 0.43 2.40 -0.00 0.00 -0.61 0.00 0.00 39.78 42.00 2g2k n ASN 104 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2g2k s PRO 105 N -1.85 3.44 0.06 3.52 0.04 -1.24 -4.96 135.00 134.02 2g2k s PRO 105 Ca 0.00 1.58 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 2g2k s PRO 105 Cb 0.00 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 2g2k s PRO 105 CO 0.00 -0.77 1.41 -2.00 0.04 0.00 0.00 177.00 175.68 2g2k s GLU 106 N -3.24 4.30 0.36 4.56 2.12 -1.26 -4.91 118.70 120.63 2g2k s GLU 106 Ca 0.71 2.04 0.08 0.00 0.36 0.00 0.00 54.97 58.17 2g2k s GLU 106 Cb -0.23 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 2g2k s GLU 106 CO 0.26 -0.51 0.13 0.95 -0.54 0.00 0.00 175.26 175.55 2g2k s THR 107 N 1.77 2.74 0.27 -1.70 -4.23 -1.26 -4.39 115.64 108.83 2g2k s THR 107 Ca 0.65 -1.74 0.10 0.00 -1.18 0.00 0.00 61.69 59.52 2g2k s THR 107 Cb -0.35 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 2g2k s THR 107 CO 0.29 -0.13 -0.02 -0.62 -0.54 0.00 0.00 174.62 173.60 2g2k s ASP 108 N -3.84 4.45 -0.14 3.99 2.15 0.78 -4.89 116.67 119.16 2g2k s ASP 108 Ca 0.38 -0.70 0.02 0.00 0.43 0.00 0.00 52.55 52.68 2g2k s ASP 108 Cb -0.00 -0.78 0.02 0.00 -0.30 0.00 0.00 42.92 41.85 2g2k s ASP 108 CO 0.22 -0.01 -0.19 -0.22 -0.17 0.00 0.00 175.17 174.80 2g2k s LEU 109 N -3.67 1.97 -0.19 -1.34 2.96 -1.26 0.14 118.68 117.29 2g2k s LEU 109 Ca 0.32 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2g2k s LEU 109 Cb -0.06 -1.34 0.04 0.00 0.50 0.00 0.00 46.19 45.33 2g2k s LEU 109 CO 0.20 0.03 -0.11 -1.38 -1.32 0.00 0.00 176.35 173.76 2g2k s HIS 110 N 1.06 2.40 -0.18 5.38 -3.43 0.16 -4.94 115.29 115.75 2g2k s HIS 110 Ca -0.02 -1.56 -0.12 0.00 -0.80 0.00 0.00 55.06 52.55 2g2k s HIS 110 Cb -0.14 -1.64 -0.05 0.00 -1.43 0.00 0.00 32.58 29.32 2g2k s HIS 110 CO -0.06 -0.74 0.23 0.54 -2.00 0.00 0.00 174.74 172.71 2g2k s VAL 111 N 1.40 5.35 -0.19 -5.38 0.11 -1.26 0.61 120.40 121.04 2g2k s VAL 111 Ca -0.01 0.40 -0.18 0.00 -2.93 0.00 0.00 61.98 59.26 2g2k s VAL 111 Cb -0.16 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.09 2g2k s VAL 111 CO -0.08 0.40 0.50 0.20 -3.33 0.00 0.00 175.10 172.79 2g2k s ASN 112 N 0.46 6.56 0.30 3.54 0.01 0.30 -4.91 114.94 121.21 2g2k s ASN 112 Ca 0.13 0.67 0.13 0.00 -0.71 0.00 0.00 52.86 53.09 2g2k s ASN 112 Cb -0.12 -2.28 0.44 0.00 0.41 0.00 0.00 41.25 39.69 2g2k s ASN 112 CO 0.02 -0.14 1.64 1.55 -1.51 0.00 0.00 177.10 178.65 2g2k h PRO 113 N 7.34 0.00 -0.37 -0.60 0.13 -1.96 0.31 132.00 136.85 2g2k h PRO 113 Ca -0.35 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.66 2g2k h PRO 113 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2g2k h PRO 113 CO 0.74 0.55 -0.22 -0.22 -0.23 0.00 0.00 178.00 178.62 2g2k h LYS 114 N 0.00 0.80 -0.02 0.86 3.64 -1.97 -3.11 116.57 116.77 2g2k h LYS 114 Ca -0.01 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2g2k h LYS 114 Cb 1.06 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2g2k h LYS 114 CO 0.07 0.99 -0.24 1.63 -2.27 0.00 0.00 179.45 179.64 2g2k n LYS 115 N -4.25 1.67 -3.66 1.90 4.76 -1.20 -4.95 118.16 112.43 2g2k n LYS 115 Ca -0.02 -1.34 -0.28 0.00 -2.87 0.00 0.00 58.31 53.80 2g2k n LYS 115 Cb 0.44 -1.47 0.01 0.00 -1.84 0.00 0.00 35.03 32.17 2g2k n LYS 115 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2g2k n GLN 116 N 0.51 -4.63 -4.28 1.97 10.64 0.11 -4.96 117.38 116.74 2g2k n GLN 116 Ca 0.12 0.58 -0.21 0.00 -1.83 0.00 0.00 57.00 55.66 2g2k n GLN 116 Cb 0.51 -5.40 -0.11 0.00 -0.86 0.00 0.00 30.24 24.37 2g2k n GLN 116 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2g2k s THR 117 N -3.17 1.57 -0.23 -0.39 -4.23 -1.00 -4.96 115.64 103.24 2g2k s THR 117 Ca 0.55 -1.73 -0.10 0.00 -1.18 0.00 0.00 61.69 59.24 2g2k s THR 117 Cb -0.28 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 2g2k s THR 117 CO 0.68 -0.30 0.13 -0.51 -0.54 0.00 0.00 174.62 174.08 2g2k s ILE 118 N -1.86 5.19 0.32 2.99 1.10 -1.26 -0.54 121.20 127.14 2g2k s ILE 118 Ca 0.10 0.12 0.07 0.00 -0.51 0.00 0.00 60.65 60.43 2g2k s ILE 118 Cb -0.07 -3.40 -0.02 0.00 0.15 0.00 0.00 42.46 39.12 2g2k s ILE 118 CO 0.05 0.38 0.33 -0.83 -2.11 0.00 0.00 174.94 172.75 2g2k s GLY 119 N 0.88 1.65 -0.03 1.50 0.00 0.20 -2.49 107.32 109.04 2g2k s GLY 119 Ca 0.07 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.25 2g2k s GLY 119 CO 0.03 -1.49 -0.05 0.54 0.00 0.00 0.00 173.10 172.13 2g2k s ASN 120 N -4.02 0.87 -0.16 1.64 4.22 -0.93 -0.66 114.94 115.89 2g2k s ASN 120 Ca 0.41 -0.12 0.00 0.00 -2.14 0.00 0.00 52.86 51.01 2g2k s ASN 120 Cb -0.07 -0.32 0.00 0.00 1.28 0.00 0.00 41.25 42.13 2g2k s ASN 120 CO 0.28 -0.01 -0.16 -0.94 -2.04 0.00 0.00 177.10 174.23 2g2k s SER 121 N 0.55 3.58 -0.03 3.54 1.04 0.37 0.16 113.70 122.91 2g2k s SER 121 Ca -0.07 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.87 2g2k s SER 121 Cb -0.11 -1.55 0.01 0.00 0.10 0.00 0.00 66.02 64.47 2g2k s SER 121 CO 0.00 0.07 -0.06 0.00 0.98 0.00 0.00 173.24 174.23 2g2k n LYS 123 N 3.58 0.91 -0.33 0.00 4.81 -1.26 -3.20 118.16 122.67 2g2k n LYS 123 Ca -0.21 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.30 2g2k n LYS 123 Cb 0.53 -1.24 0.23 0.00 0.02 0.00 0.00 35.03 34.58 2g2k n LYS 123 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2g2k h ALA 124 N 3.30 1.41 0.00 3.14 0.00 -1.90 -3.37 119.26 121.83 2g2k h ALA 124 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2g2k h ALA 124 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2g2k h ALA 124 CO 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 179.25 179.31 2g2k n GLY 126 N 0.00 2.51 0.62 0.00 0.00 -1.19 -4.85 105.19 102.27 2g2k n GLY 126 Ca -0.02 0.00 0.47 0.00 0.00 0.00 0.00 46.02 46.47 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 0.07 -0.29 1.61 4.19 -1.26 -4.64 117.16 114.83 2g2k n TYR 127 Ca 0.00 0.07 -0.11 0.00 3.31 0.00 0.00 57.90 61.16 2g2k n TYR 127 Cb 0.00 -0.51 -0.01 0.00 0.49 0.00 0.00 39.34 39.31 2g2k n TYR 127 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 2g2k n ARG 128 N -3.80 0.00 0.00 2.98 0.00 -1.25 -4.55 116.66 110.04 2g2k n ARG 128 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.25 2g2k n ARG 128 Cb 1.78 -0.28 0.00 0.00 0.00 0.00 0.00 32.46 33.95 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 0.30 -1.53 3.41 5.14 0.00 0.41 -4.89 105.19 108.03 2g2k n GLY 129 Ca 0.04 0.57 -0.28 0.00 0.00 0.00 0.00 46.02 46.35 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 1.46 -0.25 1.61 1.75 -1.26 -2.18 119.30 120.42 2g2k s MET 130 Ca 0.00 -1.42 -0.06 0.00 -1.25 0.00 0.00 55.69 52.96 2g2k s MET 130 Cb 0.00 -1.88 -0.01 0.00 2.84 0.00 0.00 34.83 35.78 2g2k s MET 130 CO 0.00 0.43 0.03 -1.17 -0.65 0.00 0.00 175.02 173.66 2g2k s LEU 131 N -2.32 3.39 0.00 4.11 2.96 -1.04 -4.29 118.68 121.49 2g2k s LEU 131 Ca 0.17 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 2g2k s LEU 131 Cb -0.09 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.76 2g2k s LEU 131 CO 0.08 -0.09 0.00 0.47 -1.32 0.00 0.00 176.35 175.49 2g2k n ASP 132 N 4.85 0.00 -3.47 3.68 9.92 -1.26 -4.88 116.55 125.39 2g2k n ASP 132 Ca -0.16 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.74 2g2k n ASP 132 Cb 0.50 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.01 2g2k n ASP 132 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2g2k n THR 133 N 0.00 -3.89 -1.26 -3.53 -1.04 -1.26 -4.91 114.28 98.39 2g2k n THR 133 Ca 0.00 0.14 -0.29 0.00 -2.04 0.00 0.00 64.05 61.86 2g2k n THR 133 Cb 0.00 -3.57 0.20 0.00 -1.82 0.00 0.00 70.33 65.14 2g2k n THR 133 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2g2k s HIS 134 N -1.44 1.45 -1.53 -1.42 3.76 -1.26 -3.85 115.29 110.99 2g2k s HIS 134 Ca 0.35 0.69 -0.02 0.00 -0.15 0.00 0.00 55.06 55.93 2g2k s HIS 134 Cb -0.04 -3.44 0.02 0.00 1.11 0.00 0.00 32.58 30.24 2g2k s HIS 134 CO 0.80 -3.22 0.21 0.72 -0.85 0.00 0.00 174.74 172.39 2g2k n HIS 135 N -4.33 -1.40 -4.24 1.40 8.25 -1.26 -4.92 115.22 108.73 2g2k n HIS 135 Ca 0.09 0.67 -0.16 0.00 -0.26 0.00 0.00 57.72 58.06 2g2k n HIS 135 Cb 0.59 -3.05 -0.06 0.00 1.12 0.00 0.00 29.99 28.59 2g2k n HIS 135 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2g2k n LYS 136 N -4.49 0.35 0.11 -0.41 4.76 -1.25 -4.99 118.16 112.24 2g2k n LYS 136 Ca -0.28 -2.62 0.06 0.00 -2.87 0.00 0.00 58.31 52.60 2g2k n LYS 136 Cb 0.67 2.07 0.32 0.00 -1.84 0.00 0.00 35.03 36.25 2g2k n LYS 136 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2g2k n LEU 137 N 0.00 0.30 -0.31 -0.35 -0.00 -1.26 -1.76 117.00 113.62 2g2k n LEU 137 Ca 0.05 0.58 0.07 0.00 -0.00 0.00 0.00 56.01 56.71 2g2k n LEU 137 Cb 0.47 -0.59 0.28 0.00 -0.00 0.00 0.00 43.42 43.57 2g2k n LEU 137 CO 0.25 -0.69 1.24 0.00 -0.00 0.00 0.00 177.39 178.19 2g2k h THR 139 N 0.93 1.28 -0.23 0.00 2.02 -1.69 0.91 112.91 116.12 2g2k h THR 139 Ca 0.43 -1.42 0.02 0.00 0.77 0.00 0.00 66.41 66.21 2g2k h THR 139 Cb 0.41 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 2g2k h THR 139 CO -0.19 0.47 0.09 -0.26 0.37 0.00 0.00 175.52 176.00 2g2k h PHE 140 N 0.67 0.17 -0.38 3.16 -1.00 -1.40 -2.37 116.94 115.79 2g2k h PHE 140 Ca 0.08 0.01 -0.12 0.00 2.81 0.00 0.00 57.97 60.75 2g2k h PHE 140 Cb 0.84 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.35 2g2k h PHE 140 CO 0.06 0.09 -0.21 -0.84 -1.61 0.00 0.00 178.31 175.79 2g2k h ILE 141 N 0.21 1.28 0.00 -0.55 3.07 -1.28 -2.60 117.51 117.65 2g2k h ILE 141 Ca 0.10 -1.36 0.00 0.00 1.55 0.00 0.00 64.86 65.15 2g2k h ILE 141 Cb 0.05 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 2g2k h ILE 141 CO -0.09 0.45 0.35 0.25 -1.05 0.00 0.00 178.15 178.06 2g2k h LEU 142 N 0.61 0.00 0.00 0.16 5.85 -0.37 0.68 115.31 122.24 2g2k h LEU 142 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2g2k h LEU 142 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2g2k h LEU 142 CO 0.06 0.00 -0.82 0.29 -0.34 0.00 0.00 178.44 177.63 2g2k n LYS 143 N -2.86 0.15 -3.82 1.25 5.02 -0.93 -4.72 118.16 112.24 2g2k n LYS 143 Ca -0.02 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.92 2g2k n LYS 143 Cb 0.39 -1.56 -0.12 0.00 -0.02 0.00 0.00 35.03 33.72 2g2k n LYS 143 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2g2k s ASN 144 N -3.50 5.14 -0.39 4.39 0.01 0.24 -5.05 114.94 115.78 2g2k s ASN 144 Ca 0.07 -1.81 -0.29 0.00 -0.71 0.00 0.00 52.86 50.12 2g2k s ASN 144 Cb 0.16 -1.79 0.00 0.00 0.41 0.00 0.00 41.25 40.03 2g2k s ASN 144 CO 0.77 -0.45 1.48 -2.16 -1.51 0.00 0.00 177.10 175.23 2g2k s PRO 145 N 1.17 3.56 0.00 -0.60 0.04 -1.26 -4.91 135.00 133.00 2g2k s PRO 145 Ca 0.05 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2g2k s PRO 145 Cb -0.22 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2g2k s PRO 145 CO -0.03 -1.58 0.00 -0.35 0.04 0.00 0.00 177.00 175.07 2g2k n PRO 146 N 8.09 -0.55 -3.23 0.56 -0.04 -1.26 -4.98 135.00 133.59 2g2k n PRO 146 Ca 0.18 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.22 2g2k n PRO 146 Cb 0.48 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.86 2g2k n PRO 146 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2g2k s GLU 147 N -2.92 3.49 0.00 0.54 2.56 -1.26 -5.04 118.70 116.07 2g2k s GLU 147 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.97 54.69 2g2k s GLU 147 Cb 0.00 -3.85 0.00 0.00 2.00 0.00 0.00 34.13 32.28 2g2k s GLU 147 CO 0.00 -0.74 0.00 0.09 -0.56 0.00 0.00 175.26 174.05 2g2k n ASN 148 N 5.82 1.18 -1.66 -1.70 5.03 -1.26 -4.07 115.26 118.59 2g2k n ASN 148 Ca -0.05 -0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.22 2g2k n ASN 148 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.24 2g2k n ASN 148 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2g2k n SER 149 N -0.34 -7.65 -2.23 6.41 2.88 -1.26 -4.84 113.62 106.59 2g2k n SER 149 Ca 0.00 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 2g2k n SER 149 Cb 0.00 -4.09 0.00 0.00 -0.75 0.00 0.00 64.21 59.37 2g2k n SER 149 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2g2k n ASP 150 N 1.13 -9.39 -3.79 -3.46 8.00 -1.26 -4.51 116.55 103.27 2g2k n ASP 150 Ca 0.00 1.64 -0.35 0.00 0.71 0.00 0.00 54.79 56.79 2g2k n ASP 150 Cb 0.00 -5.21 0.03 0.00 -0.02 0.00 0.00 41.12 35.92 2g2k n ASP 150 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2g2k n SER 151 N 1.90 -5.03 -4.55 -2.24 3.41 -1.26 -4.65 113.62 101.20 2g2k n SER 151 Ca 0.00 -1.06 -0.21 0.00 -0.26 0.00 0.00 58.87 57.34 2g2k n SER 151 Cb 0.00 -2.74 -0.08 0.00 -0.26 0.00 0.00 64.21 61.13 2g2k n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g2k n GLY 152 N -1.82 -0.12 3.26 5.00 0.00 -1.26 -3.80 105.19 106.46 2g2k n GLY 152 Ca -0.12 0.40 -0.18 0.00 0.00 0.00 0.00 46.02 46.12 2g2k n GLY 152 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2g2k n THR 153 N 8.24 -4.44 0.00 2.61 -2.24 -1.26 -4.93 114.28 112.26 2g2k n THR 153 Ca 0.47 0.46 0.00 0.00 -2.27 0.00 0.00 64.05 62.72 2g2k n THR 153 Cb 0.41 -3.93 0.00 0.00 -2.10 0.00 0.00 70.33 64.72 2g2k n THR 153 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g2k n GLY 154 N 0.46 -0.08 2.40 3.38 0.00 -1.25 -5.05 105.19 105.06 2g2k n GLY 154 Ca -0.03 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 2g2k n GLY 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g2k n LYS 155 N 0.00 0.89 -0.40 1.61 4.76 -1.26 -5.02 118.16 118.74 2g2k n LYS 155 Ca 0.00 -2.76 0.00 0.00 -2.87 0.00 0.00 58.31 52.68 2g2k n LYS 155 Cb 0.00 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 2g2k n LYS 155 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20