#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g2k s SER 2 N 0.00 7.30 0.05 1.45 0.01 -1.26 -5.07 113.70 116.19 2g2k s SER 2 Ca 0.00 1.61 -0.00 0.00 1.31 0.00 0.00 55.95 58.87 2g2k s SER 2 Cb 0.00 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 2g2k s SER 2 CO 0.00 0.14 -0.04 -0.69 0.41 0.00 0.00 173.24 173.06 2g2k s VAL 3 N -1.29 0.31 0.65 3.43 1.01 -1.26 -5.16 120.40 118.09 2g2k s VAL 3 Ca 0.39 -1.66 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 2g2k s VAL 3 Cb -0.21 -1.32 0.08 0.00 0.00 0.00 0.00 36.38 34.93 2g2k s VAL 3 CO 0.25 -0.87 0.92 0.54 0.00 0.00 0.00 175.10 175.93 2g2k s ASN 4 N -2.66 4.80 0.28 3.32 4.22 -1.26 -4.96 114.94 118.68 2g2k s ASN 4 Ca 0.04 -0.01 0.24 0.00 -2.14 0.00 0.00 52.86 50.99 2g2k s ASN 4 Cb 0.04 -0.63 1.02 0.00 1.28 0.00 0.00 41.25 42.96 2g2k s ASN 4 CO -0.07 -1.53 1.73 1.62 -2.04 0.00 0.00 177.10 176.81 2g2k h VAL 5 N -0.33 0.00 -5.73 3.54 3.04 -2.01 -3.47 116.25 111.29 2g2k h VAL 5 Ca -0.41 -0.24 -0.13 0.00 -1.01 0.00 0.00 66.70 64.91 2g2k h VAL 5 Cb 1.29 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 2g2k h VAL 5 CO 0.50 0.00 -0.36 0.59 -1.01 0.00 0.00 177.57 177.28 2g2k n ASN 6 N -2.30 -7.05 0.12 3.17 5.03 -1.26 -4.82 115.26 108.16 2g2k n ASN 6 Ca 0.02 -0.21 0.11 0.00 0.87 0.00 0.00 54.58 55.36 2g2k n ASN 6 Cb 0.23 -4.33 0.48 0.00 -1.02 0.00 0.00 39.78 35.13 2g2k n ASN 6 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 2g2k n ARG 7 N -1.73 0.15 0.00 3.52 1.85 -1.26 -1.46 116.66 117.74 2g2k n ARG 7 Ca -0.06 0.48 0.14 0.00 -1.00 0.00 0.00 57.85 57.40 2g2k n ARG 7 Cb 0.55 -1.85 0.55 0.00 -1.05 0.00 0.00 32.46 30.66 2g2k n ARG 7 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2g2k n SER 8 N -2.14 0.94 -4.07 2.89 7.64 -1.26 -4.84 113.62 112.78 2g2k n SER 8 Ca 0.01 -1.03 -0.18 0.00 1.01 0.00 0.00 58.87 58.68 2g2k n SER 8 Cb 0.15 0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.23 2g2k n SER 8 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2g2k s VAL 9 N -2.27 0.81 0.48 0.44 1.01 -0.53 -5.12 120.40 115.22 2g2k s VAL 9 Ca 0.33 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 2g2k s VAL 9 Cb 0.20 -0.73 -0.12 0.00 0.00 0.00 0.00 36.38 35.74 2g2k s VAL 9 CO 0.43 0.03 0.46 1.15 0.00 0.00 0.00 175.10 177.17 2g2k n MET 10 N 2.30 0.49 -3.34 2.72 0.00 -1.26 -4.88 117.12 113.15 2g2k n MET 10 Ca -0.17 0.18 -0.39 0.00 0.00 0.00 0.00 57.70 57.33 2g2k n MET 10 Cb 0.56 -1.52 -0.08 0.00 0.00 0.00 0.00 33.22 32.18 2g2k n MET 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2g2k s ASP 11 N -1.03 6.35 0.62 3.17 2.15 -1.26 -4.93 116.67 121.74 2g2k s ASP 11 Ca 0.64 0.41 0.34 0.00 0.43 0.00 0.00 52.55 54.38 2g2k s ASP 11 Cb -0.54 -2.24 1.97 0.00 -0.30 0.00 0.00 42.92 41.81 2g2k s ASP 11 CO 0.58 -0.19 2.22 0.06 -0.17 0.00 0.00 175.17 177.67 2g2k h GLN 12 N 7.96 0.00 0.00 4.34 3.07 -1.87 -3.40 115.11 125.22 2g2k h GLN 12 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.42 2g2k h GLN 12 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.72 2g2k h GLN 12 CO 0.68 0.00 0.00 0.34 0.09 0.00 0.00 178.83 179.94 2g2k n PHE 13 N -3.49 0.00 0.00 0.06 -0.00 -1.26 -3.03 117.46 109.75 2g2k n PHE 13 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2g2k n PHE 13 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.65 2g2k n PHE 13 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.76 179.24 2g2k n TYR 14 N 0.00 0.00 0.17 -5.13 0.18 -1.26 -5.05 117.16 106.07 2g2k n TYR 14 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2g2k n TYR 14 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 2g2k n TYR 14 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 2g2k n ARG 15 N -0.86 0.00 -3.97 -3.48 0.63 -1.17 -5.12 116.66 102.68 2g2k n ARG 15 Ca 0.00 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.76 2g2k n ARG 15 Cb 0.00 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 32.75 2g2k n ARG 15 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 2g2k s TYR 16 N -2.00 0.39 -0.05 -0.14 1.13 -1.24 -4.80 117.35 110.64 2g2k s TYR 16 Ca 0.00 -0.04 0.01 0.00 -1.41 0.00 0.00 57.07 55.64 2g2k s TYR 16 Cb 0.00 -0.45 0.02 0.00 -1.10 0.00 0.00 41.96 40.43 2g2k s TYR 16 CO 0.00 -0.14 -0.06 0.21 -2.51 0.00 0.00 175.55 173.05 2g2k s LYS 17 N 0.99 0.95 -0.18 -3.49 2.36 -1.25 -4.86 119.74 114.26 2g2k s LYS 17 Ca -0.10 -0.16 -0.05 0.00 -2.55 0.00 0.00 55.97 53.11 2g2k s LYS 17 Cb -0.14 -0.91 -0.03 0.00 -1.05 0.00 0.00 37.83 35.71 2g2k s LYS 17 CO -0.01 -0.05 -0.01 -1.64 1.55 0.00 0.00 175.35 175.19 2g2k s MET 18 N 0.82 3.66 0.00 4.03 -1.94 -1.26 -4.77 119.30 119.85 2g2k s MET 18 Ca -0.12 -0.51 0.00 0.00 -1.71 0.00 0.00 55.69 53.35 2g2k s MET 18 Cb -0.14 -3.04 0.00 0.00 2.01 0.00 0.00 34.83 33.66 2g2k s MET 18 CO 0.01 0.10 0.00 -0.35 -0.01 0.00 0.00 175.02 174.77 2g2k n PRO 19 N 3.97 0.00 0.00 2.03 -0.04 -1.26 -4.90 135.00 134.80 2g2k n PRO 19 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2g2k n PRO 19 Cb 0.52 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.00 -2.99 0.54 3.00 -1.26 -4.29 116.66 111.66 2g2k n ARG 20 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 2g2k n ARG 20 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 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 4.50 -0.22 6.15 1.98 -1.26 -5.05 118.68 124.78 2g2k s LEU 21 Ca 0.00 1.51 -0.05 0.00 -2.89 0.00 0.00 54.13 52.70 2g2k s LEU 21 Cb 0.00 -3.24 -0.02 0.00 0.66 0.00 0.00 46.19 43.59 2g2k s LEU 21 CO 0.00 0.09 -0.01 0.27 -1.89 0.00 0.00 176.35 174.81 2g2k s ILE 22 N -0.46 3.69 -0.05 6.68 -4.36 -1.26 -4.54 121.20 120.90 2g2k s ILE 22 Ca 0.37 -0.39 0.07 0.00 -0.26 0.00 0.00 60.65 60.44 2g2k s ILE 22 Cb -0.21 -2.69 -0.01 0.00 1.25 0.00 0.00 42.46 40.79 2g2k s ILE 22 CO 0.24 0.40 -0.25 0.00 0.24 0.00 0.00 174.94 175.57 2g2k s ALA 23 N 1.42 2.15 -0.04 2.27 0.00 -1.26 -4.59 121.76 121.70 2g2k s ALA 23 Ca 0.05 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 51.01 2g2k s ALA 23 Cb -0.15 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 2g2k s ALA 23 CO -0.01 0.45 -0.23 0.15 0.00 0.00 0.00 175.76 176.13 2g2k s LYS 24 N -0.30 2.41 -0.15 0.00 -0.14 -1.12 -4.58 119.74 115.86 2g2k s LYS 24 Ca 0.01 -0.86 -0.17 0.00 -1.36 0.00 0.00 55.97 53.59 2g2k s LYS 24 Cb -0.13 -2.18 -0.04 0.00 -1.68 0.00 0.00 37.83 33.80 2g2k s LYS 24 CO 0.02 0.50 0.42 0.14 -0.76 0.00 0.00 175.35 175.67 2g2k s VAL 25 N -0.44 5.21 0.17 3.17 -7.23 -1.26 -0.49 120.40 119.54 2g2k s VAL 25 Ca 0.05 0.81 -0.02 0.00 -1.81 0.00 0.00 61.98 61.01 2g2k s VAL 25 Cb -0.12 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 2g2k s VAL 25 CO 0.01 0.31 0.13 -0.70 -0.31 0.00 0.00 175.10 174.54 2g2k s GLU 26 N 0.84 1.10 0.00 4.82 2.12 0.24 -4.52 118.70 123.30 2g2k s GLU 26 Ca 0.22 -1.50 0.00 0.00 0.36 0.00 0.00 54.97 54.06 2g2k s GLU 26 Cb -0.15 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.52 2g2k s GLU 26 CO 0.08 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 2g2k n GLY 27 N -0.20 1.95 4.02 -1.50 0.00 -1.26 -0.34 105.19 107.85 2g2k n GLY 27 Ca -0.02 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 2.51 0.35 1.61 -0.14 -1.26 -4.77 119.74 118.04 2g2k s LYS 28 Ca 0.00 -1.50 0.20 0.00 -1.36 0.00 0.00 55.97 53.31 2g2k s LYS 28 Cb 0.00 -2.67 1.26 0.00 -1.68 0.00 0.00 37.83 34.74 2g2k s LYS 28 CO 0.00 -0.62 1.47 0.41 -0.76 0.00 0.00 175.35 175.85 2g2k n GLY 29 N -2.07 -0.70 0.06 -3.33 0.00 -1.26 0.25 105.19 98.13 2g2k n GLY 29 Ca 0.12 0.75 0.11 0.00 0.00 0.00 0.00 46.02 47.00 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 -5.07 0.48 -1.96 1.61 3.02 -1.26 -5.05 115.26 107.03 2g2k n ASN 30 Ca 0.35 0.07 -0.02 0.00 -0.03 0.00 0.00 54.58 54.94 2g2k n ASN 30 Cb 1.21 1.12 -0.02 0.00 -0.61 0.00 0.00 39.78 41.48 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 1.26 -3.94 0.79 7.41 0.00 0.68 -4.65 105.19 106.74 2g2k n GLY 31 Ca -0.01 0.55 0.08 0.00 0.00 0.00 0.00 46.02 46.64 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 0.71 0.37 -3.77 -0.61 2.08 -1.10 -3.74 119.36 113.31 2g2k n ILE 32 Ca -0.18 -0.69 -0.29 0.00 0.56 0.00 0.00 62.75 62.16 2g2k n ILE 32 Cb 0.28 1.04 -0.04 0.00 -0.75 0.00 0.00 39.64 40.17 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 -1.26 3.51 -0.33 0.38 2.20 0.53 0.46 119.74 125.23 2g2k s LYS 33 Ca 0.26 -0.35 -0.13 0.00 -0.36 0.00 0.00 55.97 55.39 2g2k s LYS 33 Cb 0.16 -2.89 -0.02 0.00 -1.51 0.00 0.00 37.83 33.56 2g2k s LYS 33 CO 0.22 0.47 0.27 0.99 -0.36 0.00 0.00 175.35 176.94 2g2k s THR 34 N -1.75 5.26 -0.24 3.43 2.01 0.53 -0.59 115.64 124.28 2g2k s THR 34 Ca 0.38 -0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 2g2k s THR 34 Cb -0.12 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.68 2g2k s THR 34 CO 0.28 -0.00 -0.03 0.54 -0.69 0.00 0.00 174.62 174.72 2g2k s VAL 35 N 1.80 3.31 -0.43 3.82 0.11 0.36 0.18 120.40 129.56 2g2k s VAL 35 Ca 0.08 -0.71 -0.18 0.00 -2.93 0.00 0.00 61.98 58.24 2g2k s VAL 35 Cb -0.17 -2.60 0.02 0.00 -1.53 0.00 0.00 36.38 32.10 2g2k s VAL 35 CO 0.11 0.28 0.48 -0.63 -3.33 0.00 0.00 175.10 172.01 2g2k s ILE 36 N 1.43 5.04 -0.64 7.04 1.01 -1.19 -2.78 121.20 131.11 2g2k s ILE 36 Ca 0.03 -0.29 0.25 0.00 0.00 0.00 0.00 60.65 60.64 2g2k s ILE 36 Cb -0.16 -4.08 0.25 0.00 0.01 0.00 0.00 42.46 38.49 2g2k s ILE 36 CO -0.03 -0.47 1.64 1.62 0.00 0.00 0.00 174.94 177.71 2g2k h VAL 37 N 5.76 0.00 -0.19 2.92 3.04 -1.87 -3.17 116.25 122.74 2g2k h VAL 37 Ca -0.26 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 2g2k h VAL 37 Cb 1.11 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.92 2g2k h VAL 37 CO 0.82 0.00 0.00 -0.46 -1.01 0.00 0.00 177.57 176.92 2g2k n ASN 38 N -2.44 2.90 -0.10 3.17 6.94 -1.26 -4.33 115.26 120.15 2g2k n ASN 38 Ca 0.05 -1.92 0.13 0.00 -0.02 0.00 0.00 54.58 52.82 2g2k n ASN 38 Cb 0.46 -0.12 0.51 0.00 -2.36 0.00 0.00 39.78 38.27 2g2k n ASN 38 CO 0.00 0.00 0.00 -0.03 -1.03 0.00 0.00 177.26 176.20 2g2k h MET 39 N 4.11 0.38 -0.26 -3.83 4.05 -1.93 -0.84 114.93 116.62 2g2k h MET 39 Ca 0.00 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.32 2g2k h MET 39 Cb 0.89 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.60 2g2k h MET 39 CO 0.00 0.25 -0.14 0.28 0.23 0.00 0.00 176.91 177.54 2g2k h VAL 40 N 0.40 1.30 -0.10 -5.77 2.07 -1.84 -1.06 116.25 111.24 2g2k h VAL 40 Ca 0.30 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2g2k h VAL 40 Cb 0.63 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2g2k h VAL 40 CO -0.08 0.39 0.00 -0.78 0.02 0.00 0.00 177.57 177.11 2g2k h ASP 41 N 0.28 0.18 -0.81 0.57 3.58 -1.59 -2.30 116.42 116.33 2g2k h ASP 41 Ca 0.06 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 2g2k h ASP 41 Cb 0.65 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 2g2k h ASP 41 CO 0.04 0.44 0.47 1.62 -2.88 0.00 0.00 179.24 178.93 2g2k h VAL 42 N -0.09 1.23 -0.48 2.25 3.04 -1.22 -2.09 116.25 118.89 2g2k h VAL 42 Ca 0.03 -0.53 -0.01 0.00 -1.01 0.00 0.00 66.70 65.17 2g2k h VAL 42 Cb 0.35 0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 29.73 2g2k h VAL 42 CO 0.01 0.25 0.24 0.00 -1.01 0.00 0.00 177.57 177.05 2g2k h ALA 43 N 1.25 1.52 -0.74 3.17 0.00 -1.10 -1.86 119.26 121.50 2g2k h ALA 43 Ca 0.29 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2g2k h ALA 43 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2g2k h ALA 43 CO -0.05 0.39 0.49 0.87 0.00 0.00 0.00 179.25 180.95 2g2k h LYS 44 N 0.67 0.93 0.00 0.00 1.79 -0.79 0.51 116.57 119.68 2g2k h LYS 44 Ca 0.17 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2g2k h LYS 44 Cb 0.06 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 2g2k h LYS 44 CO -0.02 0.62 0.00 0.00 -1.08 0.00 0.00 179.45 178.96 2g2k h ALA 45 N 1.55 1.00 -0.00 3.86 0.00 -1.25 -2.29 119.26 122.13 2g2k h ALA 45 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2g2k h ALA 45 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2g2k h ALA 45 CO -0.07 0.00 -0.74 1.28 0.00 0.00 0.00 179.25 179.72 2g2k n LEU 46 N -3.05 0.97 0.00 0.00 4.77 0.01 -4.95 117.00 114.75 2g2k n LEU 46 Ca 0.01 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2g2k n LEU 46 Cb 0.30 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2g2k n LEU 46 CO 0.27 0.22 0.00 -3.20 -1.33 0.00 0.00 177.39 173.35 2g2k n ASN 47 N -1.27 0.00 -4.83 -1.43 2.85 -0.29 -4.90 115.26 105.39 2g2k n ASN 47 Ca 0.06 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.23 2g2k n ASN 47 Cb 0.35 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.47 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 1.82 0.30 1.20 0.52 -1.26 -4.88 118.95 116.65 2g2k s ARG 48 Ca 0.00 0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 55.27 2g2k s ARG 48 Cb 0.00 -1.91 -0.10 0.00 0.52 0.00 0.00 34.95 33.46 2g2k s ARG 48 CO 0.00 -1.74 1.14 -1.25 0.02 0.00 0.00 175.30 173.47 2g2k s PRO 49 N -5.34 4.53 0.29 3.54 0.04 -1.26 -4.67 135.00 132.13 2g2k s PRO 49 Ca 0.62 1.88 0.26 0.00 0.04 0.00 0.00 61.00 63.79 2g2k s PRO 49 Cb -0.13 -3.11 0.94 0.00 0.04 0.00 0.00 34.50 32.24 2g2k s PRO 49 CO 0.52 0.09 1.76 -1.00 0.04 0.00 0.00 177.00 178.41 2g2k h PRO 50 N 3.61 0.00 0.00 0.56 0.13 -1.88 -3.08 132.00 131.34 2g2k h PRO 50 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2g2k h PRO 50 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2g2k h PRO 50 CO 0.66 0.00 -0.14 1.79 -0.23 0.00 0.00 178.00 180.08 2g2k h THR 51 N 0.00 0.81 0.10 1.56 1.35 -1.97 0.40 112.91 115.17 2g2k h THR 51 Ca 0.00 -0.55 -0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2g2k h THR 51 Cb 0.53 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2g2k h THR 51 CO 0.00 0.14 -0.05 0.22 -0.25 0.00 0.00 175.52 175.58 2g2k h TYR 52 N 0.00 -0.13 -0.21 4.73 3.20 -1.94 -3.25 116.97 119.37 2g2k h TYR 52 Ca -0.00 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 2g2k h TYR 52 Cb 0.31 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2g2k h TYR 52 CO 0.00 0.33 -0.38 -1.00 -1.64 0.00 0.00 178.16 175.47 2g2k h PRO 53 N -0.93 0.63 0.00 1.82 0.13 -1.70 -2.93 132.00 129.02 2g2k h PRO 53 Ca -0.01 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2g2k h PRO 53 Cb 0.51 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2g2k h PRO 53 CO 0.02 1.01 0.14 0.00 -0.23 0.00 0.00 178.00 178.95 2g2k h THR 54 N 0.32 0.00 -0.11 1.56 1.03 -0.35 -1.53 112.91 113.85 2g2k h THR 54 Ca 0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.32 2g2k h THR 54 Cb 0.98 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 68.53 2g2k h THR 54 CO 0.09 0.00 -0.30 0.11 -0.01 0.00 0.00 175.52 175.40 2g2k h LYS 55 N 0.00 0.40 -0.64 0.00 1.79 -1.55 -3.17 116.57 113.41 2g2k h LYS 55 Ca 0.00 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 2g2k h LYS 55 Cb 0.29 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 2g2k h LYS 55 CO 0.00 0.90 0.37 -0.92 -1.08 0.00 0.00 179.45 178.72 2g2k h TYR 56 N -0.04 0.84 -0.82 -1.35 5.03 -1.42 -2.22 116.97 116.99 2g2k h TYR 56 Ca -0.01 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.35 2g2k h TYR 56 Cb 0.92 -0.27 -0.06 0.00 1.55 0.00 0.00 36.73 38.87 2g2k h TYR 56 CO 0.11 0.57 0.51 0.74 -1.32 0.00 0.00 178.16 178.77 2g2k h PHE 57 N 0.88 0.95 -0.58 -3.82 0.04 -1.54 -0.93 116.94 111.94 2g2k h PHE 57 Ca 0.23 0.03 0.02 0.00 2.80 0.00 0.00 57.97 61.05 2g2k h PHE 57 Cb -0.01 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.80 2g2k h PHE 57 CO 0.00 0.50 0.38 0.78 -0.60 0.00 0.00 178.31 179.38 2g2k h GLY 58 N 0.95 0.79 1.09 -1.45 0.00 -1.37 -1.30 103.07 101.78 2g2k h GLY 58 Ca 0.35 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.44 2g2k h GLY 58 CO -0.15 0.26 0.50 0.00 0.00 0.00 0.00 176.54 177.15 2g2k h GLU 60 N 0.90 0.01 -0.62 0.00 5.08 -1.15 -2.80 114.58 115.99 2g2k h GLU 60 Ca 0.31 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2g2k h GLU 60 Cb 0.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2g2k h GLU 60 CO -0.10 0.39 0.00 1.47 -1.00 0.00 0.00 179.01 179.78 2g2k n LEU 61 N -4.08 4.29 0.00 1.33 -0.00 -0.55 -4.91 117.00 113.08 2g2k n LEU 61 Ca -0.02 -2.31 0.00 0.00 -0.00 0.00 0.00 56.01 53.69 2g2k n LEU 61 Cb 0.42 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 2g2k n LEU 61 CO 0.39 0.85 0.00 0.61 -0.00 0.00 0.00 177.39 179.24 2g2k n GLY 62 N 1.11 0.27 3.68 1.47 0.00 -0.43 -4.95 105.19 106.33 2g2k n GLY 62 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.71 3.32 0.00 4.61 0.00 -0.07 -4.96 121.76 122.96 2g2k s ALA 63 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.10 2g2k s ALA 63 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2g2k s ALA 63 CO 0.00 0.08 0.00 0.94 0.00 0.00 0.00 175.76 176.78 2g2k n GLN 64 N -1.03 0.00 -4.04 0.00 7.27 -1.26 -2.98 117.38 115.34 2g2k n GLN 64 Ca -0.04 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.93 2g2k n GLN 64 Cb 0.61 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.20 2g2k n GLN 64 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2g2k s THR 65 N 3.12 0.00 -0.00 1.69 -4.23 -1.26 -3.66 115.64 111.30 2g2k s THR 65 Ca 0.00 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 2g2k s THR 65 Cb 0.00 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2g2k s THR 65 CO 0.00 0.00 -0.00 -1.58 -0.54 0.00 0.00 174.62 172.50 2g2k s GLN 66 N -3.98 0.02 0.02 3.99 0.74 0.62 -4.73 119.66 116.33 2g2k s GLN 66 Ca 0.26 -0.01 0.06 0.00 0.05 0.00 0.00 55.36 55.72 2g2k s GLN 66 Cb 0.01 -0.02 -0.02 0.00 1.10 0.00 0.00 33.01 34.08 2g2k s GLN 66 CO 0.10 0.00 -0.18 -0.06 -0.55 0.00 0.00 175.29 174.60 2g2k s PHE 67 N 0.00 1.61 -0.19 1.67 0.08 -1.26 -1.12 117.98 118.77 2g2k s PHE 67 Ca 0.00 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.73 2g2k s PHE 67 Cb -0.00 -0.99 0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2g2k s PHE 67 CO -0.00 0.03 -0.15 0.34 -0.10 0.00 0.00 175.22 175.33 2g2k s ASP 68 N -0.82 3.33 -0.16 1.36 -1.08 -0.53 -4.99 116.67 113.78 2g2k s ASP 68 Ca 0.06 -0.80 -0.15 0.00 -0.52 0.00 0.00 52.55 51.15 2g2k s ASP 68 Cb -0.08 -1.39 -0.23 0.00 -1.46 0.00 0.00 42.92 39.77 2g2k s ASP 68 CO 0.01 -0.07 0.30 -0.37 0.52 0.00 0.00 175.17 175.55 2g2k h VAL 69 N 6.20 0.78 0.00 1.11 -1.51 -1.95 0.89 116.25 121.77 2g2k h VAL 69 Ca -0.36 -2.26 0.00 0.00 -1.23 0.00 0.00 66.70 62.84 2g2k h VAL 69 Cb 1.11 2.37 0.00 0.00 -2.13 0.00 0.00 31.29 32.65 2g2k h VAL 69 CO 0.56 0.60 0.00 1.17 -1.23 0.00 0.00 177.57 178.67 2g2k n LYS 70 N -3.97 0.16 -0.00 5.19 4.81 -1.26 -2.93 118.16 120.16 2g2k n LYS 70 Ca -0.32 0.16 -0.00 0.00 -0.87 0.00 0.00 58.31 57.28 2g2k n LYS 70 Cb 0.86 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.41 2g2k n LYS 70 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2g2k n ASN 71 N -1.35 4.76 -0.55 3.14 4.05 -1.24 -5.00 115.26 119.06 2g2k n ASN 71 Ca 0.07 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 55.02 2g2k n ASN 71 Cb 0.15 0.67 -0.03 0.00 1.23 0.00 0.00 39.78 41.80 2g2k n ASN 71 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2g2k n ASP 72 N -1.90 -4.31 -4.38 1.20 8.00 0.31 -4.98 116.55 110.48 2g2k n ASP 72 Ca -0.01 0.18 -0.33 0.00 0.71 0.00 0.00 54.79 55.34 2g2k n ASP 72 Cb 0.39 -2.44 -0.14 0.00 -0.02 0.00 0.00 41.12 38.90 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 -2.30 3.42 -0.14 -1.24 1.81 -1.11 -4.92 118.95 114.47 2g2k s ARG 73 Ca 0.00 -0.67 -0.01 0.00 -1.72 0.00 0.00 55.73 53.33 2g2k s ARG 73 Cb 0.00 -2.67 -0.02 0.00 -0.45 0.00 0.00 34.95 31.81 2g2k s ARG 73 CO 0.00 0.21 -0.11 0.71 -0.68 0.00 0.00 175.30 175.43 2g2k s TYR 74 N 0.37 2.86 0.11 -0.53 2.02 -1.26 -1.45 117.35 119.47 2g2k s TYR 74 Ca -0.10 -0.60 0.09 0.00 -0.37 0.00 0.00 57.07 56.10 2g2k s TYR 74 Cb -0.16 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 2g2k s TYR 74 CO 0.05 -0.20 -0.23 0.42 -1.57 0.00 0.00 175.55 174.02 2g2k s ILE 75 N 0.41 1.91 -0.06 2.71 1.01 -0.28 -3.19 121.20 123.72 2g2k s ILE 75 Ca -0.09 -1.61 0.02 0.00 0.00 0.00 0.00 60.65 58.98 2g2k s ILE 75 Cb -0.15 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2g2k s ILE 75 CO 0.05 0.00 -0.12 -0.69 0.00 0.00 0.00 174.94 174.18 2g2k s VAL 76 N -1.11 3.29 0.38 2.92 1.01 0.48 0.23 120.40 127.59 2g2k s VAL 76 Ca 0.09 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 2g2k s VAL 76 Cb -0.10 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.87 2g2k s VAL 76 CO 0.05 0.59 1.32 0.20 0.00 0.00 0.00 175.10 177.26 2g2k s ASN 77 N -0.67 6.45 0.00 3.32 0.01 -1.24 -0.35 114.94 122.46 2g2k s ASN 77 Ca 0.10 2.70 0.00 0.00 -0.71 0.00 0.00 52.86 54.95 2g2k s ASN 77 Cb -0.11 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.90 2g2k s ASN 77 CO 0.01 -0.76 0.00 0.61 -1.51 0.00 0.00 177.10 175.45 2g2k n GLY 78 N 0.69 2.47 3.72 0.66 0.00 -1.25 -4.43 105.19 107.05 2g2k n GLY 78 Ca 0.02 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 7.39 -0.05 1.61 1.04 0.17 -1.13 113.70 122.74 2g2k s SER 79 Ca 0.00 1.68 -0.02 0.00 0.48 0.00 0.00 55.95 58.09 2g2k s SER 79 Cb 0.00 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.59 2g2k s SER 79 CO 0.00 -0.19 0.09 -1.00 0.98 0.00 0.00 173.24 173.13 2g2k s HIS 80 N 0.67 -0.06 0.08 5.02 3.76 -1.26 -4.93 115.29 118.57 2g2k s HIS 80 Ca 0.50 0.35 0.01 0.00 -0.15 0.00 0.00 55.06 55.77 2g2k s HIS 80 Cb -0.22 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.20 2g2k s HIS 80 CO 0.28 -0.17 0.20 -2.00 -0.85 0.00 0.00 174.74 172.21 2g2k s GLU 81 N 1.53 3.35 0.25 1.40 2.56 -1.26 -4.58 118.70 121.95 2g2k s GLU 81 Ca -0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 54.97 54.38 2g2k s GLU 81 Cb -0.12 -2.97 0.47 0.00 2.00 0.00 0.00 34.13 33.50 2g2k s GLU 81 CO -0.04 0.58 1.75 0.00 -0.56 0.00 0.00 175.26 176.99 2g2k h ALA 82 N 2.91 1.13 -0.86 6.30 0.00 -1.81 0.12 119.26 127.06 2g2k h ALA 82 Ca -0.46 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.59 2g2k h ALA 82 Cb 1.17 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2g2k h ALA 82 CO 0.73 -0.15 0.56 -0.97 0.00 0.00 0.00 179.25 179.42 2g2k h ASN 83 N 0.52 0.91 -0.38 0.00 -1.24 -1.94 -1.76 115.58 111.69 2g2k h ASN 83 Ca 0.42 -0.01 -0.15 0.00 0.71 0.00 0.00 56.30 57.28 2g2k h ASN 83 Cb 0.61 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 2g2k h ASN 83 CO -0.37 0.62 -0.34 0.11 -1.29 0.00 0.00 177.43 176.15 2g2k h LYS 84 N 1.05 0.92 -0.91 6.67 1.79 -1.22 -3.02 116.57 121.85 2g2k h LYS 84 Ca 0.35 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2g2k h LYS 84 Cb 0.06 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 2g2k h LYS 84 CO -0.11 1.11 0.58 -0.07 -1.08 0.00 0.00 179.45 179.89 2g2k h LEU 85 N 0.77 1.07 -1.37 2.94 3.38 -0.37 -1.75 115.31 119.97 2g2k h LEU 85 Ca 0.07 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2g2k h LEU 85 Cb 0.92 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2g2k h LEU 85 CO 0.09 0.79 0.44 -0.61 0.09 0.00 0.00 178.44 179.24 2g2k h GLN 86 N 1.24 0.81 -0.15 1.13 4.15 -1.25 0.74 115.11 121.78 2g2k h GLN 86 Ca 0.33 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.65 2g2k h GLN 86 Cb -0.10 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.40 2g2k h GLN 86 CO -0.07 0.54 -0.10 -0.44 -1.93 0.00 0.00 178.83 176.83 2g2k h ASP 87 N 0.84 0.35 -0.23 -0.69 3.32 -1.26 -2.81 116.42 115.93 2g2k h ASP 87 Ca 0.26 -0.43 -0.18 0.00 0.02 0.00 0.00 57.03 56.70 2g2k h ASP 87 Cb 0.02 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2g2k h ASP 87 CO -0.07 0.71 -0.55 -0.03 -1.72 0.00 0.00 179.24 177.58 2g2k h MET 88 N -0.01 0.78 -0.70 3.56 4.05 -0.96 -2.60 114.93 119.04 2g2k h MET 88 Ca 0.03 -0.53 0.20 0.00 -0.28 0.00 0.00 59.70 59.12 2g2k h MET 88 Cb 0.59 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.43 2g2k h MET 88 CO 0.03 1.16 0.56 -0.07 0.23 0.00 0.00 176.91 178.81 2g2k h LEU 89 N 0.52 0.00 -0.50 3.39 3.38 0.46 0.17 115.31 122.74 2g2k h LEU 89 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2g2k h LEU 89 Cb 1.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 2g2k h LEU 89 CO 0.12 0.00 0.21 0.44 0.09 0.00 0.00 178.44 179.30 2g2k h ASP 90 N 0.00 0.26 0.11 -0.43 3.32 -1.19 -0.34 116.42 118.16 2g2k h ASP 90 Ca 0.33 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.35 2g2k h ASP 90 Cb 1.44 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.99 2g2k h ASP 90 CO -0.00 0.18 -0.28 1.23 -1.72 0.00 0.00 179.24 178.65 2g2k h GLY 91 N 0.41 0.29 0.81 2.75 0.00 -0.78 -2.73 103.07 103.82 2g2k h GLY 91 Ca 0.23 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2g2k h GLY 91 CO -0.20 0.21 0.65 -2.75 0.00 0.00 0.00 176.54 174.45 2g2k h PHE 92 N 0.24 1.22 -0.78 5.60 3.57 -0.82 -1.29 116.94 124.68 2g2k h PHE 92 Ca 0.04 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.74 2g2k h PHE 92 Cb 0.62 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 2g2k h PHE 92 CO 0.01 0.67 0.53 0.82 -2.23 0.00 0.00 178.31 178.11 2g2k h ILE 93 N 1.23 0.73 -0.32 1.41 5.03 -1.08 0.22 117.51 124.73 2g2k h ILE 93 Ca 0.42 -0.11 0.09 0.00 -0.12 0.00 0.00 64.86 65.14 2g2k h ILE 93 Cb 0.08 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 34.25 2g2k h ILE 93 CO -0.15 0.06 0.32 0.07 -0.68 0.00 0.00 178.15 177.77 2g2k h LYS 94 N 0.31 0.00 0.00 2.37 2.10 -1.34 -0.88 116.57 119.13 2g2k h LYS 94 Ca 0.39 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.03 2g2k h LYS 94 Cb 1.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2g2k h LYS 94 CO -0.11 0.00 -0.01 0.87 -2.00 0.00 0.00 179.45 178.20 2g2k h LYS 95 N 0.00 0.00 0.00 0.07 1.79 -0.69 -3.16 116.57 114.58 2g2k h LYS 95 Ca 0.15 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2g2k h LYS 95 Cb 0.80 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2g2k h LYS 95 CO -0.00 0.01 -1.24 1.97 -1.08 0.00 0.00 179.45 179.11 2g2k n PHE 96 N -4.24 0.00 0.33 -1.35 1.16 -0.41 -4.53 117.46 108.41 2g2k n PHE 96 Ca -0.03 0.00 0.18 0.00 -1.87 0.00 0.00 57.45 55.73 2g2k n PHE 96 Cb 0.10 -0.12 0.95 0.00 -1.61 0.00 0.00 39.48 38.80 2g2k n PHE 96 CO 0.00 0.00 0.00 -0.39 -1.87 0.00 0.00 176.76 174.50 2g2k h VAL 97 N 0.00 0.00 -0.26 1.97 -1.51 -1.30 -3.39 116.25 111.76 2g2k h VAL 97 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.39 2g2k h VAL 97 Cb 0.26 0.77 -0.03 0.00 -2.13 0.00 0.00 31.29 30.17 2g2k h VAL 97 CO 0.00 0.00 0.46 0.18 -1.23 0.00 0.00 177.57 176.98 2g2k n LEU 98 N -2.93 1.08 -4.86 4.19 7.99 -1.25 -4.76 117.00 116.47 2g2k n LEU 98 Ca -0.02 -1.29 -0.31 0.00 -0.01 0.00 0.00 56.01 54.38 2g2k n LEU 98 Cb 0.26 -1.42 -0.03 0.00 -0.11 0.00 0.00 43.42 42.13 2g2k n LEU 98 CO 0.15 -2.38 0.58 0.00 -1.51 0.00 0.00 177.39 174.24 2g2k n PRO 100 N -1.57 0.76 0.05 0.00 -0.04 -1.26 -3.64 135.00 129.30 2g2k n PRO 100 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2g2k n PRO 100 Cb 0.54 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 1.61 0.00 0.00 0.54 4.71 -1.26 -5.05 120.64 121.18 2g2k n GLU 101 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2g2k n GLU 101 Cb 0.38 -0.07 0.00 0.00 -1.01 0.00 0.00 31.44 30.73 2g2k n GLU 101 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2g2k h GLU 103 N 0.00 0.00 -0.52 0.00 4.57 -1.86 -3.35 114.58 113.42 2g2k h GLU 103 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2g2k h GLU 103 Cb 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.51 2g2k h GLU 103 CO 0.00 0.00 -0.22 -1.71 -1.18 0.00 0.00 179.01 175.90 2g2k n ASN 104 N -3.01 -0.38 -4.77 1.04 5.15 -1.26 -4.16 115.26 107.87 2g2k n ASN 104 Ca 0.04 0.91 -0.35 0.00 -0.60 0.00 0.00 54.58 54.58 2g2k n ASN 104 Cb 0.51 -0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 2g2k n ASN 104 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2g2k s PRO 105 N -5.45 3.32 -0.30 1.20 0.04 -1.26 -4.92 135.00 127.64 2g2k s PRO 105 Ca -0.07 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 2g2k s PRO 105 Cb 0.10 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2g2k s PRO 105 CO 0.36 -0.87 1.75 -2.00 0.04 0.00 0.00 177.00 176.28 2g2k s GLU 106 N -3.36 3.47 0.36 4.56 -6.30 -1.26 -4.90 118.70 111.27 2g2k s GLU 106 Ca 0.72 1.49 0.08 0.00 -2.50 0.00 0.00 54.97 54.76 2g2k s GLU 106 Cb -0.23 -4.15 -0.04 0.00 0.00 0.00 0.00 34.13 29.71 2g2k s GLU 106 CO 0.28 -1.70 0.21 0.95 0.02 0.00 0.00 175.26 175.02 2g2k s THR 107 N 6.39 2.97 -0.00 -1.70 -4.23 -1.26 -4.78 115.64 113.03 2g2k s THR 107 Ca 0.77 -1.58 0.05 0.00 -1.18 0.00 0.00 61.69 59.75 2g2k s THR 107 Cb -0.23 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 2g2k s THR 107 CO 0.33 -0.13 -0.13 1.51 -0.54 0.00 0.00 174.62 175.66 2g2k s ASP 108 N -3.92 4.12 0.00 3.99 1.47 -1.24 -5.05 116.67 116.04 2g2k s ASP 108 Ca 0.40 -0.26 0.01 0.00 1.18 0.00 0.00 52.55 53.88 2g2k s ASP 108 Cb -0.02 -0.83 -0.04 0.00 -0.34 0.00 0.00 42.92 41.69 2g2k s ASP 108 CO 0.24 0.30 0.04 -0.76 0.68 0.00 0.00 175.17 175.67 2g2k s LEU 109 N -1.16 3.71 -0.18 2.11 1.02 -1.26 -3.53 118.68 119.40 2g2k s LEU 109 Ca 0.14 0.06 0.01 0.00 0.02 0.00 0.00 54.13 54.36 2g2k s LEU 109 Cb -0.11 -2.16 0.03 0.00 0.02 0.00 0.00 46.19 43.97 2g2k s LEU 109 CO 0.04 0.27 -0.12 -1.38 0.02 0.00 0.00 176.35 175.17 2g2k s HIS 110 N -1.16 2.32 -0.11 0.29 -3.43 -1.11 -4.99 115.29 107.11 2g2k s HIS 110 Ca 0.22 -1.43 0.03 0.00 -0.80 0.00 0.00 55.06 53.07 2g2k s HIS 110 Cb -0.12 -1.63 -0.00 0.00 -1.43 0.00 0.00 32.58 29.39 2g2k s HIS 110 CO 0.13 -0.71 -0.20 0.54 -2.00 0.00 0.00 174.74 172.49 2g2k s VAL 111 N 1.43 2.39 -0.24 -5.38 0.11 -1.26 0.11 120.40 117.56 2g2k s VAL 111 Ca 0.02 -0.90 -0.08 0.00 -2.93 0.00 0.00 61.98 58.09 2g2k s VAL 111 Cb -0.15 -1.95 -0.04 0.00 -1.53 0.00 0.00 36.38 32.72 2g2k s VAL 111 CO -0.10 0.55 0.10 0.20 -3.33 0.00 0.00 175.10 172.52 2g2k s ASN 112 N 0.37 5.49 0.20 3.54 0.01 -0.02 -4.97 114.94 119.55 2g2k s ASN 112 Ca -0.16 -0.08 0.01 0.00 -0.71 0.00 0.00 52.86 51.93 2g2k s ASN 112 Cb -0.17 -1.98 0.11 0.00 0.41 0.00 0.00 41.25 39.62 2g2k s ASN 112 CO 0.07 0.02 1.47 1.55 -1.51 0.00 0.00 177.10 178.70 2g2k h PRO 113 N 7.84 0.32 -0.42 -0.60 0.13 -1.96 0.25 132.00 137.55 2g2k h PRO 113 Ca -0.37 -0.26 0.02 0.00 -0.87 0.00 0.00 66.00 64.52 2g2k h PRO 113 Cb 1.18 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2g2k h PRO 113 CO 0.61 0.90 0.28 -0.22 -0.23 0.00 0.00 178.00 179.33 2g2k h LYS 114 N 0.22 0.50 -0.02 0.86 1.63 -1.97 -2.17 116.57 115.62 2g2k h LYS 114 Ca -0.02 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2g2k h LYS 114 Cb 1.26 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 2g2k h LYS 114 CO 0.11 0.33 -0.11 0.36 -3.45 0.00 0.00 179.45 176.69 2g2k n LYS 115 N -4.48 1.39 -3.65 1.90 2.85 -1.18 -5.00 118.16 110.00 2g2k n LYS 115 Ca 0.04 -1.19 -0.23 0.00 -1.05 0.00 0.00 58.31 55.88 2g2k n LYS 115 Cb 0.10 -1.28 0.04 0.00 -0.65 0.00 0.00 35.03 33.24 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 0.51 -3.73 -3.83 -1.58 6.02 0.02 -4.99 117.38 109.78 2g2k n GLN 116 Ca 0.08 0.61 -0.12 0.00 -0.01 0.00 0.00 57.00 57.56 2g2k n GLN 116 Cb 0.36 -5.01 -0.10 0.00 1.02 0.00 0.00 30.24 26.51 2g2k n GLN 116 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2g2k s THR 117 N -3.60 0.05 -0.15 5.09 2.01 -0.83 -5.01 115.64 113.19 2g2k s THR 117 Ca 0.16 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 2g2k s THR 117 Cb -0.04 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 2g2k s THR 117 CO 0.82 -0.23 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.91 2g2k s ILE 118 N -0.83 3.23 0.32 1.82 1.10 -1.26 -0.84 121.20 124.74 2g2k s ILE 118 Ca -0.09 -0.59 0.06 0.00 -0.51 0.00 0.00 60.65 59.52 2g2k s ILE 118 Cb -0.05 -2.39 -0.01 0.00 0.15 0.00 0.00 42.46 40.16 2g2k s ILE 118 CO 0.01 0.51 0.46 -0.83 -2.11 0.00 0.00 174.94 172.98 2g2k s GLY 119 N 0.52 1.50 -0.05 1.50 0.00 0.29 -2.81 107.32 108.28 2g2k s GLY 119 Ca -0.07 -1.37 -0.01 0.00 0.00 0.00 0.00 44.72 43.26 2g2k s GLY 119 CO 0.04 -1.31 0.04 0.21 0.00 0.00 0.00 173.10 172.08 2g2k s ASN 120 N -4.13 1.10 -0.08 1.64 2.47 -0.22 -2.75 114.94 112.98 2g2k s ASN 120 Ca 0.43 0.02 0.03 0.00 0.42 0.00 0.00 52.86 53.76 2g2k s ASN 120 Cb -0.09 -0.23 0.01 0.00 -1.45 0.00 0.00 41.25 39.49 2g2k s ASN 120 CO 0.31 -0.21 -0.17 -0.55 -3.72 0.00 0.00 177.10 172.76 2g2k s SER 121 N 1.90 2.29 -0.11 -4.21 0.15 -1.23 0.12 113.70 112.62 2g2k s SER 121 Ca 0.02 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2g2k s SER 121 Cb -0.12 -1.01 -0.02 0.00 -1.71 0.00 0.00 66.02 63.16 2g2k s SER 121 CO -0.03 0.09 -0.11 0.00 1.20 0.00 0.00 173.24 174.38 2g2k n LYS 123 N 3.15 1.70 0.00 0.00 4.81 -1.26 -3.03 118.16 123.52 2g2k n LYS 123 Ca -0.18 -1.05 0.00 0.00 -0.87 0.00 0.00 58.31 56.21 2g2k n LYS 123 Cb 0.53 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.97 2g2k n LYS 123 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2g2k n ALA 124 N 1.37 1.50 -1.12 3.14 0.00 -1.26 -4.88 120.51 119.27 2g2k n ALA 124 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2g2k n ALA 124 Cb 0.64 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 0.00 2.38 0.00 0.00 0.00 -1.17 -4.91 105.19 101.50 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 -0.77 1.61 4.19 -1.25 -4.67 117.16 114.26 2g2k n TYR 127 Ca 0.00 0.00 -0.00 0.00 3.31 0.00 0.00 57.90 61.21 2g2k n TYR 127 Cb 0.00 -0.16 0.00 0.00 0.49 0.00 0.00 39.34 39.67 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 -1.85 -0.03 0.00 2.98 0.00 -1.22 -4.82 116.66 111.73 2g2k n ARG 128 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 2g2k n ARG 128 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 32.46 32.37 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 0.52 1.20 3.39 5.14 0.00 0.33 -4.89 105.19 110.88 2g2k n GLY 129 Ca -0.00 0.35 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 2g2k n GLY 129 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2g2k s MET 130 N 2.15 1.42 -0.45 1.61 -1.94 -1.25 -1.05 119.30 119.78 2g2k s MET 130 Ca 0.00 -1.40 -0.17 0.00 -1.71 0.00 0.00 55.69 52.41 2g2k s MET 130 Cb 0.00 -1.81 0.05 0.00 2.01 0.00 0.00 34.83 35.08 2g2k s MET 130 CO 0.00 0.41 0.44 -1.17 -0.01 0.00 0.00 175.02 174.69 2g2k s LEU 131 N -2.31 5.17 0.00 -0.03 0.20 -1.12 -4.12 118.68 116.47 2g2k s LEU 131 Ca 0.16 -0.97 0.00 0.00 0.69 0.00 0.00 54.13 54.01 2g2k s LEU 131 Cb -0.09 -2.30 0.00 0.00 -0.43 0.00 0.00 46.19 43.37 2g2k s LEU 131 CO 0.07 -0.64 0.00 0.47 -0.29 0.00 0.00 176.35 175.96 2g2k n ASP 132 N 5.51 0.00 -0.60 3.68 8.00 -1.26 -4.66 116.55 127.22 2g2k n ASP 132 Ca -0.09 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.46 2g2k n ASP 132 Cb 0.46 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 2g2k n ASP 132 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2g2k n THR 133 N -0.61 0.00 -1.79 -3.53 -1.04 -1.26 -4.47 114.28 101.57 2g2k n THR 133 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 2g2k n THR 133 Cb 0.00 -0.13 0.04 0.00 -1.82 0.00 0.00 70.33 68.42 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 -0.88 2.71 0.29 -1.42 3.76 -1.26 -4.81 115.29 113.68 2g2k s HIS 134 Ca 0.00 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 2g2k s HIS 134 Cb 0.00 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.57 2g2k s HIS 134 CO 0.00 -1.55 0.00 0.72 -0.85 0.00 0.00 174.74 173.06 2g2k n HIS 135 N -2.40 -2.78 -3.34 1.40 8.25 -1.26 -4.31 115.22 110.78 2g2k n HIS 135 Ca 0.10 1.41 -0.45 0.00 -0.26 0.00 0.00 57.72 58.51 2g2k n HIS 135 Cb 0.52 -2.52 -0.00 0.00 1.12 0.00 0.00 29.99 29.11 2g2k n HIS 135 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2g2k s LYS 136 N -2.34 4.08 0.00 -0.41 1.02 -1.26 -4.80 119.74 116.03 2g2k s LYS 136 Ca 0.00 -3.08 0.29 0.00 0.02 0.00 0.00 55.97 53.20 2g2k s LYS 136 Cb 0.00 -4.53 1.35 0.00 -0.52 0.00 0.00 37.83 34.13 2g2k s LYS 136 CO 0.00 -1.25 1.95 -0.11 -0.92 0.00 0.00 175.35 175.01 2g2k n LEU 137 N 2.93 0.22 -0.23 3.17 0.00 -1.26 -3.72 117.00 118.11 2g2k n LEU 137 Ca 0.22 0.17 -0.03 0.00 0.00 0.00 0.00 56.01 56.36 2g2k n LEU 137 Cb 0.41 -0.25 0.14 0.00 0.00 0.00 0.00 43.42 43.72 2g2k n LEU 137 CO 0.44 0.04 1.07 0.00 0.00 0.00 0.00 177.39 178.94 2g2k h THR 139 N 1.02 1.27 -0.17 0.00 1.35 -1.98 0.12 112.91 114.53 2g2k h THR 139 Ca 0.24 -1.42 0.01 0.00 -0.55 0.00 0.00 66.41 64.69 2g2k h THR 139 Cb 0.17 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.79 2g2k h THR 139 CO -0.02 0.48 0.07 0.15 -0.25 0.00 0.00 175.52 175.95 2g2k h PHE 140 N 0.80 0.13 -0.34 4.73 3.57 -1.68 -2.21 116.94 121.94 2g2k h PHE 140 Ca 0.09 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 2g2k h PHE 140 Cb 0.84 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2g2k h PHE 140 CO 0.06 0.07 -0.25 -0.84 -2.23 0.00 0.00 178.31 175.12 2g2k h ILE 141 N 0.16 1.29 -0.03 1.41 3.07 -1.42 -2.66 117.51 119.32 2g2k h ILE 141 Ca 0.07 -1.40 0.01 0.00 1.55 0.00 0.00 64.86 65.08 2g2k h ILE 141 Cb 0.03 1.45 -0.00 0.00 -0.27 0.00 0.00 36.82 38.02 2g2k h ILE 141 CO -0.06 0.46 0.34 -0.07 -1.05 0.00 0.00 178.15 177.78 2g2k h LEU 142 N 0.55 0.00 0.00 0.16 3.38 -0.39 0.52 115.31 119.52 2g2k h LEU 142 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2g2k h LEU 142 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2g2k h LEU 142 CO 0.07 0.00 -0.63 0.11 0.09 0.00 0.00 178.44 178.07 2g2k h LYS 143 N 0.00 0.00 -2.06 1.13 1.79 -1.04 -3.37 116.57 113.03 2g2k h LYS 143 Ca 0.02 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.97 2g2k h LYS 143 Cb 0.70 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.95 2g2k h LYS 143 CO -0.00 0.02 -0.99 0.09 -1.08 0.00 0.00 179.45 177.49 2g2k n ASN 144 N -2.86 2.24 -4.74 0.86 3.02 0.18 -5.10 115.26 108.86 2g2k n ASN 144 Ca 0.01 -3.26 -0.29 0.00 -0.03 0.00 0.00 54.58 51.02 2g2k n ASN 144 Cb 0.56 -0.59 0.15 0.00 -0.61 0.00 0.00 39.78 39.29 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 -2.85 0.90 0.43 3.52 0.04 -1.03 -4.94 135.00 131.06 2g2k s PRO 145 Ca 0.43 0.39 0.29 0.00 0.04 0.00 0.00 61.00 62.15 2g2k s PRO 145 Cb 0.33 -1.80 1.03 0.00 0.04 0.00 0.00 34.50 34.10 2g2k s PRO 145 CO -0.10 -2.39 1.83 -1.00 0.04 0.00 0.00 177.00 175.39 2g2k h PRO 146 N -1.64 0.00 -5.65 0.56 0.13 -1.91 -3.48 132.00 120.02 2g2k h PRO 146 Ca -0.52 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.55 2g2k h PRO 146 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2g2k h PRO 146 CO 0.60 0.00 -0.90 -1.91 -0.23 0.00 0.00 178.00 175.57 2g2k n GLU 147 N -2.80 -2.31 -2.38 0.86 2.13 -1.26 -4.60 120.64 110.28 2g2k n GLU 147 Ca 0.02 2.00 -0.03 0.00 0.66 0.00 0.00 57.16 59.82 2g2k n GLU 147 Cb 0.34 -4.08 -0.02 0.00 0.27 0.00 0.00 31.44 27.95 2g2k n GLU 147 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2g2k n ASN 148 N 0.41 -4.95 -4.48 4.31 5.15 -1.26 -4.97 115.26 109.47 2g2k n ASN 148 Ca 0.02 1.51 -0.36 0.00 -0.60 0.00 0.00 54.58 55.15 2g2k n ASN 148 Cb 0.33 -4.95 -0.12 0.00 -0.53 0.00 0.00 39.78 34.51 2g2k n ASN 148 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2g2k s SER 149 N -0.59 5.09 0.00 1.20 1.04 -1.26 -4.95 113.70 114.23 2g2k s SER 149 Ca -0.13 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2g2k s SER 149 Cb 0.01 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.24 2g2k s SER 149 CO 0.35 0.04 0.00 -0.67 0.98 0.00 0.00 173.24 173.94 2g2k n ASP 150 N 4.43 1.00 -4.80 7.02 2.03 -1.26 -5.06 116.55 119.92 2g2k n ASP 150 Ca -0.17 -0.09 -0.38 0.00 0.52 0.00 0.00 54.79 54.67 2g2k n ASP 150 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 2g2k n ASP 150 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2g2k s SER 151 N 0.83 6.94 0.00 1.67 0.15 -1.26 -4.39 113.70 117.63 2g2k s SER 151 Ca 0.00 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.76 2g2k s SER 151 Cb 0.00 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2g2k s SER 151 CO 0.00 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2g2k n GLY 152 N 2.08 1.97 2.49 9.45 0.00 -1.26 -4.89 105.19 115.03 2g2k n GLY 152 Ca -0.10 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 2g2k n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g2k s THR 153 N 0.00 0.03 -0.23 2.61 2.01 -1.26 -4.98 115.64 113.82 2g2k s THR 153 Ca 0.00 -2.16 -0.19 0.00 0.31 0.00 0.00 61.69 59.66 2g2k s THR 153 Cb 0.00 -0.98 -0.17 0.00 0.01 0.00 0.00 72.50 71.36 2g2k s THR 153 CO 0.00 -0.96 0.03 0.61 -0.69 0.00 0.00 174.62 173.61 2g2k n GLY 154 N 3.07 -0.71 0.54 4.40 0.00 -1.26 -4.85 105.19 106.38 2g2k n GLY 154 Ca 0.25 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.35 0.24 0.00 1.61 4.01 -1.26 -4.91 118.16 113.50 2g2k n LYS 155 Ca -0.40 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.50 2g2k n LYS 155 Cb 0.76 -0.89 0.00 0.00 -0.51 0.00 0.00 35.03 34.39 2g2k n LYS 155 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92