#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 -1.23 -0.21 1.96 0.15 -1.26 -5.12 113.70 108.00 2g2k s SER 2 Ca 0.00 -0.84 -0.03 0.00 0.70 0.00 0.00 55.95 55.78 2g2k s SER 2 Cb 0.00 1.81 0.07 0.00 -1.71 0.00 0.00 66.02 66.19 2g2k s SER 2 CO 0.00 -0.19 0.06 -0.69 1.20 0.00 0.00 173.24 173.62 2g2k s VAL 3 N 1.84 0.42 -0.55 4.45 1.01 -1.26 -5.09 120.40 121.22 2g2k s VAL 3 Ca 0.16 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 2g2k s VAL 3 Cb -0.06 -1.02 0.06 0.00 0.00 0.00 0.00 36.38 35.37 2g2k s VAL 3 CO -0.07 -0.30 0.74 0.20 0.00 0.00 0.00 175.10 175.67 2g2k s ASN 4 N 1.89 6.23 0.60 3.32 -0.87 -1.26 -4.89 114.94 119.97 2g2k s ASN 4 Ca 0.01 -0.90 0.30 0.00 -1.57 0.00 0.00 52.86 50.71 2g2k s ASN 4 Cb -0.17 -2.34 1.71 0.00 -0.02 0.00 0.00 41.25 40.44 2g2k s ASN 4 CO -0.12 -1.06 2.09 1.62 -2.57 0.00 0.00 177.10 177.06 2g2k h VAL 5 N 5.92 0.37 0.06 1.60 3.04 -1.98 -0.42 116.25 124.83 2g2k h VAL 5 Ca -0.28 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2g2k h VAL 5 Cb 1.09 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 2g2k h VAL 5 CO 1.04 0.00 -0.03 -1.13 -1.01 0.00 0.00 177.57 176.44 2g2k h ASN 6 N 0.00 -0.06 0.65 3.17 -0.00 -1.98 -3.15 115.58 114.21 2g2k h ASN 6 Ca 0.08 -0.58 0.00 0.00 -0.00 0.00 0.00 56.30 55.79 2g2k h ASN 6 Cb 0.51 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.85 2g2k h ASN 6 CO -0.00 0.64 0.00 0.54 -0.00 0.00 0.00 177.43 178.61 2g2k n ARG 7 N -4.78 0.19 0.00 6.67 1.74 -0.87 -1.79 116.66 117.81 2g2k n ARG 7 Ca -0.08 0.44 0.14 0.00 -0.77 0.00 0.00 57.85 57.58 2g2k n ARG 7 Cb 0.32 -1.88 0.52 0.00 -1.02 0.00 0.00 32.46 30.40 2g2k n ARG 7 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2g2k n SER 8 N -2.23 1.21 -4.78 0.55 2.88 -0.22 -4.89 113.62 106.14 2g2k n SER 8 Ca 0.02 -1.26 -0.36 0.00 -1.33 0.00 0.00 58.87 55.94 2g2k n SER 8 Cb 0.21 0.03 -0.04 0.00 -0.75 0.00 0.00 64.21 63.65 2g2k n SER 8 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2g2k s VAL 9 N -2.15 3.80 -0.01 2.46 1.01 -0.74 -4.92 120.40 119.84 2g2k s VAL 9 Ca 0.35 1.37 -0.39 0.00 0.00 0.00 0.00 61.98 63.31 2g2k s VAL 9 Cb 0.21 -3.71 -0.18 0.00 0.00 0.00 0.00 36.38 32.70 2g2k s VAL 9 CO 0.39 0.01 1.31 0.80 0.00 0.00 0.00 175.10 177.61 2g2k n MET 10 N -0.03 0.73 -1.69 2.72 1.56 -1.26 -4.74 117.12 114.41 2g2k n MET 10 Ca 0.05 0.26 -0.50 0.00 -0.27 0.00 0.00 57.70 57.24 2g2k n MET 10 Cb 0.50 -1.86 -0.05 0.00 2.15 0.00 0.00 33.22 33.96 2g2k n MET 10 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2g2k n ASP 11 N 2.59 3.28 0.15 6.12 2.03 -1.26 -4.81 116.55 124.64 2g2k n ASP 11 Ca 0.20 0.99 0.13 0.00 0.52 0.00 0.00 54.79 56.63 2g2k n ASP 11 Cb 0.14 -1.34 0.51 0.00 -0.72 0.00 0.00 41.12 39.71 2g2k n ASP 11 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2g2k h GLN 12 N 8.84 0.00 0.14 -0.67 4.20 -2.01 -3.07 115.11 122.53 2g2k h GLN 12 Ca -0.48 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 57.96 2g2k h GLN 12 Cb 1.28 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.07 2g2k h GLN 12 CO 0.95 0.00 -1.34 0.74 -0.67 0.00 0.00 178.83 178.51 2g2k h PHE 13 N 0.00 0.54 0.00 2.96 0.04 -2.00 -3.46 116.94 115.01 2g2k h PHE 13 Ca 0.00 -0.39 0.00 0.00 2.80 0.00 0.00 57.97 60.38 2g2k h PHE 13 Cb 0.40 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2g2k h PHE 13 CO 0.00 1.52 0.00 0.98 -0.60 0.00 0.00 178.31 180.21 2g2k n TYR 14 N -3.91 0.00 -0.41 -0.55 9.36 -1.16 -4.63 117.16 115.86 2g2k n TYR 14 Ca -0.22 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 60.90 2g2k n TYR 14 Cb 0.92 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.60 2g2k n TYR 14 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 2g2k n ARG 15 N 0.00 1.06 -4.00 2.98 1.85 -1.26 -4.74 116.66 112.55 2g2k n ARG 15 Ca 0.00 -0.80 -0.16 0.00 -1.00 0.00 0.00 57.85 55.89 2g2k n ARG 15 Cb 0.00 -2.04 -0.16 0.00 -1.05 0.00 0.00 32.46 29.21 2g2k n ARG 15 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 2g2k s TYR 16 N 3.34 0.36 0.28 2.89 6.14 -1.26 -5.15 117.35 123.95 2g2k s TYR 16 Ca 0.24 -0.04 0.09 0.00 0.64 0.00 0.00 57.07 58.00 2g2k s TYR 16 Cb 0.08 -0.37 -0.04 0.00 0.42 0.00 0.00 41.96 42.05 2g2k s TYR 16 CO -0.01 -0.09 0.03 0.21 0.64 0.00 0.00 175.55 176.33 2g2k s LYS 17 N 0.63 2.33 -0.44 4.97 2.20 -1.26 -5.09 119.74 123.08 2g2k s LYS 17 Ca -0.07 -1.44 -0.04 0.00 -0.36 0.00 0.00 55.97 54.06 2g2k s LYS 17 Cb -0.10 -2.17 0.12 0.00 -1.51 0.00 0.00 37.83 34.17 2g2k s LYS 17 CO -0.01 0.30 0.25 -1.64 -0.36 0.00 0.00 175.35 173.90 2g2k s MET 18 N -3.72 2.14 0.00 4.03 -1.94 -1.26 -4.91 119.30 113.64 2g2k s MET 18 Ca 0.33 -1.88 0.13 0.00 -1.71 0.00 0.00 55.69 52.56 2g2k s MET 18 Cb -0.05 -3.66 0.76 0.00 2.01 0.00 0.00 34.83 33.89 2g2k s MET 18 CO 0.21 -1.11 1.29 -0.35 -0.01 0.00 0.00 175.02 175.05 2g2k n PRO 19 N 4.55 0.73 -0.97 2.03 -0.04 -1.26 -4.82 135.00 135.21 2g2k n PRO 19 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2g2k n PRO 19 Cb 0.41 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.77 -1.40 -3.40 0.54 1.74 -1.26 -4.94 116.66 107.16 2g2k n ARG 20 Ca 0.10 0.35 -0.39 0.00 -0.77 0.00 0.00 57.85 57.14 2g2k n ARG 20 Cb 0.04 -4.48 -0.08 0.00 -1.02 0.00 0.00 32.46 26.93 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 4.09 -0.17 0.55 0.20 -1.26 -4.40 118.68 117.69 2g2k s LEU 21 Ca 0.00 0.39 -0.01 0.00 0.69 0.00 0.00 54.13 55.20 2g2k s LEU 21 Cb 0.00 -2.46 -0.00 0.00 -0.43 0.00 0.00 46.19 43.30 2g2k s LEU 21 CO 0.00 -0.13 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.17 2g2k s ILE 22 N 1.69 2.78 -0.14 6.68 1.01 -1.26 -4.81 121.20 127.15 2g2k s ILE 22 Ca 0.17 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 2g2k s ILE 22 Cb -0.15 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 2g2k s ILE 22 CO 0.09 0.50 -0.02 0.00 0.00 0.00 0.00 174.94 175.50 2g2k s ALA 23 N 1.02 3.11 -0.07 9.38 0.00 -1.26 -3.67 121.76 130.27 2g2k s ALA 23 Ca -0.01 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.18 2g2k s ALA 23 Cb -0.15 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 2g2k s ALA 23 CO -0.03 0.31 -0.18 0.21 0.00 0.00 0.00 175.76 176.07 2g2k s LYS 24 N 0.04 2.72 -0.15 0.00 2.47 -0.01 -4.72 119.74 120.09 2g2k s LYS 24 Ca 0.01 -0.76 -0.07 0.00 -1.56 0.00 0.00 55.97 53.59 2g2k s LYS 24 Cb -0.13 -2.36 -0.04 0.00 -1.46 0.00 0.00 37.83 33.83 2g2k s LYS 24 CO 0.02 0.45 0.09 0.08 0.16 0.00 0.00 175.35 176.15 2g2k s VAL 25 N -0.30 5.03 0.03 4.02 1.01 -1.26 0.14 120.40 129.08 2g2k s VAL 25 Ca 0.02 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.09 2g2k s VAL 25 Cb -0.13 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 2g2k s VAL 25 CO 0.03 0.53 -0.16 -1.61 0.00 0.00 0.00 175.10 173.88 2g2k s GLU 26 N -0.23 1.10 -0.70 2.72 2.02 -0.04 -4.94 118.70 118.63 2g2k s GLU 26 Ca 0.09 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2g2k s GLU 26 Cb -0.12 -1.14 0.39 0.00 0.10 0.00 0.00 34.13 33.36 2g2k s GLU 26 CO 0.01 0.29 1.76 0.41 0.02 0.00 0.00 175.26 177.75 2g2k n GLY 27 N 1.98 5.73 3.41 -1.39 0.00 -1.26 -1.67 105.19 111.99 2g2k n GLY 27 Ca -0.17 -2.54 -0.28 0.00 0.00 0.00 0.00 46.02 43.03 2g2k n GLY 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2g2k s LYS 28 N -3.89 1.46 4.25 1.61 2.20 -1.26 -4.47 119.74 119.63 2g2k s LYS 28 Ca 0.53 -1.44 0.00 0.00 -0.36 0.00 0.00 55.97 54.69 2g2k s LYS 28 Cb 0.44 -1.86 0.00 0.00 -1.51 0.00 0.00 37.83 34.90 2g2k s LYS 28 CO -0.29 0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 2g2k n GLY 29 N 0.55 1.38 0.23 5.54 0.00 -1.26 -2.70 105.19 108.93 2g2k n GLY 29 Ca -0.15 0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.20 2g2k n GLY 29 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2g2k h ASN 30 N 0.00 0.00 0.00 1.61 -0.00 -1.94 -3.46 115.58 111.79 2g2k h ASN 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2g2k h ASN 30 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 2g2k h ASN 30 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.04 2g2k n GLY 31 N 0.35 0.70 2.97 1.57 0.00 -1.10 -4.96 105.19 104.73 2g2k n GLY 31 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 2g2k n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g2k s ILE 32 N -2.19 -0.70 0.12 -0.61 -1.09 -1.23 -4.27 121.20 111.22 2g2k s ILE 32 Ca 0.00 -0.57 0.07 0.00 -2.23 0.00 0.00 60.65 57.93 2g2k s ILE 32 Cb 0.00 -0.30 -0.04 0.00 -1.58 0.00 0.00 42.46 40.55 2g2k s ILE 32 CO 0.00 -0.27 -0.18 -0.54 -1.23 0.00 0.00 174.94 172.72 2g2k s LYS 33 N 1.53 1.10 -0.21 2.79 1.02 -0.67 -0.08 119.74 125.23 2g2k s LYS 33 Ca 0.18 -1.22 -0.05 0.00 0.02 0.00 0.00 55.97 54.90 2g2k s LYS 33 Cb -0.08 -1.19 -0.02 0.00 -0.52 0.00 0.00 37.83 36.02 2g2k s LYS 33 CO -0.05 0.26 0.01 0.99 -0.92 0.00 0.00 175.35 175.63 2g2k s THR 34 N -1.65 4.00 -0.26 2.17 2.01 0.62 -0.86 115.64 121.68 2g2k s THR 34 Ca 0.09 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 2g2k s THR 34 Cb -0.08 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 2g2k s THR 34 CO 0.04 0.42 0.05 -0.69 -0.69 0.00 0.00 174.62 173.75 2g2k s VAL 35 N 1.09 3.93 -0.24 3.82 1.01 0.38 0.20 120.40 130.59 2g2k s VAL 35 Ca 0.03 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 2g2k s VAL 35 Cb -0.14 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2g2k s VAL 35 CO 0.02 0.25 0.34 0.27 0.00 0.00 0.00 175.10 175.98 2g2k s ILE 36 N 1.53 5.22 -0.26 2.22 -0.00 -0.97 -0.83 121.20 128.11 2g2k s ILE 36 Ca 0.05 0.55 -0.04 0.00 -0.00 0.00 0.00 60.65 61.21 2g2k s ILE 36 Cb -0.16 -3.67 -0.15 0.00 -0.00 0.00 0.00 42.46 38.48 2g2k s ILE 36 CO 0.01 0.23 -0.27 0.52 -0.00 0.00 0.00 174.94 175.43 2g2k n VAL 37 N 4.66 1.46 0.74 8.37 0.31 -1.24 -4.13 118.33 128.50 2g2k n VAL 37 Ca -0.10 -0.49 0.09 0.00 -0.01 0.00 0.00 64.34 63.83 2g2k n VAL 37 Cb 0.51 -1.56 0.05 0.00 -0.91 0.00 0.00 33.84 31.93 2g2k n VAL 37 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2g2k n ASN 38 N -3.59 2.21 -0.10 4.52 4.05 -1.26 -4.43 115.26 116.66 2g2k n ASN 38 Ca -0.48 -1.61 -0.10 0.00 0.45 0.00 0.00 54.58 52.84 2g2k n ASN 38 Cb 0.94 0.15 -0.03 0.00 1.23 0.00 0.00 39.78 42.08 2g2k n ASN 38 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 2g2k h MET 39 N 2.95 0.50 -0.28 1.20 4.05 -1.77 -0.49 114.93 121.10 2g2k h MET 39 Ca 0.00 -0.12 -0.15 0.00 -0.28 0.00 0.00 59.70 59.15 2g2k h MET 39 Cb 0.68 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 2g2k h MET 39 CO 0.00 0.58 -0.41 -0.24 0.23 0.00 0.00 176.91 177.07 2g2k h VAL 40 N 0.34 1.30 -0.05 -5.77 3.04 -1.84 -0.48 116.25 112.79 2g2k h VAL 40 Ca 0.10 -1.60 -0.00 0.00 -1.01 0.00 0.00 66.70 64.19 2g2k h VAL 40 Cb 0.30 1.64 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 2g2k h VAL 40 CO 0.00 0.51 0.02 -0.78 -1.01 0.00 0.00 177.57 176.32 2g2k h ASP 41 N 0.52 0.06 -0.32 3.17 3.58 -1.75 0.12 116.42 121.80 2g2k h ASP 41 Ca 0.03 -0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.28 2g2k h ASP 41 Cb 1.00 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 2g2k h ASP 41 CO 0.09 0.15 -0.13 -0.37 -2.88 0.00 0.00 179.24 176.10 2g2k h VAL 42 N -0.04 1.29 -0.28 2.25 -1.51 -1.12 -0.15 116.25 116.70 2g2k h VAL 42 Ca 0.02 -1.22 -0.01 0.00 -1.23 0.00 0.00 66.70 64.26 2g2k h VAL 42 Cb 0.11 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 2g2k h VAL 42 CO -0.00 0.40 0.15 0.00 -1.23 0.00 0.00 177.57 176.89 2g2k h ALA 43 N 0.77 0.36 -0.34 5.19 0.00 -0.98 0.17 119.26 124.43 2g2k h ALA 43 Ca 0.07 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2g2k h ALA 43 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2g2k h ALA 43 CO 0.04 -0.12 -0.24 -0.22 0.00 0.00 0.00 179.25 178.71 2g2k h LYS 44 N 0.34 0.66 -0.08 0.00 3.64 -0.72 2.18 116.57 122.58 2g2k h LYS 44 Ca 0.10 -0.27 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 2g2k h LYS 44 Cb 0.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2g2k h LYS 44 CO -0.02 0.85 -0.47 0.00 -2.27 0.00 0.00 179.45 177.54 2g2k h ALA 45 N 1.15 1.07 -0.01 5.00 0.00 -0.69 -3.13 119.26 122.65 2g2k h ALA 45 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2g2k h ALA 45 Cb 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2g2k h ALA 45 CO 0.06 0.63 -0.08 1.47 0.00 0.00 0.00 179.25 181.32 2g2k n LEU 46 N -3.98 1.89 0.00 0.00 -0.00 0.02 -5.05 117.00 109.88 2g2k n LEU 46 Ca -0.02 -0.93 0.00 0.00 -0.00 0.00 0.00 56.01 55.06 2g2k n LEU 46 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2g2k n LEU 46 CO 0.42 0.35 0.00 -3.20 -0.00 0.00 0.00 177.39 174.96 2g2k n ASN 47 N 0.46 0.00 -4.84 1.45 2.85 0.73 -5.02 115.26 110.89 2g2k n ASN 47 Ca 0.07 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.32 2g2k n ASN 47 Cb 0.31 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.40 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 1.58 2.12 0.04 1.20 0.52 -1.22 -3.77 118.95 119.42 2g2k s ARG 48 Ca 0.00 -1.04 -0.31 0.00 -0.52 0.00 0.00 55.73 53.87 2g2k s ARG 48 Cb 0.00 -2.44 -0.06 0.00 0.52 0.00 0.00 34.95 32.98 2g2k s ARG 48 CO 0.00 -1.06 1.26 -1.25 0.02 0.00 0.00 175.30 174.27 2g2k s PRO 49 N -4.92 4.38 0.00 3.54 0.04 -1.26 -3.87 135.00 132.91 2g2k s PRO 49 Ca 0.62 1.84 0.12 0.00 0.04 0.00 0.00 61.00 63.62 2g2k s PRO 49 Cb -0.07 -3.39 0.71 0.00 0.04 0.00 0.00 34.50 31.78 2g2k s PRO 49 CO 0.41 -0.36 1.28 -0.35 0.04 0.00 0.00 177.00 178.02 2g2k n PRO 50 N 4.34 0.77 0.17 0.56 -0.04 -1.26 -3.73 135.00 135.81 2g2k n PRO 50 Ca 0.10 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.73 2g2k n PRO 50 Cb 0.45 -1.24 0.79 0.00 -0.04 0.00 0.00 33.50 33.46 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 0.00 0.54 0.00 0.52 1.35 -1.98 0.84 112.91 114.18 2g2k h THR 51 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 2g2k h THR 51 Cb 0.00 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 2g2k h THR 51 CO 0.00 0.00 -0.37 0.22 -0.25 0.00 0.00 175.52 175.12 2g2k h TYR 52 N 0.00 0.00 0.00 4.73 3.20 -1.99 -3.37 116.97 119.53 2g2k h TYR 52 Ca 0.11 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2g2k h TYR 52 Cb 0.56 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 2g2k h TYR 52 CO 0.00 0.50 -0.20 -1.00 -1.64 0.00 0.00 178.16 175.82 2g2k h PRO 53 N -1.00 0.00 0.00 1.82 0.13 -1.77 -2.98 132.00 128.20 2g2k h PRO 53 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2g2k h PRO 53 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2g2k h PRO 53 CO -0.04 0.20 0.15 0.00 -0.23 0.00 0.00 178.00 178.08 2g2k h THR 54 N 0.00 0.00 -0.18 1.56 1.03 0.55 -1.54 112.91 114.33 2g2k h THR 54 Ca -0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.33 2g2k h THR 54 Cb 0.69 0.51 -0.00 0.00 -1.07 0.00 0.00 68.15 68.28 2g2k h THR 54 CO 0.03 0.00 -0.17 0.50 -0.01 0.00 0.00 175.52 175.87 2g2k h LYS 55 N 0.00 0.44 -0.05 0.00 3.64 -1.73 -2.25 116.57 116.62 2g2k h LYS 55 Ca 0.00 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2g2k h LYS 55 Cb 0.31 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2g2k h LYS 55 CO 0.00 0.79 0.02 1.88 -2.27 0.00 0.00 179.45 179.87 2g2k h TYR 56 N 0.10 0.07 -0.77 1.91 -1.99 -1.51 -2.46 116.97 112.31 2g2k h TYR 56 Ca 0.03 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.82 2g2k h TYR 56 Cb 0.70 -0.02 -0.05 0.00 2.00 0.00 0.00 36.73 39.36 2g2k h TYR 56 CO 0.08 0.15 0.50 0.74 -0.00 0.00 0.00 178.16 179.63 2g2k h PHE 57 N -0.03 0.83 -0.94 4.88 0.04 -1.59 -0.87 116.94 119.25 2g2k h PHE 57 Ca 0.02 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.82 2g2k h PHE 57 Cb 0.10 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 37.93 2g2k h PHE 57 CO -0.04 0.43 0.62 0.78 -0.60 0.00 0.00 178.31 179.50 2g2k h GLY 58 N 0.81 1.33 0.95 -1.45 0.00 -0.95 -1.45 103.07 102.31 2g2k h GLY 58 Ca 0.33 -0.48 0.07 0.00 0.00 0.00 0.00 47.33 47.24 2g2k h GLY 58 CO -0.12 0.46 0.53 0.00 0.00 0.00 0.00 176.54 177.41 2g2k h GLU 60 N 0.88 0.07 -0.37 0.00 3.07 -1.20 -1.94 114.58 115.09 2g2k h GLU 60 Ca 0.35 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 2g2k h GLU 60 Cb 0.24 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2g2k h GLU 60 CO -0.12 0.07 0.00 1.47 -1.40 0.00 0.00 179.01 179.02 2g2k n LEU 61 N -5.04 1.02 0.00 1.33 -0.00 -0.92 -4.83 117.00 108.57 2g2k n LEU 61 Ca -0.06 -0.51 0.00 0.00 -0.00 0.00 0.00 56.01 55.43 2g2k n LEU 61 Cb 0.04 -0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 2g2k n LEU 61 CO 0.33 0.21 0.00 0.61 -0.00 0.00 0.00 177.39 178.55 2g2k n GLY 62 N 0.53 0.21 3.61 1.47 0.00 -0.73 -4.85 105.19 105.42 2g2k n GLY 62 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.53 3.12 0.00 4.61 0.00 -0.09 -4.94 121.76 122.93 2g2k s ALA 63 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.04 2g2k s ALA 63 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2g2k s ALA 63 CO 0.00 0.12 0.00 0.94 0.00 0.00 0.00 175.76 176.82 2g2k n GLN 64 N -0.89 0.00 -4.04 0.00 -0.06 -1.26 -3.04 117.38 108.09 2g2k n GLN 64 Ca -0.05 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.86 2g2k n GLN 64 Cb 0.62 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.73 2g2k n GLN 64 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2g2k s THR 65 N 2.84 0.00 -0.09 1.69 -4.23 -1.26 -3.26 115.64 111.33 2g2k s THR 65 Ca 0.00 -1.54 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 2g2k s THR 65 Cb 0.00 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.58 2g2k s THR 65 CO 0.00 0.00 0.23 -1.10 -0.54 0.00 0.00 174.62 173.21 2g2k s GLN 66 N -4.02 0.26 0.01 3.99 -1.52 0.50 -4.73 119.66 114.16 2g2k s GLN 66 Ca 0.26 0.32 0.06 0.00 -1.95 0.00 0.00 55.36 54.05 2g2k s GLN 66 Cb 0.01 0.12 -0.02 0.00 -0.22 0.00 0.00 33.01 32.91 2g2k s GLN 66 CO 0.10 -0.03 -0.18 -0.06 -0.25 0.00 0.00 175.29 174.87 2g2k s PHE 67 N 0.14 1.59 -0.20 0.91 0.08 -1.26 -0.84 117.98 118.40 2g2k s PHE 67 Ca -0.00 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.73 2g2k s PHE 67 Cb -0.02 -0.98 0.03 0.00 -0.57 0.00 0.00 43.02 41.48 2g2k s PHE 67 CO 0.00 0.02 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.46 2g2k s ASP 68 N -0.79 3.43 -0.16 1.36 1.11 -0.40 -4.98 116.67 116.25 2g2k s ASP 68 Ca 0.06 -0.83 -0.15 0.00 0.18 0.00 0.00 52.55 51.81 2g2k s ASP 68 Cb -0.08 -1.48 -0.23 0.00 1.07 0.00 0.00 42.92 42.20 2g2k s ASP 68 CO 0.00 -0.05 0.33 -0.37 1.18 0.00 0.00 175.17 176.27 2g2k h VAL 69 N 6.15 0.83 0.00 -1.27 -1.51 -1.95 0.71 116.25 119.22 2g2k h VAL 69 Ca -0.39 -2.28 0.00 0.00 -1.23 0.00 0.00 66.70 62.80 2g2k h VAL 69 Cb 1.11 2.42 0.00 0.00 -2.13 0.00 0.00 31.29 32.69 2g2k h VAL 69 CO 0.59 0.60 0.00 1.17 -1.23 0.00 0.00 177.57 178.70 2g2k n LYS 70 N -3.99 0.22 0.00 5.19 3.00 -1.26 -2.94 118.16 118.38 2g2k n LYS 70 Ca -0.31 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 2g2k n LYS 70 Cb 0.85 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.38 2g2k n LYS 70 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2g2k n ASN 71 N -1.30 4.67 -0.59 3.14 3.02 -1.24 -5.00 115.26 117.95 2g2k n ASN 71 Ca 0.08 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.55 2g2k n ASN 71 Cb 0.14 0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 39.96 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 -1.66 -4.36 -4.38 6.41 8.00 0.25 -4.98 116.55 115.82 2g2k n ASP 72 Ca 0.00 0.19 -0.33 0.00 0.71 0.00 0.00 54.79 55.36 2g2k n ASP 72 Cb 0.25 -2.54 -0.14 0.00 -0.02 0.00 0.00 41.12 38.66 2g2k n ASP 72 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2g2k s ARG 73 N -2.37 3.41 -0.07 -1.24 3.52 -1.11 -4.91 118.95 116.17 2g2k s ARG 73 Ca 0.00 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 54.95 2g2k s ARG 73 Cb 0.00 -2.67 -0.02 0.00 -1.56 0.00 0.00 34.95 30.70 2g2k s ARG 73 CO 0.00 0.20 -0.12 0.71 -0.81 0.00 0.00 175.30 175.27 2g2k s TYR 74 N 0.40 2.78 0.07 5.12 2.02 -1.26 -1.27 117.35 125.21 2g2k s TYR 74 Ca -0.10 -0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.46 2g2k s TYR 74 Cb -0.16 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 2g2k s TYR 74 CO 0.05 0.15 -0.17 -1.50 -1.57 0.00 0.00 175.55 172.51 2g2k s ILE 75 N -0.53 1.33 -0.13 2.71 2.07 -0.02 -2.29 121.20 124.33 2g2k s ILE 75 Ca 0.07 -1.31 -0.00 0.00 -1.41 0.00 0.00 60.65 58.01 2g2k s ILE 75 Cb -0.12 -1.23 -0.02 0.00 0.13 0.00 0.00 42.46 41.23 2g2k s ILE 75 CO 0.02 -0.10 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.13 2g2k s VAL 76 N -1.12 3.08 0.51 4.00 1.01 0.52 0.19 120.40 128.59 2g2k s VAL 76 Ca 0.02 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 2g2k s VAL 76 Cb -0.09 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 2g2k s VAL 76 CO 0.03 0.52 0.67 0.59 0.00 0.00 0.00 175.10 176.91 2g2k n ASN 77 N 3.52 -0.39 0.00 3.32 3.02 -1.20 0.57 115.26 124.10 2g2k n ASN 77 Ca -0.18 0.84 0.00 0.00 -0.03 0.00 0.00 54.58 55.21 2g2k n ASN 77 Cb 0.53 -1.22 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 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 1.62 -0.77 3.47 7.41 0.00 0.89 -4.41 105.19 113.40 2g2k n GLY 78 Ca 0.11 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 2g2k n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g2k s SER 79 N -1.70 5.09 -0.01 1.61 1.04 -1.18 0.23 113.70 118.78 2g2k s SER 79 Ca 0.00 -0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.23 2g2k s SER 79 Cb 0.00 -1.90 -0.00 0.00 0.10 0.00 0.00 66.02 64.22 2g2k s SER 79 CO 0.00 0.02 0.06 -1.00 0.98 0.00 0.00 173.24 173.30 2g2k s HIS 80 N 1.28 0.05 0.50 5.02 3.76 -1.26 -4.96 115.29 119.68 2g2k s HIS 80 Ca 0.04 -0.10 -0.14 0.00 -0.15 0.00 0.00 55.06 54.71 2g2k s HIS 80 Cb -0.15 -0.06 -0.07 0.00 1.11 0.00 0.00 32.58 33.42 2g2k s HIS 80 CO 0.03 -0.15 0.93 -2.00 -0.85 0.00 0.00 174.74 172.70 2g2k s GLU 81 N -0.76 3.86 0.24 1.40 2.12 -1.26 -4.69 118.70 119.62 2g2k s GLU 81 Ca -0.08 0.80 -0.04 0.00 0.36 0.00 0.00 54.97 56.00 2g2k s GLU 81 Cb -0.05 -2.20 0.45 0.00 0.26 0.00 0.00 34.13 32.59 2g2k s GLU 81 CO 0.00 -0.24 1.75 0.00 -0.54 0.00 0.00 175.26 176.23 2g2k h ALA 82 N 0.87 1.09 -0.25 6.30 0.00 -1.87 0.18 119.26 125.58 2g2k h ALA 82 Ca -0.47 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 2g2k h ALA 82 Cb 1.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2g2k h ALA 82 CO 0.62 -0.15 -0.09 -0.97 0.00 0.00 0.00 179.25 178.66 2g2k h ASN 83 N 0.51 0.39 -0.42 0.00 -1.24 -1.92 -2.46 115.58 110.44 2g2k h ASN 83 Ca 0.41 -0.08 -0.06 0.00 0.71 0.00 0.00 56.30 57.27 2g2k h ASN 83 Cb 0.58 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 2g2k h ASN 83 CO -0.37 0.52 0.04 0.50 -1.29 0.00 0.00 177.43 176.84 2g2k h LYS 84 N 0.38 0.79 -0.75 6.67 1.63 -1.03 -2.39 116.57 121.88 2g2k h LYS 84 Ca 0.08 -0.19 0.01 0.00 -0.85 0.00 0.00 60.65 59.69 2g2k h LYS 84 Cb 0.40 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.89 2g2k h LYS 84 CO 0.02 0.77 0.50 -0.07 -3.45 0.00 0.00 179.45 177.22 2g2k h LEU 85 N 0.75 0.86 -0.69 5.20 4.07 -0.85 -2.33 115.31 122.31 2g2k h LEU 85 Ca 0.15 -0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.96 2g2k h LEU 85 Cb 0.39 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2g2k h LEU 85 CO 0.01 0.62 -0.38 1.56 -1.08 0.00 0.00 178.44 179.17 2g2k h GLN 86 N 1.01 0.58 -0.36 1.13 4.20 -1.47 -3.11 115.11 117.08 2g2k h GLN 86 Ca 0.28 -0.28 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2g2k h GLN 86 Cb -0.11 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2g2k h GLN 86 CO -0.06 0.86 0.22 -0.44 -0.67 0.00 0.00 178.83 178.74 2g2k h ASP 87 N 0.48 0.36 -0.08 1.46 5.19 -0.92 1.14 116.42 124.05 2g2k h ASP 87 Ca 0.05 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 2g2k h ASP 87 Cb 0.87 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 2g2k h ASP 87 CO 0.08 0.26 0.02 0.00 -3.12 0.00 0.00 179.24 176.48 2g2k h MET 88 N 0.45 0.13 -0.15 3.56 -0.00 -1.50 0.64 114.93 118.06 2g2k h MET 88 Ca 0.14 -0.03 -0.11 0.00 -0.00 0.00 0.00 59.70 59.70 2g2k h MET 88 Cb -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.56 2g2k h MET 88 CO -0.06 0.31 -0.38 1.25 -0.00 0.00 0.00 176.91 178.04 2g2k h LEU 89 N -0.07 0.33 -0.82 -0.10 7.12 -1.46 -2.77 115.31 117.54 2g2k h LEU 89 Ca 0.03 -0.14 -0.06 0.00 0.13 0.00 0.00 57.88 57.84 2g2k h LEU 89 Cb 0.24 -0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 40.25 2g2k h LEU 89 CO 0.00 0.69 0.17 -0.78 -0.13 0.00 0.00 178.44 178.39 2g2k h ASP 90 N 0.27 0.99 -0.43 1.25 3.58 0.17 -2.32 116.42 119.93 2g2k h ASP 90 Ca 0.03 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.26 2g2k h ASP 90 Cb 0.80 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 2g2k h ASP 90 CO 0.06 0.95 0.20 1.23 -2.88 0.00 0.00 179.24 178.80 2g2k h GLY 91 N 1.06 0.71 0.75 -0.78 0.00 -0.59 0.16 103.07 104.40 2g2k h GLY 91 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2g2k h GLY 91 CO -0.00 0.32 -0.06 0.74 0.00 0.00 0.00 176.54 177.54 2g2k h PHE 92 N 0.66 -0.15 -0.65 5.60 0.04 -1.34 -2.72 116.94 118.39 2g2k h PHE 92 Ca 0.16 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.85 2g2k h PHE 92 Cb 0.11 0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 2g2k h PHE 92 CO 0.01 0.11 0.11 -0.84 -0.60 0.00 0.00 178.31 177.10 2g2k h ILE 93 N -0.41 1.26 -0.31 -0.55 3.07 -1.19 -2.47 117.51 116.90 2g2k h ILE 93 Ca -0.02 -1.02 0.09 0.00 1.55 0.00 0.00 64.86 65.46 2g2k h ILE 93 Cb 0.34 0.66 -0.01 0.00 -0.27 0.00 0.00 36.82 37.54 2g2k h ILE 93 CO 0.03 0.38 0.31 0.50 -1.05 0.00 0.00 178.15 178.32 2g2k h LYS 94 N 0.99 0.00 -0.88 0.16 3.64 -0.60 0.37 116.57 120.25 2g2k h LYS 94 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2g2k h LYS 94 Cb 0.43 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2g2k h LYS 94 CO 0.01 0.00 0.57 -0.22 -2.27 0.00 0.00 179.45 177.54 2g2k h LYS 95 N 0.00 1.18 0.00 1.90 3.64 -1.11 -3.16 116.57 119.02 2g2k h LYS 95 Ca 0.15 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2g2k h LYS 95 Cb 0.76 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2g2k h LYS 95 CO -0.00 0.79 -1.34 1.97 -2.27 0.00 0.00 179.45 178.60 2g2k n PHE 96 N -4.45 0.00 -0.01 1.91 1.16 -0.75 -4.59 117.46 110.73 2g2k n PHE 96 Ca 0.10 0.00 0.21 0.00 -1.87 0.00 0.00 57.45 55.88 2g2k n PHE 96 Cb 0.03 -0.23 0.69 0.00 -1.61 0.00 0.00 39.48 38.36 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 0.72 0.00 1.97 -1.51 -0.43 -2.92 116.25 114.08 2g2k h VAL 97 Ca -0.13 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.20 2g2k h VAL 97 Cb 1.24 0.72 -0.03 0.00 -2.13 0.00 0.00 31.29 31.09 2g2k h VAL 97 CO -0.01 0.00 0.30 0.00 -1.23 0.00 0.00 177.57 176.63 2g2k n LEU 98 N -4.36 3.05 -4.75 4.19 -0.00 -1.19 -3.31 117.00 110.62 2g2k n LEU 98 Ca 0.10 -2.05 -0.37 0.00 -0.00 0.00 0.00 56.01 53.70 2g2k n LEU 98 Cb 0.63 -0.80 0.03 0.00 -0.00 0.00 0.00 43.42 43.28 2g2k n LEU 98 CO 0.37 0.67 0.87 0.00 -0.00 0.00 0.00 177.39 179.31 2g2k n PRO 100 N -1.32 0.59 0.00 0.00 -0.04 -1.26 -0.04 135.00 132.93 2g2k n PRO 100 Ca 0.12 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.60 2g2k n PRO 100 Cb 0.48 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.86 4.05 0.00 0.54 -0.58 -1.26 -4.90 120.64 117.64 2g2k n GLU 101 Ca 0.10 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2g2k n GLU 101 Cb 0.05 -0.77 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 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 -2.52 -0.41 0.09 0.00 0.00 0.94 -4.42 120.64 114.31 2g2k n GLU 103 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2g2k n GLU 103 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 31.44 31.12 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 -0.06 -1.55 -4.78 4.31 3.02 -1.26 -4.84 115.26 110.10 2g2k n ASN 104 Ca -0.06 0.60 -0.35 0.00 -0.03 0.00 0.00 54.58 54.75 2g2k n ASN 104 Cb 0.14 1.73 -0.01 0.00 -0.61 0.00 0.00 39.78 41.02 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 -1.89 3.50 0.09 3.52 0.04 -1.26 -4.97 135.00 134.04 2g2k s PRO 105 Ca 0.00 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.29 2g2k s PRO 105 Cb 0.00 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2g2k s PRO 105 CO 0.00 -0.72 1.39 -1.21 0.04 0.00 0.00 177.00 176.51 2g2k s GLU 106 N -3.22 4.31 0.35 4.56 0.41 -1.26 -4.78 118.70 119.09 2g2k s GLU 106 Ca 0.71 2.05 0.08 0.00 -0.41 0.00 0.00 54.97 57.40 2g2k s GLU 106 Cb -0.22 -3.32 -0.04 0.00 -1.78 0.00 0.00 34.13 28.77 2g2k s GLU 106 CO 0.26 -0.46 0.20 0.95 -0.49 0.00 0.00 175.26 175.72 2g2k s THR 107 N 1.38 3.02 0.01 3.63 -4.23 -1.26 -4.00 115.64 114.19 2g2k s THR 107 Ca 0.65 -1.59 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 2g2k s THR 107 Cb -0.36 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 2g2k s THR 107 CO 0.30 -0.14 -0.13 -0.62 -0.54 0.00 0.00 174.62 173.48 2g2k s ASP 108 N -3.91 4.13 -0.35 3.99 2.15 -0.94 -4.94 116.67 116.80 2g2k s ASP 108 Ca 0.40 -0.28 -0.08 0.00 0.43 0.00 0.00 52.55 53.01 2g2k s ASP 108 Cb -0.03 -0.82 0.03 0.00 -0.30 0.00 0.00 42.92 41.80 2g2k s ASP 108 CO 0.24 0.28 0.15 -0.22 -0.17 0.00 0.00 175.17 175.45 2g2k s LEU 109 N -1.30 4.43 -0.22 -1.34 0.20 -1.26 -2.41 118.68 116.78 2g2k s LEU 109 Ca 0.15 -1.01 0.01 0.00 0.69 0.00 0.00 54.13 53.97 2g2k s LEU 109 Cb -0.11 -1.94 0.04 0.00 -0.43 0.00 0.00 46.19 43.75 2g2k s LEU 109 CO 0.05 -0.33 -0.15 -1.38 -0.29 0.00 0.00 176.35 174.25 2g2k s HIS 110 N 1.48 2.99 -0.18 5.38 -3.43 -0.94 -4.99 115.29 115.60 2g2k s HIS 110 Ca 0.01 -1.88 -0.13 0.00 -0.80 0.00 0.00 55.06 52.25 2g2k s HIS 110 Cb -0.19 -1.94 -0.05 0.00 -1.43 0.00 0.00 32.58 28.97 2g2k s HIS 110 CO 0.04 -0.82 0.27 0.14 -2.00 0.00 0.00 174.74 172.37 2g2k s VAL 111 N 1.23 5.31 -0.21 -5.38 -7.23 -1.26 -1.00 120.40 111.86 2g2k s VAL 111 Ca -0.01 0.48 -0.21 0.00 -1.81 0.00 0.00 61.98 60.43 2g2k s VAL 111 Cb -0.16 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 2g2k s VAL 111 CO -0.09 0.36 0.67 0.20 -0.31 0.00 0.00 175.10 175.93 2g2k s ASN 112 N 0.64 6.71 0.14 4.85 -0.87 -0.03 -4.93 114.94 121.45 2g2k s ASN 112 Ca 0.15 0.86 -0.07 0.00 -1.57 0.00 0.00 52.86 52.23 2g2k s ASN 112 Cb -0.13 -2.36 -0.04 0.00 -0.02 0.00 0.00 41.25 38.70 2g2k s ASN 112 CO 0.04 -0.32 1.38 1.55 -2.57 0.00 0.00 177.10 177.17 2g2k h PRO 113 N 7.55 0.58 -0.80 -0.60 0.13 -1.95 0.35 132.00 137.25 2g2k h PRO 113 Ca -0.30 -0.48 0.01 0.00 -0.87 0.00 0.00 66.00 64.36 2g2k h PRO 113 Cb 1.13 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2g2k h PRO 113 CO 0.79 1.10 0.53 0.87 -0.23 0.00 0.00 178.00 181.06 2g2k h LYS 114 N 0.40 1.05 -0.02 0.86 1.79 -1.97 -2.55 116.57 116.12 2g2k h LYS 114 Ca -0.04 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2g2k h LYS 114 Cb 1.35 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2g2k h LYS 114 CO 0.14 0.69 -0.15 1.17 -1.08 0.00 0.00 179.45 180.22 2g2k n LYS 115 N -4.53 1.91 -3.88 3.15 4.81 -1.22 -4.97 118.16 113.43 2g2k n LYS 115 Ca 0.08 -1.59 -0.28 0.00 -0.87 0.00 0.00 58.31 55.66 2g2k n LYS 115 Cb 0.02 -1.45 0.02 0.00 0.02 0.00 0.00 35.03 33.64 2g2k n LYS 115 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2g2k n GLN 116 N 0.86 -4.93 -4.56 1.64 6.02 0.11 -4.96 117.38 111.56 2g2k n GLN 116 Ca 0.12 0.57 -0.27 0.00 -0.01 0.00 0.00 57.00 57.40 2g2k n GLN 116 Cb 0.54 -5.27 -0.08 0.00 1.02 0.00 0.00 30.24 26.46 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 -3.48 0.57 -0.06 5.09 -4.23 -0.70 -4.96 115.64 107.87 2g2k s THR 117 Ca 0.41 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 2g2k s THR 117 Cb -0.21 -2.25 0.01 0.00 1.34 0.00 0.00 72.50 71.40 2g2k s THR 117 CO 0.84 0.00 -0.11 -0.63 -0.54 0.00 0.00 174.62 174.18 2g2k s ILE 118 N -3.14 1.05 0.33 2.99 1.01 -1.26 -0.85 121.20 121.32 2g2k s ILE 118 Ca 0.19 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.50 2g2k s ILE 118 Cb 0.01 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 2g2k s ILE 118 CO 0.13 0.33 -0.00 -0.83 0.00 0.00 0.00 174.94 174.58 2g2k s GLY 119 N 0.65 2.01 -0.02 6.18 0.00 -0.17 -3.11 107.32 112.86 2g2k s GLY 119 Ca -0.13 -1.92 -0.02 0.00 0.00 0.00 0.00 44.72 42.65 2g2k s GLY 119 CO 0.03 -1.89 0.06 0.21 0.00 0.00 0.00 173.10 171.51 2g2k s ASN 120 N -3.70 -0.03 -0.16 1.64 2.47 -0.65 -2.22 114.94 112.29 2g2k s ASN 120 Ca 0.34 0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.74 2g2k s ASN 120 Cb -0.01 0.08 0.00 0.00 -1.45 0.00 0.00 41.25 39.87 2g2k s ASN 120 CO 0.19 -0.06 -0.16 -0.55 -3.72 0.00 0.00 177.10 172.81 2g2k s SER 121 N 0.37 3.58 -0.16 -4.21 0.15 -1.01 0.16 113.70 112.58 2g2k s SER 121 Ca -0.03 -0.50 -0.09 0.00 0.70 0.00 0.00 55.95 56.03 2g2k s SER 121 Cb -0.04 -1.55 -0.05 0.00 -1.71 0.00 0.00 66.02 62.67 2g2k s SER 121 CO -0.01 0.07 0.15 0.00 1.20 0.00 0.00 173.24 174.65 2g2k h LYS 123 N 6.03 0.00 0.00 0.00 3.64 -1.87 0.73 116.57 125.10 2g2k h LYS 123 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2g2k h LYS 123 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2g2k h LYS 123 CO 0.69 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.87 2g2k n ALA 124 N -1.84 1.94 0.00 5.00 0.00 -1.26 -4.87 120.51 119.48 2g2k n ALA 124 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2g2k n ALA 124 Cb 0.46 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.09 0.00 0.00 0.00 -1.26 -3.49 105.19 98.34 2g2k n GLY 126 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.39 0.00 -1.80 1.61 9.36 -1.26 -4.93 117.16 117.75 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 0.00 -0.12 0.00 2.98 0.63 -1.23 -4.85 116.66 114.07 2g2k n ARG 128 Ca 0.00 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 2g2k n ARG 128 Cb 0.00 -0.45 0.00 0.00 0.45 0.00 0.00 32.46 32.46 2g2k n ARG 128 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2g2k n GLY 129 N 1.97 -1.43 3.41 5.14 0.00 0.42 -4.89 105.19 109.81 2g2k n GLY 129 Ca 0.00 0.54 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.24 1.61 1.75 -1.26 -1.63 119.30 120.99 2g2k s MET 130 Ca 0.00 -1.37 -0.08 0.00 -1.25 0.00 0.00 55.69 52.99 2g2k s MET 130 Cb 0.00 -1.91 -0.04 0.00 2.84 0.00 0.00 34.83 35.73 2g2k s MET 130 CO 0.00 0.44 0.09 -1.17 -0.65 0.00 0.00 175.02 173.73 2g2k s LEU 131 N -2.19 3.64 0.07 4.11 0.20 -1.18 -4.41 118.68 118.92 2g2k s LEU 131 Ca 0.16 -0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.88 2g2k s LEU 131 Cb -0.10 -1.97 0.00 0.00 -0.43 0.00 0.00 46.19 43.69 2g2k s LEU 131 CO 0.07 0.01 0.00 -0.90 -0.29 0.00 0.00 176.35 175.25 2g2k n ASP 132 N 4.60 0.30 0.00 3.68 5.68 -1.26 -4.84 116.55 124.71 2g2k n ASP 132 Ca -0.16 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 2g2k n ASP 132 Cb 0.52 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 2g2k n ASP 132 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2g2k n THR 133 N -3.12 0.00 0.00 2.12 -1.04 -1.26 -4.61 114.28 106.38 2g2k n THR 133 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2g2k n THR 133 Cb 0.20 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 2g2k n THR 133 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2g2k n HIS 134 N 9.18 0.00 0.00 -1.42 8.25 -1.26 -5.03 115.22 124.95 2g2k n HIS 134 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2g2k n HIS 134 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2g2k n HIS 134 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2g2k n HIS 135 N 0.00 -1.21 -3.54 4.41 8.25 -1.26 -4.89 115.22 116.98 2g2k n HIS 135 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2g2k n HIS 135 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.85 3.50 -0.02 -0.41 1.02 -1.26 -4.84 119.74 116.87 2g2k s LYS 136 Ca 0.00 -3.15 -0.16 0.00 0.02 0.00 0.00 55.97 52.68 2g2k s LYS 136 Cb 0.00 -4.14 -0.33 0.00 -0.52 0.00 0.00 37.83 32.85 2g2k s LYS 136 CO 0.00 -1.25 0.83 1.25 -0.92 0.00 0.00 175.35 175.26 2g2k h LEU 137 N 6.40 0.66 -0.83 3.17 7.12 -1.90 -3.22 115.31 126.70 2g2k h LEU 137 Ca 0.15 -0.92 0.06 0.00 0.13 0.00 0.00 57.88 57.30 2g2k h LEU 137 Cb 0.86 -0.21 -0.06 0.00 -0.53 0.00 0.00 40.66 40.71 2g2k h LEU 137 CO 0.88 1.67 0.51 0.00 -0.13 0.00 0.00 178.44 181.37 2g2k h THR 139 N 0.92 1.26 -0.11 0.00 2.02 -1.96 0.89 112.91 115.93 2g2k h THR 139 Ca 0.37 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 2g2k h THR 139 Cb 0.19 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2g2k h THR 139 CO -0.18 0.35 0.06 0.15 0.37 0.00 0.00 175.52 176.27 2g2k h PHE 140 N 1.14 0.16 -0.33 3.16 3.04 -1.32 -1.67 116.94 121.12 2g2k h PHE 140 Ca 0.25 -0.01 -0.12 0.00 3.98 0.00 0.00 57.97 62.08 2g2k h PHE 140 Cb 0.27 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 2g2k h PHE 140 CO 0.02 0.19 -0.27 -0.84 -2.02 0.00 0.00 178.31 175.40 2g2k h ILE 141 N 0.08 1.29 -0.14 1.41 3.07 -1.08 -2.69 117.51 119.45 2g2k h ILE 141 Ca 0.04 -1.42 0.04 0.00 1.55 0.00 0.00 64.86 65.06 2g2k h ILE 141 Cb 0.09 1.48 -0.01 0.00 -0.27 0.00 0.00 36.82 38.11 2g2k h ILE 141 CO -0.01 0.46 0.26 0.25 -1.05 0.00 0.00 178.15 178.07 2g2k h LEU 142 N 0.53 0.00 -0.16 0.16 5.85 0.10 0.25 115.31 122.05 2g2k h LEU 142 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2g2k h LEU 142 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2g2k h LEU 142 CO 0.07 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.46 2g2k n LYS 143 N -3.37 0.05 -0.94 1.25 4.76 -0.65 -4.80 118.16 114.47 2g2k n LYS 143 Ca 0.01 0.28 -0.33 0.00 -2.87 0.00 0.00 58.31 55.40 2g2k n LYS 143 Cb 0.36 -1.59 0.14 0.00 -1.84 0.00 0.00 35.03 32.10 2g2k n LYS 143 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2g2k n ASN 144 N -1.67 0.36 -4.80 4.39 5.03 0.89 -4.96 115.26 114.51 2g2k n ASN 144 Ca 0.03 0.51 -0.31 0.00 0.87 0.00 0.00 54.58 55.67 2g2k n ASN 144 Cb 0.19 -1.45 0.06 0.00 -1.02 0.00 0.00 39.78 37.55 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 -4.16 2.75 -0.01 3.52 0.04 -1.26 -4.99 135.00 130.89 2g2k s PRO 145 Ca 0.69 1.10 -0.22 0.00 0.04 0.00 0.00 61.00 62.62 2g2k s PRO 145 Cb -0.27 -1.96 -0.20 0.00 0.04 0.00 0.00 34.50 32.11 2g2k s PRO 145 CO 0.55 -1.25 1.16 -1.00 0.04 0.00 0.00 177.00 176.50 2g2k h PRO 146 N -0.61 0.28 -1.93 0.56 0.13 -1.96 -3.47 132.00 125.00 2g2k h PRO 146 Ca -0.44 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 64.42 2g2k h PRO 146 Cb 1.22 0.05 -0.21 0.00 0.13 0.00 0.00 31.00 32.19 2g2k h PRO 146 CO 0.55 0.89 0.22 -1.83 -0.23 0.00 0.00 178.00 177.59 2g2k s GLU 147 N -3.58 0.89 0.71 0.86 1.03 -1.26 -5.04 118.70 112.30 2g2k s GLU 147 Ca -0.15 0.57 0.00 0.00 0.03 0.00 0.00 54.97 55.42 2g2k s GLU 147 Cb 0.03 0.42 0.00 0.00 -0.80 0.00 0.00 34.13 33.78 2g2k s GLU 147 CO 0.76 -0.21 0.00 0.09 -1.33 0.00 0.00 175.26 174.58 2g2k n ASN 148 N 1.70 0.00 -2.85 0.83 3.02 -1.26 -4.81 115.26 111.90 2g2k n ASN 148 Ca -0.16 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.38 2g2k n ASN 148 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 2g2k n ASN 148 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2g2k n SER 149 N 2.18 -7.68 -3.69 6.41 7.64 -1.26 -5.01 113.62 112.21 2g2k n SER 149 Ca 0.00 1.13 -0.13 0.00 1.01 0.00 0.00 58.87 60.88 2g2k n SER 149 Cb 0.00 -4.46 -0.07 0.00 -1.01 0.00 0.00 64.21 58.67 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 -1.55 -0.26 0.18 6.43 -1.08 -1.26 -5.05 116.67 114.08 2g2k s ASP 150 Ca 0.02 0.02 -0.14 0.00 -0.52 0.00 0.00 52.55 51.94 2g2k s ASP 150 Cb -0.00 0.40 0.10 0.00 -1.46 0.00 0.00 42.92 41.96 2g2k s ASP 150 CO 0.62 -0.61 1.80 0.28 0.52 0.00 0.00 175.17 177.78 2g2k h SER 151 N 3.21 0.44 -3.49 -0.34 0.02 -2.05 -3.37 113.55 107.98 2g2k h SER 151 Ca -0.31 0.01 -0.60 0.00 -0.84 0.00 0.00 61.79 60.05 2g2k h SER 151 Cb 1.19 -0.08 -0.11 0.00 0.14 0.00 0.00 62.40 63.55 2g2k h SER 151 CO 0.43 0.31 0.60 -0.83 -1.14 0.00 0.00 176.83 176.19 2g2k s GLY 152 N -2.76 1.43 -0.02 -3.77 0.00 -1.26 -4.92 107.32 96.03 2g2k s GLY 152 Ca -0.13 -0.94 -0.24 0.00 0.00 0.00 0.00 44.72 43.41 2g2k s GLY 152 CO 0.74 2.07 1.16 -0.84 0.00 0.00 0.00 173.10 176.22 2g2k h THR 153 N 6.07 1.00 -5.27 0.90 2.02 -2.02 -3.48 112.91 112.13 2g2k h THR 153 Ca -0.25 -0.94 -0.19 0.00 0.77 0.00 0.00 66.41 65.80 2g2k h THR 153 Cb 1.07 1.55 0.15 0.00 -1.74 0.00 0.00 68.15 69.19 2g2k h THR 153 CO 1.05 0.21 -0.65 0.61 0.37 0.00 0.00 175.52 177.11 2g2k n GLY 154 N 0.13 -1.05 1.08 2.16 0.00 -1.26 -4.73 105.19 101.52 2g2k n GLY 154 Ca -0.09 0.51 0.13 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.85 -2.07 -0.33 1.61 4.76 -1.26 -5.28 118.16 112.74 2g2k n LYS 155 Ca -0.05 1.48 0.00 0.00 -2.87 0.00 0.00 58.31 56.86 2g2k n LYS 155 Cb 0.59 -2.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.19 2g2k n LYS 155 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20