#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 4.23 -0.02 -1.43 0.01 -1.26 -4.85 113.70 110.37 2g2k s SER 2 Ca 0.00 -2.98 0.03 0.00 1.31 0.00 0.00 55.95 54.31 2g2k s SER 2 Cb 0.00 -1.56 0.05 0.00 0.21 0.00 0.00 66.02 64.72 2g2k s SER 2 CO 0.00 -0.23 1.00 0.55 0.41 0.00 0.00 173.24 174.97 2g2k n VAL 3 N 3.14 0.34 -1.91 3.43 3.14 -1.26 -5.09 118.33 120.13 2g2k n VAL 3 Ca 0.06 -0.41 -0.33 0.00 -2.96 0.00 0.00 64.34 60.70 2g2k n VAL 3 Cb 0.32 0.39 0.03 0.00 -1.06 0.00 0.00 33.84 33.52 2g2k n VAL 3 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2g2k s ASN 4 N -1.29 5.53 0.02 6.55 3.84 -1.26 -4.91 114.94 123.43 2g2k s ASN 4 Ca 0.06 1.85 0.17 0.00 0.21 0.00 0.00 52.86 55.15 2g2k s ASN 4 Cb 0.05 -2.54 0.73 0.00 -0.55 0.00 0.00 41.25 38.94 2g2k s ASN 4 CO 0.01 -1.34 1.55 0.55 -2.79 0.00 0.00 177.10 175.07 2g2k n VAL 5 N -2.26 0.86 0.32 -5.21 3.14 -1.26 -2.78 118.33 111.14 2g2k n VAL 5 Ca 0.09 0.21 0.22 0.00 -2.96 0.00 0.00 64.34 61.90 2g2k n VAL 5 Cb 0.53 -0.94 1.10 0.00 -1.06 0.00 0.00 33.84 33.46 2g2k n VAL 5 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2g2k h ASN 6 N 0.00 0.00 0.34 6.55 -1.07 -1.91 -1.65 115.58 117.85 2g2k h ASN 6 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.26 2g2k h ASN 6 Cb 0.30 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.53 2g2k h ASN 6 CO 0.00 0.00 -0.45 0.08 0.07 0.00 0.00 177.43 177.13 2g2k h ARG 7 N 0.00 0.14 -0.00 4.14 0.11 -1.91 -2.76 114.38 114.10 2g2k h ARG 7 Ca -0.00 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.01 2g2k h ARG 7 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 2g2k h ARG 7 CO 0.00 0.57 -0.45 0.43 0.10 0.00 0.00 179.97 180.62 2g2k n SER 8 N -3.99 0.80 -4.21 0.08 7.64 -0.64 -4.73 113.62 108.57 2g2k n SER 8 Ca -0.02 -0.60 -0.37 0.00 1.01 0.00 0.00 58.87 58.90 2g2k n SER 8 Cb 0.50 0.28 -0.12 0.00 -1.01 0.00 0.00 64.21 63.85 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 -2.80 3.52 0.00 0.44 1.01 -1.04 -4.86 120.40 116.68 2g2k s VAL 9 Ca 0.16 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.68 2g2k s VAL 9 Cb 0.18 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2g2k s VAL 9 CO 0.64 -0.33 0.00 0.23 0.00 0.00 0.00 175.10 175.64 2g2k n MET 10 N 4.73 0.00 -3.71 2.72 2.00 -1.26 -4.85 117.12 116.75 2g2k n MET 10 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.22 2g2k n MET 10 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.53 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 0.00 5.42 0.12 7.83 2.15 -1.26 -4.93 116.67 126.00 2g2k s ASP 11 Ca 0.00 -1.04 0.26 0.00 0.43 0.00 0.00 52.55 52.19 2g2k s ASP 11 Cb 0.00 -1.92 0.65 0.00 -0.30 0.00 0.00 42.92 41.35 2g2k s ASP 11 CO 0.00 -0.33 1.58 0.00 -0.17 0.00 0.00 175.17 176.25 2g2k n GLN 12 N 4.87 0.21 -0.30 4.34 -0.00 -1.26 -4.14 117.38 121.11 2g2k n GLN 12 Ca -0.12 0.11 -0.04 0.00 -0.00 0.00 0.00 57.00 56.95 2g2k n GLN 12 Cb 0.45 -1.69 0.01 0.00 -0.00 0.00 0.00 30.24 29.02 2g2k n GLN 12 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 2g2k h PHE 13 N 0.00 -1.12 -4.28 2.61 3.57 -2.06 -3.47 116.94 112.20 2g2k h PHE 13 Ca 0.00 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2g2k h PHE 13 Cb 0.68 0.60 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2g2k h PHE 13 CO 0.00 -0.40 -0.52 0.98 -2.23 0.00 0.00 178.31 176.14 2g2k n TYR 14 N -5.44 -2.31 0.00 0.41 4.19 -1.26 -5.00 117.16 107.76 2g2k n TYR 14 Ca 0.06 1.00 0.00 0.00 3.31 0.00 0.00 57.90 62.28 2g2k n TYR 14 Cb 0.37 -3.00 0.00 0.00 0.49 0.00 0.00 39.34 37.20 2g2k n TYR 14 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 2g2k n ARG 15 N 0.24 4.50 -4.46 2.98 3.00 -1.26 -5.01 116.66 116.66 2g2k n ARG 15 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.53 2g2k n ARG 15 Cb 0.06 -0.58 -0.12 0.00 0.00 0.00 0.00 32.46 31.81 2g2k n ARG 15 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2g2k s TYR 16 N -1.13 3.00 0.16 -0.14 2.02 -1.26 -5.08 117.35 114.92 2g2k s TYR 16 Ca 0.00 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.40 2g2k s TYR 16 Cb 0.00 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.58 2g2k s TYR 16 CO 0.00 -0.05 -0.05 -1.59 -1.57 0.00 0.00 175.55 172.29 2g2k s LYS 17 N 0.33 1.08 -0.28 -0.62 -2.85 -1.26 -5.13 119.74 111.01 2g2k s LYS 17 Ca -0.05 -1.49 -0.03 0.00 -1.00 0.00 0.00 55.97 53.40 2g2k s LYS 17 Cb -0.14 -0.44 0.11 0.00 -2.06 0.00 0.00 37.83 35.30 2g2k s LYS 17 CO 0.03 -0.03 0.18 1.41 0.10 0.00 0.00 175.35 177.04 2g2k s MET 18 N -3.83 0.22 -1.07 1.78 1.75 -1.26 -5.05 119.30 111.84 2g2k s MET 18 Ca 0.20 -0.38 -0.20 0.00 -1.25 0.00 0.00 55.69 54.06 2g2k s MET 18 Cb 0.05 -1.04 -0.08 0.00 2.84 0.00 0.00 34.83 36.60 2g2k s MET 18 CO 0.02 -1.00 1.95 -0.35 -0.65 0.00 0.00 175.02 174.99 2g2k n PRO 19 N 5.27 1.98 -3.23 4.11 -0.04 -1.26 -4.54 135.00 137.29 2g2k n PRO 19 Ca -0.05 -2.35 -0.01 0.00 -0.04 0.00 0.00 63.50 61.06 2g2k n PRO 19 Cb 0.44 -3.29 -0.04 0.00 -0.04 0.00 0.00 33.50 30.57 2g2k n PRO 19 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2g2k s ARG 20 N 5.03 0.49 -0.24 0.54 0.52 -1.26 -5.07 118.95 118.96 2g2k s ARG 20 Ca 0.58 0.84 -0.16 0.00 -0.52 0.00 0.00 55.73 56.47 2g2k s ARG 20 Cb 0.09 0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.69 2g2k s ARG 20 CO 0.09 -0.62 0.42 -1.17 0.02 0.00 0.00 175.30 174.03 2g2k s LEU 21 N 2.74 4.09 -0.23 2.53 1.98 -1.26 -4.66 118.68 123.88 2g2k s LEU 21 Ca 0.18 0.45 -0.07 0.00 -2.89 0.00 0.00 54.13 51.80 2g2k s LEU 21 Cb -0.15 -2.52 -0.03 0.00 0.66 0.00 0.00 46.19 44.15 2g2k s LEU 21 CO -0.19 -0.16 0.05 -0.63 -1.89 0.00 0.00 176.35 173.53 2g2k s ILE 22 N 1.78 4.22 -0.23 6.68 1.09 -1.26 -4.82 121.20 128.67 2g2k s ILE 22 Ca 0.18 -0.21 -0.07 0.00 -1.10 0.00 0.00 60.65 59.45 2g2k s ILE 22 Cb -0.15 -2.95 -0.03 0.00 -1.06 0.00 0.00 42.46 38.26 2g2k s ILE 22 CO 0.09 0.37 0.07 0.00 -0.10 0.00 0.00 174.94 175.37 2g2k s ALA 23 N 1.37 3.24 -0.06 9.38 0.00 -1.26 -3.52 121.76 130.91 2g2k s ALA 23 Ca 0.05 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 51.03 2g2k s ALA 23 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 2g2k s ALA 23 CO 0.03 -0.31 -0.20 0.21 0.00 0.00 0.00 175.76 175.49 2g2k s LYS 24 N 1.28 2.63 -0.07 0.00 2.20 -1.09 -4.76 119.74 119.92 2g2k s LYS 24 Ca 0.05 -0.80 -0.15 0.00 -0.36 0.00 0.00 55.97 54.71 2g2k s LYS 24 Cb -0.15 -2.30 -0.05 0.00 -1.51 0.00 0.00 37.83 33.83 2g2k s LYS 24 CO 0.04 0.45 0.38 0.14 -0.36 0.00 0.00 175.35 176.00 2g2k s VAL 25 N -0.31 5.16 0.21 4.02 -7.23 -1.26 0.40 120.40 121.39 2g2k s VAL 25 Ca 0.02 0.77 0.09 0.00 -1.81 0.00 0.00 61.98 61.04 2g2k s VAL 25 Cb -0.13 -3.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 2g2k s VAL 25 CO 0.02 0.47 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.56 2g2k s GLU 26 N -0.27 2.27 -0.94 4.82 2.56 -0.47 -4.93 118.70 121.73 2g2k s GLU 26 Ca 0.22 -1.27 -0.00 0.00 0.00 0.00 0.00 54.97 53.92 2g2k s GLU 26 Cb -0.15 -2.23 0.31 0.00 2.00 0.00 0.00 34.13 34.06 2g2k s GLU 26 CO 0.10 0.42 1.46 0.41 -0.56 0.00 0.00 175.26 177.08 2g2k n GLY 27 N -0.37 5.58 3.11 -1.50 0.00 -1.26 -3.32 105.19 107.43 2g2k n GLY 27 Ca -0.09 -2.66 -0.13 0.00 0.00 0.00 0.00 46.02 43.14 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 -3.46 0.27 1.37 1.61 2.20 -1.26 -4.77 119.74 115.69 2g2k s LYS 28 Ca 0.38 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 2g2k s LYS 28 Cb 0.15 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 2g2k s LYS 28 CO -0.03 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 2g2k n GLY 29 N 3.07 1.61 0.90 5.54 0.00 -1.26 -3.70 105.19 111.34 2g2k n GLY 29 Ca -0.14 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 4.86 2.85 0.00 1.61 4.13 -1.26 -4.93 115.26 122.53 2g2k n ASN 30 Ca 0.00 -1.93 0.00 0.00 1.68 0.00 0.00 54.58 54.33 2g2k n ASN 30 Cb 0.00 0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 2g2k n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2g2k n GLY 31 N 1.35 1.01 2.83 7.41 0.00 -1.24 -4.91 105.19 111.64 2g2k n GLY 31 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.75 -0.52 0.01 -0.61 -1.09 -1.25 -4.65 121.20 109.35 2g2k s ILE 32 Ca 0.00 -0.95 0.05 0.00 -2.23 0.00 0.00 60.65 57.52 2g2k s ILE 32 Cb 0.00 -0.47 -0.02 0.00 -1.58 0.00 0.00 42.46 40.40 2g2k s ILE 32 CO 0.00 -0.43 -0.14 -0.75 -1.23 0.00 0.00 174.94 172.39 2g2k s LYS 33 N 1.27 1.05 -0.19 2.79 2.47 -1.21 -2.33 119.74 123.58 2g2k s LYS 33 Ca 0.21 -0.64 -0.12 0.00 -1.56 0.00 0.00 55.97 53.86 2g2k s LYS 33 Cb -0.08 -1.04 -0.05 0.00 -1.46 0.00 0.00 37.83 35.20 2g2k s LYS 33 CO -0.06 0.27 0.21 0.99 0.16 0.00 0.00 175.35 176.92 2g2k s THR 34 N -0.59 5.35 -0.21 3.43 2.01 0.75 -1.37 115.64 125.01 2g2k s THR 34 Ca 0.04 0.34 -0.09 0.00 0.31 0.00 0.00 61.69 62.29 2g2k s THR 34 Cb -0.07 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 2g2k s THR 34 CO 0.00 0.39 0.12 0.68 -0.69 0.00 0.00 174.62 175.12 2g2k s VAL 35 N 0.58 5.15 -0.25 3.82 -7.23 0.16 0.67 120.40 123.30 2g2k s VAL 35 Ca 0.11 0.10 -0.17 0.00 -1.81 0.00 0.00 61.98 60.22 2g2k s VAL 35 Cb -0.12 -3.36 -0.03 0.00 0.56 0.00 0.00 36.38 33.42 2g2k s VAL 35 CO 0.02 0.41 0.45 -0.51 -0.31 0.00 0.00 175.10 175.15 2g2k s ILE 36 N 0.67 5.13 -0.26 -0.62 1.10 -1.16 -2.66 121.20 123.40 2g2k s ILE 36 Ca 0.06 0.75 -0.09 0.00 -0.51 0.00 0.00 60.65 60.86 2g2k s ILE 36 Cb -0.12 -3.77 -0.13 0.00 0.15 0.00 0.00 42.46 38.59 2g2k s ILE 36 CO 0.01 0.14 -0.31 0.52 -2.11 0.00 0.00 174.94 173.20 2g2k n VAL 37 N 4.97 1.45 -0.90 4.00 0.31 -1.23 -4.66 118.33 122.28 2g2k n VAL 37 Ca -0.06 -0.43 0.08 0.00 -0.01 0.00 0.00 64.34 63.92 2g2k n VAL 37 Cb 0.50 -1.72 0.16 0.00 -0.91 0.00 0.00 33.84 31.88 2g2k n VAL 37 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2g2k n ASN 38 N -3.90 2.78 -0.12 4.52 4.13 -1.26 -4.71 115.26 116.70 2g2k n ASN 38 Ca -0.50 -2.91 -0.10 0.00 1.68 0.00 0.00 54.58 52.75 2g2k n ASN 38 Cb 0.90 -0.41 -0.02 0.00 -1.54 0.00 0.00 39.78 38.71 2g2k n ASN 38 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 2g2k h MET 39 N 0.61 0.55 -0.32 3.52 1.85 -1.87 -1.26 114.93 118.01 2g2k h MET 39 Ca 0.00 -0.12 -0.16 0.00 -0.61 0.00 0.00 59.70 58.80 2g2k h MET 39 Cb 1.06 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 33.01 2g2k h MET 39 CO 0.06 0.58 -0.45 -0.39 -0.40 0.00 0.00 176.91 176.32 2g2k h VAL 40 N 0.42 1.28 -0.10 -5.77 -1.51 -1.92 -1.29 116.25 107.36 2g2k h VAL 40 Ca 0.11 -1.63 -0.00 0.00 -1.23 0.00 0.00 66.70 63.95 2g2k h VAL 40 Cb 0.26 1.50 -0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2g2k h VAL 40 CO -0.00 0.53 0.05 -0.78 -1.23 0.00 0.00 177.57 176.14 2g2k h ASP 41 N 0.68 0.12 -0.08 4.19 3.58 -1.83 0.47 116.42 123.55 2g2k h ASP 41 Ca 0.04 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2g2k h ASP 41 Cb 1.03 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.05 2g2k h ASP 41 CO 0.10 0.20 -0.01 0.58 -2.88 0.00 0.00 179.24 177.23 2g2k h VAL 42 N 0.04 1.27 -0.39 2.25 2.07 -1.24 -2.62 116.25 117.63 2g2k h VAL 42 Ca 0.03 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 2g2k h VAL 42 Cb 0.10 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2g2k h VAL 42 CO -0.00 0.24 0.04 0.00 0.02 0.00 0.00 177.57 177.87 2g2k h ALA 43 N 0.70 1.35 -0.54 1.67 0.00 -1.18 -2.37 119.26 118.89 2g2k h ALA 43 Ca 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2g2k h ALA 43 Cb 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2g2k h ALA 43 CO 0.01 0.45 0.19 -0.22 0.00 0.00 0.00 179.25 179.68 2g2k h LYS 44 N 0.57 0.79 0.00 0.00 3.64 0.08 1.79 116.57 123.45 2g2k h LYS 44 Ca 0.13 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2g2k h LYS 44 Cb 0.30 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2g2k h LYS 44 CO 0.01 0.67 -0.57 0.00 -2.27 0.00 0.00 179.45 177.28 2g2k h ALA 45 N 1.43 1.01 -0.02 5.00 0.00 -1.05 -3.11 119.26 122.52 2g2k h ALA 45 Ca 0.18 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2g2k h ALA 45 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2g2k h ALA 45 CO -0.01 0.72 -0.09 1.47 0.00 0.00 0.00 179.25 181.34 2g2k n LEU 46 N -3.79 2.20 0.00 0.00 -0.00 -0.84 -5.06 117.00 109.51 2g2k n LEU 46 Ca -0.01 -0.94 0.00 0.00 -0.00 0.00 0.00 56.01 55.06 2g2k n LEU 46 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 2g2k n LEU 46 CO 0.41 0.40 0.00 -3.20 -0.00 0.00 0.00 177.39 175.00 2g2k n ASN 47 N 0.67 0.00 -4.70 1.45 5.15 0.60 -5.05 115.26 113.37 2g2k n ASN 47 Ca 0.09 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.83 2g2k n ASN 47 Cb 0.40 0.00 0.10 0.00 -0.53 0.00 0.00 39.78 39.75 2g2k n ASN 47 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2g2k s ARG 48 N -0.66 1.79 0.11 1.20 0.52 -1.24 -3.46 118.95 117.21 2g2k s ARG 48 Ca 0.00 -0.80 -0.30 0.00 -0.52 0.00 0.00 55.73 54.11 2g2k s ARG 48 Cb 0.00 -2.26 -0.07 0.00 0.52 0.00 0.00 34.95 33.14 2g2k s ARG 48 CO 0.00 -1.41 1.23 -1.25 0.02 0.00 0.00 175.30 173.89 2g2k s PRO 49 N -5.20 4.43 0.00 3.54 0.04 -1.26 -3.96 135.00 132.59 2g2k s PRO 49 Ca 0.65 1.86 0.19 0.00 0.04 0.00 0.00 61.00 63.74 2g2k s PRO 49 Cb -0.07 -3.29 1.15 0.00 0.04 0.00 0.00 34.50 32.33 2g2k s PRO 49 CO 0.44 -0.23 1.56 -0.35 0.04 0.00 0.00 177.00 178.47 2g2k n PRO 50 N 3.42 0.69 0.29 0.56 -0.04 -1.26 -3.56 135.00 135.10 2g2k n PRO 50 Ca 0.08 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.72 2g2k n PRO 50 Cb 0.45 -1.44 0.95 0.00 -0.04 0.00 0.00 33.50 33.42 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 0.15 0.00 0.52 2.02 -1.96 0.36 112.91 114.00 2g2k h THR 51 Ca 0.00 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.97 2g2k h THR 51 Cb 0.00 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2g2k h THR 51 CO 0.00 0.00 -1.59 0.00 0.37 0.00 0.00 175.52 174.30 2g2k n TYR 52 N -3.24 0.22 1.29 3.16 4.19 -1.23 -4.40 117.16 117.15 2g2k n TYR 52 Ca -0.01 0.10 0.12 0.00 3.31 0.00 0.00 57.90 61.41 2g2k n TYR 52 Cb 0.27 -0.80 0.64 0.00 0.49 0.00 0.00 39.34 39.95 2g2k n TYR 52 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 2g2k n PRO 53 N -4.39 0.54 0.15 2.98 -0.04 -1.16 -3.51 135.00 129.58 2g2k n PRO 53 Ca -0.32 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.27 2g2k n PRO 53 Cb 0.66 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 33.10 2g2k n PRO 53 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2g2k n THR 54 N -1.14 1.00 -0.04 0.52 5.66 0.13 -1.76 114.28 118.65 2g2k n THR 54 Ca 0.14 0.72 -0.15 0.00 -3.05 0.00 0.00 64.05 61.72 2g2k n THR 54 Cb 0.13 -1.72 -0.09 0.00 -1.55 0.00 0.00 70.33 67.10 2g2k n THR 54 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2g2k h LYS 55 N 0.00 0.37 0.09 1.09 1.79 -1.83 -1.95 116.57 116.13 2g2k h LYS 55 Ca 0.00 -0.28 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2g2k h LYS 55 Cb 0.15 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2g2k h LYS 55 CO 0.00 0.91 -0.04 1.88 -1.08 0.00 0.00 179.45 181.11 2g2k h TYR 56 N -0.10 -0.11 -0.79 -1.35 0.05 -1.64 -1.99 116.97 111.05 2g2k h TYR 56 Ca -0.01 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.83 2g2k h TYR 56 Cb 0.95 0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.67 2g2k h TYR 56 CO 0.12 0.16 0.52 0.35 -1.05 0.00 0.00 178.16 178.26 2g2k h PHE 57 N -0.38 0.86 -0.41 4.88 3.57 -1.64 0.16 116.94 123.98 2g2k h PHE 57 Ca -0.01 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2g2k h PHE 57 Cb 0.32 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2g2k h PHE 57 CO 0.01 0.45 0.06 0.78 -2.23 0.00 0.00 178.31 177.38 2g2k h GLY 58 N 0.84 0.67 0.86 2.40 0.00 -1.08 -2.19 103.07 104.56 2g2k h GLY 58 Ca 0.34 -0.38 0.08 0.00 0.00 0.00 0.00 47.33 47.38 2g2k h GLY 58 CO -0.12 0.35 0.53 0.00 0.00 0.00 0.00 176.54 177.30 2g2k h GLU 60 N 0.81 0.07 -0.19 0.00 4.57 -1.33 -2.58 114.58 115.94 2g2k h GLU 60 Ca 0.37 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 2g2k h GLU 60 Cb 0.36 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2g2k h GLU 60 CO -0.14 0.28 0.00 1.47 -1.18 0.00 0.00 179.01 179.43 2g2k n LEU 61 N -4.93 0.38 0.00 1.64 -0.00 -0.88 -4.82 117.00 108.38 2g2k n LEU 61 Ca -0.07 -0.19 0.00 0.00 -0.00 0.00 0.00 56.01 55.75 2g2k n LEU 61 Cb 0.14 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 2g2k n LEU 61 CO 0.34 0.09 0.00 0.61 -0.00 0.00 0.00 177.39 178.43 2g2k n GLY 62 N 0.48 0.35 3.61 1.47 0.00 -0.56 -4.96 105.19 105.57 2g2k n GLY 62 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2g2k n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g2k s ALA 63 N -1.93 3.12 0.00 4.61 0.00 0.07 -4.94 121.76 122.69 2g2k s ALA 63 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.07 2g2k s ALA 63 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.69 2g2k s ALA 63 CO 0.00 0.14 0.00 0.94 0.00 0.00 0.00 175.76 176.84 2g2k n GLN 64 N -0.89 0.00 -4.03 0.00 7.27 -1.21 -2.84 117.38 115.68 2g2k n GLN 64 Ca -0.05 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.92 2g2k n GLN 64 Cb 0.61 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.21 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 3.33 0.00 -0.13 1.69 -4.23 -1.26 -3.93 115.64 111.11 2g2k s THR 65 Ca 0.00 -1.50 -0.12 0.00 -1.18 0.00 0.00 61.69 58.89 2g2k s THR 65 Cb 0.00 -2.28 0.03 0.00 1.34 0.00 0.00 72.50 71.59 2g2k s THR 65 CO 0.00 0.00 0.35 -1.58 -0.54 0.00 0.00 174.62 172.85 2g2k s GLN 66 N -3.96 0.40 0.05 3.99 -0.44 0.62 -4.46 119.66 115.86 2g2k s GLN 66 Ca 0.25 0.49 0.06 0.00 -2.50 0.00 0.00 55.36 53.67 2g2k s GLN 66 Cb 0.00 0.18 -0.03 0.00 -1.64 0.00 0.00 33.01 31.53 2g2k s GLN 66 CO 0.10 -0.05 -0.18 -0.06 0.50 0.00 0.00 175.29 175.60 2g2k s PHE 67 N 0.24 1.58 -0.19 1.67 0.08 -1.26 -0.68 117.98 119.42 2g2k s PHE 67 Ca -0.00 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.68 2g2k s PHE 67 Cb -0.03 -0.92 0.03 0.00 -0.57 0.00 0.00 43.02 41.53 2g2k s PHE 67 CO -0.00 0.09 -0.16 0.34 -0.10 0.00 0.00 175.22 175.39 2g2k s ASP 68 N -1.30 3.33 -0.09 1.36 -1.08 -0.11 -4.96 116.67 113.83 2g2k s ASP 68 Ca 0.05 -0.79 -0.04 0.00 -0.52 0.00 0.00 52.55 51.25 2g2k s ASP 68 Cb -0.09 -1.41 -0.01 0.00 -1.46 0.00 0.00 42.92 39.95 2g2k s ASP 68 CO 0.02 -0.06 -0.07 0.58 0.52 0.00 0.00 175.17 176.15 2g2k h VAL 69 N 6.17 0.00 0.00 1.11 2.07 -1.95 0.67 116.25 124.32 2g2k h VAL 69 Ca -0.37 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.45 2g2k h VAL 69 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2g2k h VAL 69 CO 0.57 0.00 0.13 0.11 0.02 0.00 0.00 177.57 178.39 2g2k h LYS 70 N -0.69 0.00 0.00 1.57 1.57 -1.99 -0.74 116.57 116.30 2g2k h LYS 70 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 2g2k h LYS 70 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2g2k h LYS 70 CO 0.00 0.00 -1.95 -1.71 -0.57 0.00 0.00 179.45 175.22 2g2k n ASN 71 N -2.23 1.50 -0.52 0.86 5.15 -1.25 -4.99 115.26 113.78 2g2k n ASN 71 Ca -0.01 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.90 2g2k n ASN 71 Cb 0.16 0.93 -0.03 0.00 -0.53 0.00 0.00 39.78 40.31 2g2k n ASN 71 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2g2k n ASP 72 N -2.48 -4.26 -4.38 1.20 8.00 0.23 -4.99 116.55 109.88 2g2k n ASP 72 Ca -0.21 0.17 -0.33 0.00 0.71 0.00 0.00 54.79 55.13 2g2k n ASP 72 Cb 0.91 -2.35 -0.14 0.00 -0.02 0.00 0.00 41.12 39.51 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 -2.24 3.40 -0.15 -1.24 0.52 -1.06 -4.93 118.95 113.25 2g2k s ARG 73 Ca 0.00 -0.67 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 2g2k s ARG 73 Cb 0.00 -2.65 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 2g2k s ARG 73 CO 0.00 0.21 -0.07 0.71 0.02 0.00 0.00 175.30 176.17 2g2k s TYR 74 N 0.37 2.94 0.06 -0.53 2.02 -1.26 -0.94 117.35 120.01 2g2k s TYR 74 Ca -0.10 -0.48 0.05 0.00 -0.37 0.00 0.00 57.07 56.17 2g2k s TYR 74 Cb -0.16 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 2g2k s TYR 74 CO 0.05 -0.15 -0.14 0.42 -1.57 0.00 0.00 175.55 174.17 2g2k s ILE 75 N 0.46 1.09 -0.06 2.71 -1.09 0.14 -2.97 121.20 121.48 2g2k s ILE 75 Ca -0.06 -1.25 0.02 0.00 -2.23 0.00 0.00 60.65 57.14 2g2k s ILE 75 Cb -0.15 -1.04 -0.03 0.00 -1.58 0.00 0.00 42.46 39.66 2g2k s ILE 75 CO 0.04 -0.19 -0.12 0.68 -1.23 0.00 0.00 174.94 174.12 2g2k s VAL 76 N -1.20 3.30 0.25 2.92 -7.23 0.21 0.23 120.40 118.88 2g2k s VAL 76 Ca -0.02 -0.63 -0.30 0.00 -1.81 0.00 0.00 61.98 59.23 2g2k s VAL 76 Cb -0.10 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.43 2g2k s VAL 76 CO 0.02 0.59 1.28 0.54 -0.31 0.00 0.00 175.10 177.22 2g2k s ASN 77 N -0.70 6.90 0.00 4.85 4.22 -1.25 -0.18 114.94 128.78 2g2k s ASN 77 Ca 0.11 2.48 0.00 0.00 -2.14 0.00 0.00 52.86 53.31 2g2k s ASN 77 Cb -0.11 -2.63 0.00 0.00 1.28 0.00 0.00 41.25 39.79 2g2k s ASN 77 CO 0.01 -0.48 0.00 0.61 -2.04 0.00 0.00 177.10 175.20 2g2k n GLY 78 N 1.69 2.62 3.64 0.45 0.00 -0.99 -3.29 105.19 109.31 2g2k n GLY 78 Ca 0.03 -1.35 -0.40 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 0.00 6.49 -0.13 1.61 1.04 -1.25 -2.64 113.70 118.82 2g2k s SER 79 Ca 0.00 0.59 -0.04 0.00 0.48 0.00 0.00 55.95 56.98 2g2k s SER 79 Cb 0.00 -2.29 0.06 0.00 0.10 0.00 0.00 66.02 63.89 2g2k s SER 79 CO 0.00 -0.24 0.13 -1.38 0.98 0.00 0.00 173.24 172.73 2g2k s HIS 80 N 2.03 -0.04 0.84 5.02 -3.43 -1.26 -5.02 115.29 113.44 2g2k s HIS 80 Ca 0.22 0.17 -0.13 0.00 -0.80 0.00 0.00 55.06 54.53 2g2k s HIS 80 Cb -0.15 -0.46 0.09 0.00 -1.43 0.00 0.00 32.58 30.62 2g2k s HIS 80 CO 0.09 -0.40 1.08 -1.91 -2.00 0.00 0.00 174.74 171.60 2g2k n GLU 81 N 5.30 -0.01 -0.29 -0.38 2.13 -1.26 -4.79 120.64 121.35 2g2k n GLU 81 Ca -0.05 0.07 0.16 0.00 0.66 0.00 0.00 57.16 58.00 2g2k n GLU 81 Cb 0.50 -2.33 0.43 0.00 0.27 0.00 0.00 31.44 30.30 2g2k n GLU 81 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2g2k h ALA 82 N -1.18 1.97 -0.62 4.31 0.00 -1.87 0.25 119.26 122.12 2g2k h ALA 82 Ca -0.45 0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.60 2g2k h ALA 82 Cb 1.29 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2g2k h ALA 82 CO 0.43 -0.28 0.42 -0.97 0.00 0.00 0.00 179.25 178.85 2g2k h ASN 83 N 0.58 0.35 -0.75 0.00 -1.24 -1.94 -0.01 115.58 112.56 2g2k h ASN 83 Ca 0.50 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.48 2g2k h ASN 83 Cb 1.01 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.96 2g2k h ASN 83 CO -0.25 0.20 0.29 0.50 -1.29 0.00 0.00 177.43 176.89 2g2k h LYS 84 N 0.38 1.14 -0.30 6.67 1.63 -0.80 -1.79 116.57 123.52 2g2k h LYS 84 Ca 0.29 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2g2k h LYS 84 Cb 0.62 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2g2k h LYS 84 CO -0.08 0.94 0.18 -0.07 -3.45 0.00 0.00 179.45 176.96 2g2k h LEU 85 N 1.11 0.35 -1.10 5.20 -0.00 -0.99 -1.21 115.31 118.66 2g2k h LEU 85 Ca 0.25 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 58.08 2g2k h LEU 85 Cb 0.23 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 40.78 2g2k h LEU 85 CO -0.02 0.27 0.22 1.56 -0.00 0.00 0.00 178.44 180.47 2g2k h GLN 86 N 0.40 0.86 -0.35 1.13 7.50 -1.13 0.12 115.11 123.65 2g2k h GLN 86 Ca 0.11 -0.14 0.01 0.00 0.50 0.00 0.00 58.65 59.13 2g2k h GLN 86 Cb -0.01 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 27.35 2g2k h GLN 86 CO -0.02 0.71 0.21 0.22 -1.50 0.00 0.00 178.83 178.45 2g2k h ASP 87 N 0.85 0.34 0.51 1.46 1.82 -1.11 -1.87 116.42 118.43 2g2k h ASP 87 Ca 0.20 -0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.71 2g2k h ASP 87 Cb 0.18 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 2g2k h ASP 87 CO -0.02 0.25 -0.58 -0.03 -1.61 0.00 0.00 179.24 177.25 2g2k h MET 88 N 0.43 0.07 -0.59 0.28 4.05 -1.40 -1.97 114.93 115.79 2g2k h MET 88 Ca 0.13 -0.05 0.17 0.00 -0.28 0.00 0.00 59.70 59.68 2g2k h MET 88 Cb -0.01 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 2g2k h MET 88 CO -0.06 0.63 0.54 1.25 0.23 0.00 0.00 176.91 179.51 2g2k h LEU 89 N 0.05 0.00 -1.41 3.39 5.85 0.07 0.44 115.31 123.70 2g2k h LEU 89 Ca -0.01 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.84 2g2k h LEU 89 Cb 1.04 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 2g2k h LEU 89 CO 0.08 0.00 0.52 -0.78 -0.34 0.00 0.00 178.44 177.92 2g2k h ASP 90 N 0.00 0.57 -0.16 1.25 3.58 -1.03 0.36 116.42 120.99 2g2k h ASP 90 Ca 0.28 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 2g2k h ASP 90 Cb 1.36 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 2g2k h ASP 90 CO -0.00 0.32 0.05 1.23 -2.88 0.00 0.00 179.24 177.95 2g2k h GLY 91 N 0.62 0.36 1.18 -0.78 0.00 -0.30 -1.55 103.07 102.61 2g2k h GLY 91 Ca 0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 2g2k h GLY 91 CO -0.15 0.16 0.26 -2.75 0.00 0.00 0.00 176.54 174.07 2g2k h PHE 92 N 0.33 1.05 -0.87 5.60 3.04 -0.37 -2.42 116.94 123.30 2g2k h PHE 92 Ca 0.08 -0.08 0.21 0.00 3.98 0.00 0.00 57.97 62.16 2g2k h PHE 92 Cb 0.14 -0.32 -0.06 0.00 2.56 0.00 0.00 35.95 38.28 2g2k h PHE 92 CO 0.00 0.81 0.59 0.82 -2.02 0.00 0.00 178.31 178.51 2g2k h ILE 93 N 1.01 0.66 -0.32 1.41 1.08 -1.06 0.37 117.51 120.66 2g2k h ILE 93 Ca 0.23 -0.10 0.09 0.00 -0.39 0.00 0.00 64.86 64.70 2g2k h ILE 93 Cb 0.21 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 2g2k h ILE 93 CO -0.02 0.05 0.31 0.50 -0.69 0.00 0.00 178.15 178.31 2g2k h LYS 94 N 0.30 0.00 0.00 2.37 3.64 -1.50 -0.72 116.57 120.66 2g2k h LYS 94 Ca 0.44 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 2g2k h LYS 94 Cb 1.26 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2g2k h LYS 94 CO -0.13 0.00 -0.03 0.87 -2.27 0.00 0.00 179.45 177.89 2g2k h LYS 95 N 0.00 0.00 0.00 1.90 1.79 -0.41 -3.20 116.57 116.64 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 0.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2g2k h LYS 95 CO -0.00 0.03 -1.12 1.97 -1.08 0.00 0.00 179.45 179.25 2g2k n PHE 96 N -4.47 0.00 -0.09 -1.35 1.16 -0.40 -4.68 117.46 107.63 2g2k n PHE 96 Ca -0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.46 2g2k n PHE 96 Cb 0.12 -0.09 -0.02 0.00 -1.61 0.00 0.00 39.48 37.88 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 1.10 0.00 1.97 -1.51 -1.22 -3.46 116.25 113.13 2g2k h VAL 97 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 2g2k h VAL 97 Cb 0.20 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 2g2k h VAL 97 CO 0.00 0.10 0.00 0.18 -1.23 0.00 0.00 177.57 176.62 2g2k n LEU 98 N -4.85 0.00 -4.87 4.19 7.99 -1.23 -4.82 117.00 113.41 2g2k n LEU 98 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.68 2g2k n LEU 98 Cb 0.04 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.32 2g2k n LEU 98 CO 0.34 0.00 0.48 0.00 -1.51 0.00 0.00 177.39 176.71 2g2k n PRO 100 N -1.47 0.07 -0.79 0.00 -0.04 -1.26 -1.42 135.00 130.09 2g2k n PRO 100 Ca 0.03 0.19 0.01 0.00 -0.04 0.00 0.00 63.50 63.69 2g2k n PRO 100 Cb 0.54 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.51 2g2k n PRO 100 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2g2k n GLU 101 N -1.43 0.01 0.00 0.54 0.00 -1.26 -4.88 120.64 113.62 2g2k n GLU 101 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 57.16 55.90 2g2k n GLU 101 Cb 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 31.44 31.25 2g2k n GLU 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2g2k h GLU 103 N 0.00 -0.11 -0.64 0.00 4.22 -1.53 -1.95 114.58 114.56 2g2k h GLU 103 Ca 0.00 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.51 2g2k h GLU 103 Cb 0.00 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 2g2k h GLU 103 CO 0.00 -0.08 -0.38 0.09 -2.18 0.00 0.00 179.01 176.47 2g2k n ASN 104 N -4.05 -0.68 -4.78 1.04 3.02 -1.26 -4.33 115.26 104.22 2g2k n ASN 104 Ca -0.01 1.37 -0.35 0.00 -0.03 0.00 0.00 54.58 55.56 2g2k n ASN 104 Cb 0.15 -0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 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 -4.80 3.55 0.22 3.52 0.04 -0.73 -4.98 135.00 131.83 2g2k s PRO 105 Ca -0.08 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 2g2k s PRO 105 Cb 0.07 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2g2k s PRO 105 CO 0.40 -0.67 1.29 -2.00 0.04 0.00 0.00 177.00 176.06 2g2k s GLU 106 N -3.21 4.40 0.15 4.56 -6.30 -1.26 -4.88 118.70 112.16 2g2k s GLU 106 Ca 0.70 2.05 -0.03 0.00 -2.50 0.00 0.00 54.97 55.19 2g2k s GLU 106 Cb -0.21 -3.18 -0.03 0.00 0.00 0.00 0.00 34.13 30.70 2g2k s GLU 106 CO 0.25 -0.21 0.12 0.95 0.02 0.00 0.00 175.26 176.39 2g2k s THR 107 N -0.12 0.08 -0.07 -1.70 -4.23 -1.26 -3.69 115.64 104.64 2g2k s THR 107 Ca 0.55 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 2g2k s THR 107 Cb -0.36 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 2g2k s THR 107 CO 0.40 -0.36 -0.14 -1.81 -0.54 0.00 0.00 174.62 172.17 2g2k s ASP 108 N -3.05 4.02 -0.20 3.99 1.01 0.11 -4.86 116.67 117.69 2g2k s ASP 108 Ca 0.25 -0.24 -0.04 0.00 0.71 0.00 0.00 52.55 53.23 2g2k s ASP 108 Cb 0.06 -1.08 -0.02 0.00 1.01 0.00 0.00 42.92 42.90 2g2k s ASP 108 CO 0.03 0.29 -0.04 -0.22 0.21 0.00 0.00 175.17 175.44 2g2k s LEU 109 N -0.40 3.02 -0.06 1.23 0.20 -1.26 0.16 118.68 121.58 2g2k s LEU 109 Ca 0.05 -0.30 0.04 0.00 0.69 0.00 0.00 54.13 54.61 2g2k s LEU 109 Cb -0.12 -1.76 -0.00 0.00 -0.43 0.00 0.00 46.19 43.88 2g2k s LEU 109 CO 0.02 0.04 -0.19 -1.38 -0.29 0.00 0.00 176.35 174.55 2g2k s HIS 110 N 1.11 1.97 -0.10 5.38 -3.43 0.15 -4.97 115.29 115.40 2g2k s HIS 110 Ca 0.02 -0.65 0.04 0.00 -0.80 0.00 0.00 55.06 53.66 2g2k s HIS 110 Cb -0.15 -1.33 0.00 0.00 -1.43 0.00 0.00 32.58 29.68 2g2k s HIS 110 CO 0.00 -0.24 -0.22 0.54 -2.00 0.00 0.00 174.74 172.81 2g2k s VAL 111 N 0.16 1.95 -0.23 -5.38 0.11 -1.26 -0.97 120.40 114.78 2g2k s VAL 111 Ca -0.08 -0.95 -0.07 0.00 -2.93 0.00 0.00 61.98 57.94 2g2k s VAL 111 Cb -0.14 -1.69 -0.03 0.00 -1.53 0.00 0.00 36.38 32.99 2g2k s VAL 111 CO 0.04 0.54 0.06 0.20 -3.33 0.00 0.00 175.10 172.61 2g2k s ASN 112 N 0.42 5.22 0.12 3.54 0.02 -0.26 -4.98 114.94 119.02 2g2k s ASN 112 Ca -0.18 -0.14 -0.10 0.00 -1.02 0.00 0.00 52.86 51.42 2g2k s ASN 112 Cb -0.18 -1.92 -0.10 0.00 0.02 0.00 0.00 41.25 39.07 2g2k s ASN 112 CO 0.08 0.02 1.34 1.55 0.02 0.00 0.00 177.10 180.11 2g2k h PRO 113 N 7.83 0.74 -0.81 -0.60 0.13 -1.96 0.55 132.00 137.87 2g2k h PRO 113 Ca -0.37 -0.58 0.01 0.00 -0.87 0.00 0.00 66.00 64.18 2g2k h PRO 113 Cb 1.18 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 2g2k h PRO 113 CO 0.60 1.20 0.54 0.87 -0.23 0.00 0.00 178.00 180.98 2g2k h LYS 114 N 0.51 1.06 -0.01 0.86 1.57 -1.96 -2.06 116.57 116.53 2g2k h LYS 114 Ca -0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2g2k h LYS 114 Cb 1.36 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2g2k h LYS 114 CO 0.15 0.70 -0.25 1.17 -0.57 0.00 0.00 179.45 180.65 2g2k n LYS 115 N -4.53 1.18 -3.92 3.15 4.81 -1.22 -4.95 118.16 112.68 2g2k n LYS 115 Ca 0.08 -0.81 -0.30 0.00 -0.87 0.00 0.00 58.31 56.42 2g2k n LYS 115 Cb 0.02 -1.48 0.02 0.00 0.02 0.00 0.00 35.03 33.61 2g2k n LYS 115 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2g2k n GLN 116 N -0.21 -5.30 -4.32 1.64 7.27 0.12 -4.96 117.38 111.62 2g2k n GLN 116 Ca 0.13 0.58 -0.17 0.00 0.07 0.00 0.00 57.00 57.61 2g2k n GLN 116 Cb 0.40 -5.43 -0.10 0.00 2.41 0.00 0.00 30.24 27.52 2g2k n GLN 116 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2g2k s THR 117 N -3.34 1.09 -0.04 1.69 -4.23 -0.83 -5.00 115.64 104.98 2g2k s THR 117 Ca 0.61 -2.04 -0.02 0.00 -1.18 0.00 0.00 61.69 59.06 2g2k s THR 117 Cb -0.31 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.30 2g2k s THR 117 CO 0.84 -0.39 0.08 -0.63 -0.54 0.00 0.00 174.62 173.98 2g2k s ILE 118 N -3.38 -0.09 0.18 2.99 1.01 -1.26 -1.10 121.20 119.55 2g2k s ILE 118 Ca 0.27 0.26 0.02 0.00 0.00 0.00 0.00 60.65 61.20 2g2k s ILE 118 Cb 0.05 -0.16 -0.05 0.00 0.01 0.00 0.00 42.46 42.31 2g2k s ILE 118 CO 0.08 0.11 -0.01 -0.83 0.00 0.00 0.00 174.94 174.29 2g2k s GLY 119 N 1.43 1.25 0.04 6.18 0.00 -0.14 -3.40 107.32 112.67 2g2k s GLY 119 Ca -0.05 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.07 2g2k s GLY 119 CO -0.04 -1.55 -0.04 0.54 0.00 0.00 0.00 173.10 172.01 2g2k s ASN 120 N -3.19 0.47 -0.16 1.64 4.22 -0.94 0.30 114.94 117.28 2g2k s ASN 120 Ca 0.24 -0.66 0.00 0.00 -2.14 0.00 0.00 52.86 50.30 2g2k s ASN 120 Cb 0.06 0.11 0.00 0.00 1.28 0.00 0.00 41.25 42.70 2g2k s ASN 120 CO 0.04 -0.37 -0.16 -0.44 -2.04 0.00 0.00 177.10 174.14 2g2k s SER 121 N -1.94 3.60 -0.08 3.54 0.01 0.43 0.16 113.70 119.42 2g2k s SER 121 Ca -0.07 -0.49 0.04 0.00 1.31 0.00 0.00 55.95 56.74 2g2k s SER 121 Cb -0.05 -1.55 -0.01 0.00 0.21 0.00 0.00 66.02 64.62 2g2k s SER 121 CO -0.03 0.07 -0.21 0.00 0.41 0.00 0.00 173.24 173.48 2g2k n LYS 123 N 3.07 2.67 0.00 0.00 2.85 -1.24 -3.67 118.16 121.84 2g2k n LYS 123 Ca -0.18 -3.26 0.00 0.00 -1.05 0.00 0.00 58.31 53.82 2g2k n LYS 123 Cb 0.52 -2.24 0.00 0.00 -0.65 0.00 0.00 35.03 32.67 2g2k n LYS 123 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2g2k n ALA 124 N -0.30 1.69 -1.13 0.58 0.00 -1.26 -4.89 120.51 115.19 2g2k n ALA 124 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2g2k n ALA 124 Cb 0.33 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 2.57 0.68 0.00 0.00 -1.24 -4.85 105.19 102.35 2g2k n GLY 126 Ca 0.00 0.00 0.51 0.00 0.00 0.00 0.00 46.02 46.53 2g2k n GLY 126 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2g2k h TYR 127 N 0.00 0.07 -0.38 1.61 5.03 -1.89 -3.42 116.97 117.98 2g2k h TYR 127 Ca 0.00 0.00 -0.31 0.00 2.58 0.00 0.00 58.73 61.00 2g2k h TYR 127 Cb 0.00 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.28 2g2k h TYR 127 CO 0.00 -0.04 0.12 2.89 -1.32 0.00 0.00 178.16 179.81 2g2k n ARG 128 N -4.05 0.00 0.00 1.82 1.85 -1.25 -4.30 116.66 110.73 2g2k n ARG 128 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.28 2g2k n ARG 128 Cb 1.94 -0.56 0.00 0.00 -1.05 0.00 0.00 32.46 32.78 2g2k n ARG 128 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2g2k n GLY 129 N 0.95 -0.86 3.41 2.89 0.00 0.41 -4.84 105.19 107.15 2g2k n GLY 129 Ca 0.09 0.32 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 1.48 0.37 1.61 -1.94 -1.26 -2.22 119.30 117.34 2g2k s MET 130 Ca 0.00 -1.43 -0.27 0.00 -1.71 0.00 0.00 55.69 52.28 2g2k s MET 130 Cb 0.00 -1.88 -0.09 0.00 2.01 0.00 0.00 34.83 34.87 2g2k s MET 130 CO 0.00 0.43 1.23 -1.17 -0.01 0.00 0.00 175.02 175.49 2g2k s LEU 131 N -2.38 4.30 0.00 -0.03 2.96 -1.22 -4.62 118.68 117.69 2g2k s LEU 131 Ca 0.18 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 2g2k s LEU 131 Cb -0.09 -3.85 0.00 0.00 0.50 0.00 0.00 46.19 42.75 2g2k s LEU 131 CO 0.08 -0.62 0.25 0.47 -1.32 0.00 0.00 176.35 175.21 2g2k n ASP 132 N 0.41 0.00 0.00 3.68 8.00 -1.26 -4.99 116.55 122.39 2g2k n ASP 132 Ca 0.02 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2g2k n ASP 132 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2g2k n ASP 132 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2g2k n THR 133 N -0.46 0.00 -3.90 -3.53 5.66 -1.26 -5.15 114.28 105.64 2g2k n THR 133 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2g2k n THR 133 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2g2k n THR 133 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2g2k n HIS 134 N 0.00 -0.88 -0.97 1.09 8.25 -1.26 -4.48 115.22 116.97 2g2k n HIS 134 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2g2k n HIS 134 Cb 0.00 0.16 0.05 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.16 -3.63 -2.02 4.41 8.25 -1.26 -4.56 115.22 116.25 2g2k n HIS 135 Ca 0.00 0.19 -0.27 0.00 -0.26 0.00 0.00 57.72 57.39 2g2k n HIS 135 Cb 0.00 -1.45 -0.07 0.00 1.12 0.00 0.00 29.99 29.59 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 -2.21 2.36 -0.14 -0.41 1.02 -1.26 -4.66 119.74 114.43 2g2k s LYS 136 Ca 0.41 -1.00 -0.16 0.00 0.02 0.00 0.00 55.97 55.23 2g2k s LYS 136 Cb -0.10 -5.20 -0.14 0.00 -0.52 0.00 0.00 37.83 31.87 2g2k s LYS 136 CO 0.76 -4.09 0.32 1.25 -0.92 0.00 0.00 175.35 172.67 2g2k h LEU 137 N 18.27 0.00 -0.80 3.17 5.85 -1.80 -2.68 115.31 137.32 2g2k h LEU 137 Ca 0.18 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.48 2g2k h LEU 137 Cb 0.95 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 2g2k h LEU 137 CO 1.20 0.90 0.48 0.00 -0.34 0.00 0.00 178.44 180.69 2g2k h THR 139 N 0.88 1.31 -0.22 0.00 2.02 -1.94 0.66 112.91 115.61 2g2k h THR 139 Ca 0.35 -1.23 0.03 0.00 0.77 0.00 0.00 66.41 66.33 2g2k h THR 139 Cb 0.18 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 2g2k h THR 139 CO -0.18 0.38 0.02 0.15 0.37 0.00 0.00 175.52 176.27 2g2k h PHE 140 N 0.23 0.04 -0.31 3.16 3.57 -1.08 1.02 116.94 123.57 2g2k h PHE 140 Ca 0.05 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 2g2k h PHE 140 Cb 0.65 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 2g2k h PHE 140 CO 0.07 -0.00 -0.31 -0.84 -2.23 0.00 0.00 178.31 175.00 2g2k h ILE 141 N 0.10 1.30 0.00 1.41 3.07 -1.20 0.86 117.51 123.05 2g2k h ILE 141 Ca 0.10 -1.47 0.00 0.00 1.55 0.00 0.00 64.86 65.04 2g2k h ILE 141 Cb 0.12 1.55 0.00 0.00 -0.27 0.00 0.00 36.82 38.21 2g2k h ILE 141 CO -0.15 0.48 0.00 -0.11 -1.05 0.00 0.00 178.15 177.31 2g2k n LEU 142 N -4.23 0.44 -0.00 0.16 7.94 0.23 -2.20 117.00 119.33 2g2k n LEU 142 Ca -0.04 0.62 0.06 0.00 -1.11 0.00 0.00 56.01 55.54 2g2k n LEU 142 Cb 0.49 -0.57 -0.07 0.00 0.53 0.00 0.00 43.42 43.80 2g2k n LEU 142 CO 0.46 -0.51 -0.02 1.17 -1.11 0.00 0.00 177.39 177.38 2g2k n LYS 143 N -1.99 3.13 -0.58 1.96 4.81 0.35 -5.00 118.16 120.83 2g2k n LYS 143 Ca 0.02 -0.01 0.08 0.00 -0.87 0.00 0.00 58.31 57.53 2g2k n LYS 143 Cb 0.18 -1.05 -0.02 0.00 0.02 0.00 0.00 35.03 34.16 2g2k n LYS 143 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2g2k n ASN 144 N -1.26 -3.44 -4.60 3.14 0.23 0.26 -4.31 115.26 105.27 2g2k n ASN 144 Ca 0.02 0.23 -0.43 0.00 -0.53 0.00 0.00 54.58 53.87 2g2k n ASN 144 Cb 0.18 -2.06 -0.02 0.00 -2.08 0.00 0.00 39.78 35.80 2g2k n ASN 144 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2g2k s PRO 145 N -1.50 3.59 0.97 -0.53 0.04 -1.26 -4.93 135.00 131.37 2g2k s PRO 145 Ca 0.00 1.06 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 2g2k s PRO 145 Cb 0.00 -4.03 0.17 0.00 0.04 0.00 0.00 34.50 30.68 2g2k s PRO 145 CO 0.00 -1.54 1.13 -1.25 0.04 0.00 0.00 177.00 175.38 2g2k s PRO 146 N 4.93 0.67 -0.86 0.56 0.04 -1.26 -3.63 135.00 135.44 2g2k s PRO 146 Ca 0.63 0.27 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 2g2k s PRO 146 Cb -0.15 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 32.66 2g2k s PRO 146 CO 0.32 -2.51 0.25 -1.91 0.04 0.00 0.00 177.00 173.18 2g2k n GLU 147 N -3.98 -2.58 0.00 4.56 4.07 -1.26 -4.06 120.64 117.39 2g2k n GLU 147 Ca 0.07 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.42 2g2k n GLU 147 Cb 0.59 -4.84 0.00 0.00 -0.06 0.00 0.00 31.44 27.13 2g2k n GLU 147 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2g2k n ASN 148 N -1.94 0.00 -3.74 4.31 2.85 -1.24 -4.61 115.26 110.89 2g2k n ASN 148 Ca -0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.44 2g2k n ASN 148 Cb 0.52 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.53 2g2k n ASN 148 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2g2k s SER 149 N -4.00 -0.16 0.30 1.20 0.15 -1.26 -4.85 113.70 105.08 2g2k s SER 149 Ca 0.00 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2g2k s SER 149 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2g2k s SER 149 CO 0.00 -0.85 0.39 0.47 1.20 0.00 0.00 173.24 174.45 2g2k n ASP 150 N -0.49 -1.06 -3.97 5.45 8.00 -1.26 -5.17 116.55 118.05 2g2k n ASP 150 Ca -0.06 -2.68 -0.15 0.00 0.71 0.00 0.00 54.79 52.60 2g2k n ASP 150 Cb 0.61 2.04 -0.14 0.00 -0.02 0.00 0.00 41.12 43.61 2g2k n ASP 150 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2g2k s SER 151 N -2.89 0.64 0.00 -2.24 0.15 -1.26 -4.90 113.70 103.20 2g2k s SER 151 Ca 0.27 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2g2k s SER 151 Cb -0.00 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 2g2k s SER 151 CO 0.19 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2g2k n GLY 152 N 2.75 2.23 3.31 9.45 0.00 -1.26 -5.13 105.19 116.54 2g2k n GLY 152 Ca -0.14 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.38 -0.04 2.61 -2.24 -1.26 -4.92 114.28 108.80 2g2k n THR 153 Ca 0.00 -0.33 -0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2g2k n THR 153 Cb 0.00 -0.45 -0.13 0.00 -2.10 0.00 0.00 70.33 67.65 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 2.11 -0.76 5.01 3.38 0.00 -1.26 -4.99 105.19 108.67 2g2k n GLY 154 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.34 0.00 0.00 1.61 4.76 -1.26 -5.30 118.16 115.62 2g2k n LYS 155 Ca -0.15 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.36 2g2k n LYS 155 Cb 0.74 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.99 2g2k n LYS 155 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20