#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kel s GLN 2 N 0.00 4.57 -0.27 2.12 0.74 -0.11 -1.68 119.66 125.03 3kel s GLN 2 Ca 0.00 1.22 -0.06 0.00 0.05 0.00 0.00 55.36 56.58 3kel s GLN 2 Cb 0.00 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.73 3kel s GLN 2 CO 0.00 0.22 0.03 0.42 -0.55 0.00 0.00 175.29 175.42 3kel s ILE 3 N 0.09 3.73 -0.05 -2.34 1.01 -1.26 -0.75 121.20 121.63 3kel s ILE 3 Ca 0.43 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.43 3kel s ILE 3 Cb -0.21 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 3kel s ILE 3 CO 0.26 0.19 -0.01 -0.76 0.00 0.00 0.00 174.94 174.62 3kel s LEU 4 N 1.48 3.48 -0.15 2.97 1.43 -0.09 -0.24 118.68 127.57 3kel s LEU 4 Ca 0.03 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3kel s LEU 4 Cb -0.16 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3kel s LEU 4 CO 0.00 0.33 -0.11 -0.76 0.23 0.00 0.00 176.35 176.05 3kel s LEU 5 N -1.16 2.81 0.60 1.79 1.43 -0.35 -0.62 118.68 123.18 3kel s LEU 5 Ca 0.16 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 3kel s LEU 5 Cb -0.11 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3kel s LEU 5 CO 0.06 0.14 1.09 0.00 0.23 0.00 0.00 176.35 177.86 3kel s ALA 6 N 0.53 2.63 -0.19 4.21 0.00 -0.39 -1.04 121.76 127.52 3kel s ALA 6 Ca -0.07 0.54 -0.08 0.00 0.00 0.00 0.00 51.96 52.34 3kel s ALA 6 Cb -0.15 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.75 3kel s ALA 6 CO 0.04 -0.95 0.42 1.21 0.00 0.00 0.00 175.76 176.48 3kel s ASN 7 N -2.48 -0.42 0.86 0.00 3.84 -1.26 -4.15 114.94 111.32 3kel s ASN 7 Ca 0.67 0.95 -0.12 0.00 0.21 0.00 0.00 52.86 54.57 3kel s ASN 7 Cb -0.19 1.03 0.10 0.00 -0.55 0.00 0.00 41.25 41.64 3kel s ASN 7 CO 0.36 -0.21 1.10 -2.16 -2.79 0.00 0.00 177.10 173.40 3kel s PRO 8 N 1.91 1.60 0.20 0.43 0.04 -1.26 -4.16 135.00 133.75 3kel s PRO 8 Ca -0.06 0.63 -0.18 0.00 0.04 0.00 0.00 61.00 61.44 3kel s PRO 8 Cb -0.10 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.61 3kel s PRO 8 CO -0.13 -1.96 0.53 -0.98 0.04 0.00 0.00 177.00 174.50 3kel s ARG 9 N -5.10 1.40 2.97 4.56 1.70 -1.26 -4.60 118.95 118.61 3kel s ARG 9 Ca 0.62 -0.87 0.00 0.00 -0.47 0.00 0.00 55.73 55.01 3kel s ARG 9 Cb -0.16 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 3kel s ARG 9 CO 0.55 -0.59 0.00 0.41 -1.08 0.00 0.00 175.30 174.59 3kel n GLY 10 N -0.35 0.10 2.98 3.88 0.00 0.04 -4.91 105.19 106.94 3kel n GLY 10 Ca -0.10 -0.95 -0.49 0.00 0.00 0.00 0.00 46.02 44.48 3kel n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kel n PHE 11 N 0.00 0.44 -3.50 1.61 3.01 -1.22 -3.92 117.46 113.88 3kel n PHE 11 Ca 0.00 0.90 -0.23 0.00 1.01 0.00 0.00 57.45 59.13 3kel n PHE 11 Cb 0.00 -1.77 0.02 0.00 -0.01 0.00 0.00 39.48 37.72 3kel n PHE 11 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kel h ALA 13 N 0.53 0.86 -0.32 0.00 0.00 -1.94 -2.66 119.26 115.73 3kel h ALA 13 Ca -0.34 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 3kel h ALA 13 Cb 1.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kel h ALA 13 CO 0.50 0.64 -0.05 0.78 0.00 0.00 0.00 179.25 181.12 3kel h GLY 14 N 0.95 0.66 0.92 0.00 0.00 -1.94 -2.45 103.07 101.21 3kel h GLY 14 Ca 0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 3kel h GLY 14 CO 0.05 0.48 0.11 -2.08 0.00 0.00 0.00 176.54 175.10 3kel h VAL 15 N 0.39 1.21 -0.71 4.60 2.07 -1.86 -0.51 116.25 121.45 3kel h VAL 15 Ca 0.09 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.95 3kel h VAL 15 Cb 0.54 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3kel h VAL 15 CO 0.03 0.24 0.42 -0.78 0.02 0.00 0.00 177.57 177.50 3kel h ASP 16 N 0.44 0.66 -0.01 0.57 -0.00 -1.47 -0.79 116.42 115.82 3kel h ASP 16 Ca 0.12 0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.16 3kel h ASP 16 Cb 0.27 -0.12 -0.00 0.00 -0.00 0.00 0.00 39.33 39.47 3kel h ASP 16 CO -0.00 0.44 0.00 -0.09 -0.00 0.00 0.00 179.24 179.59 3kel h ARG 17 N 0.80 0.01 -0.29 0.28 2.43 -1.27 -2.17 114.38 114.17 3kel h ARG 17 Ca 0.30 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.52 3kel h ARG 17 Cb 0.11 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3kel h ARG 17 CO -0.15 0.31 -0.02 0.00 -1.51 0.00 0.00 179.97 178.60 3kel h ALA 18 N 0.70 0.24 -0.21 2.80 0.00 -0.75 0.30 119.26 122.34 3kel h ALA 18 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kel h ALA 18 Cb 0.31 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3kel h ALA 18 CO 0.00 -0.43 0.14 0.82 0.00 0.00 0.00 179.25 179.78 3kel h ILE 19 N 0.06 1.05 -0.07 0.00 1.08 -1.19 -2.24 117.51 116.20 3kel h ILE 19 Ca 0.14 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 3kel h ILE 19 Cb 0.20 0.74 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 3kel h ILE 19 CO -0.26 0.05 -0.01 0.28 -0.69 0.00 0.00 178.15 177.53 3kel h SER 20 N 0.28 0.08 -0.28 1.72 0.02 -0.91 -0.79 113.55 113.67 3kel h SER 20 Ca 0.08 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3kel h SER 20 Cb -0.03 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3kel h SER 20 CO -0.02 0.11 0.10 0.40 -1.14 0.00 0.00 176.83 176.28 3kel h ILE 21 N 0.10 1.18 0.06 3.27 2.04 -0.35 0.93 117.51 124.74 3kel h ILE 21 Ca 0.02 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 3kel h ILE 21 Cb 0.08 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3kel h ILE 21 CO 0.00 0.19 -0.03 0.58 0.00 0.00 0.00 178.15 178.90 3kel h VAL 22 N 0.30 1.13 -0.38 1.67 2.07 -1.09 -1.16 116.25 118.78 3kel h VAL 22 Ca 0.09 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 67.04 3kel h VAL 22 Cb 0.20 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 3kel h VAL 22 CO -0.01 0.16 0.04 -0.33 0.02 0.00 0.00 177.57 177.46 3kel h GLU 23 N -0.36 0.15 -0.61 1.57 5.08 -1.12 -0.98 114.58 118.31 3kel h GLU 23 Ca -0.01 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3kel h GLU 23 Cb 0.32 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3kel h GLU 23 CO 0.01 0.10 0.03 -0.91 -1.00 0.00 0.00 179.01 177.24 3kel h ASN 24 N 0.15 1.03 -0.96 1.42 2.35 -0.80 0.35 115.58 119.12 3kel h ASN 24 Ca 0.19 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3kel h ASN 24 Cb 0.24 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.29 3kel h ASN 24 CO -0.27 1.07 0.59 0.00 -1.65 0.00 0.00 177.43 177.17 3kel h ALA 25 N 1.00 1.23 -0.35 -0.83 0.00 -0.80 0.33 119.26 119.84 3kel h ALA 25 Ca 0.18 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3kel h ALA 25 Cb 0.52 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kel h ALA 25 CO 0.03 0.67 -0.08 -0.07 0.00 0.00 0.00 179.25 179.80 3kel h LEU 26 N 1.33 0.68 -0.48 0.00 3.38 -0.80 0.48 115.31 119.89 3kel h LEU 26 Ca 0.35 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3kel h LEU 26 Cb -0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3kel h LEU 26 CO -0.07 0.88 -0.00 0.00 0.09 0.00 0.00 178.44 179.34 3kel h ALA 27 N 0.82 0.65 0.17 1.53 0.00 -0.34 0.48 119.26 122.57 3kel h ALA 27 Ca 0.09 -0.28 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 3kel h ALA 27 Cb 0.58 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.22 3kel h ALA 27 CO 0.03 0.45 -1.34 0.82 0.00 0.00 0.00 179.25 179.22 3kel h ILE 28 N 0.71 1.30 -0.00 0.00 2.04 -0.34 -3.38 117.51 117.83 3kel h ILE 28 Ca 0.14 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.40 3kel h ILE 28 Cb 0.51 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3kel h ILE 28 CO 0.02 0.78 -0.34 -1.22 0.00 0.00 0.00 178.15 177.40 3kel n TYR 29 N -3.74 0.00 -0.31 1.37 4.01 0.15 -5.08 117.16 113.56 3kel n TYR 29 Ca -0.15 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.63 3kel n TYR 29 Cb 1.04 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.05 3kel n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kel n GLY 30 N 1.10 -2.17 3.83 2.72 0.00 0.17 -4.92 105.19 105.92 3kel n GLY 30 Ca 0.02 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 3kel n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kel s ALA 31 N -2.37 3.08 0.30 4.61 0.00 -1.26 -4.40 121.76 121.71 3kel s ALA 31 Ca 0.00 0.27 -0.10 0.00 0.00 0.00 0.00 51.96 52.13 3kel s ALA 31 Cb 0.00 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 3kel s ALA 31 CO 0.00 -0.02 0.64 -1.25 0.00 0.00 0.00 175.76 175.14 3kel s PRO 32 N -3.56 3.82 -0.09 0.00 0.04 -1.26 -5.14 135.00 128.80 3kel s PRO 32 Ca 0.60 0.37 0.02 0.00 0.04 0.00 0.00 61.00 62.03 3kel s PRO 32 Cb -0.09 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.92 3kel s PRO 32 CO 0.21 0.18 -0.16 0.42 0.04 0.00 0.00 177.00 177.70 3kel s ILE 33 N -2.02 1.50 -0.08 0.56 -1.09 -1.23 -4.71 121.20 114.11 3kel s ILE 33 Ca 0.49 -0.66 -0.14 0.00 -2.23 0.00 0.00 60.65 58.11 3kel s ILE 33 Cb -0.11 -1.35 -0.05 0.00 -1.58 0.00 0.00 42.46 39.37 3kel s ILE 33 CO 0.24 0.44 0.34 -0.31 -1.23 0.00 0.00 174.94 174.41 3kel s TYR 34 N 0.78 3.60 -0.07 3.97 1.51 -0.60 -1.03 117.35 125.51 3kel s TYR 34 Ca -0.11 0.78 0.03 0.00 -1.01 0.00 0.00 57.07 56.76 3kel s TYR 34 Cb -0.16 -2.28 0.01 0.00 -0.11 0.00 0.00 41.96 39.42 3kel s TYR 34 CO 0.02 0.48 -0.16 0.08 -1.11 0.00 0.00 175.55 174.85 3kel s VAL 35 N -0.39 1.44 -0.54 0.71 1.01 -0.11 -0.79 120.40 121.73 3kel s VAL 35 Ca 0.20 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 3kel s VAL 35 Cb -0.15 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 34.99 3kel s VAL 35 CO 0.08 0.42 0.92 -0.60 0.00 0.00 0.00 175.10 175.93 3kel s ARG 36 N 0.52 3.33 0.06 2.72 3.52 -0.51 -1.09 118.95 127.50 3kel s ARG 36 Ca -0.15 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 3kel s ARG 36 Cb -0.16 -4.05 0.00 0.00 -1.56 0.00 0.00 34.95 29.18 3kel s ARG 36 CO 0.05 -1.45 0.00 1.58 -0.81 0.00 0.00 175.30 174.68 3kel n HIS 37 N 7.35 -0.41 -1.65 5.12 -0.00 -0.55 -3.62 115.22 121.46 3kel n HIS 37 Ca 0.01 0.23 -0.49 0.00 -0.00 0.00 0.00 57.72 57.47 3kel n HIS 37 Cb 0.47 -0.47 -0.05 0.00 -0.00 0.00 0.00 29.99 29.95 3kel n HIS 37 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3kel n GLU 38 N -2.11 1.79 -0.30 1.57 1.02 -1.26 -4.72 120.64 116.63 3kel n GLU 38 Ca -0.01 0.65 0.04 0.00 -0.02 0.00 0.00 57.16 57.82 3kel n GLU 38 Cb 0.07 -2.38 0.18 0.00 -0.02 0.00 0.00 31.44 29.29 3kel n GLU 38 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3kel h VAL 39 N 3.81 0.89 -4.02 2.62 3.04 -1.94 -3.43 116.25 117.23 3kel h VAL 39 Ca -0.46 -0.28 -0.14 0.00 -1.01 0.00 0.00 66.70 64.81 3kel h VAL 39 Cb 1.28 0.02 -0.18 0.00 -2.01 0.00 0.00 31.29 30.40 3kel h VAL 39 CO 0.86 0.15 -0.65 0.68 -1.01 0.00 0.00 177.57 177.60 3kel s VAL 40 N -6.02 0.15 -1.38 1.51 -7.23 -1.26 -1.71 120.40 104.47 3kel s VAL 40 Ca -0.12 -1.28 -0.13 0.00 -1.81 0.00 0.00 61.98 58.64 3kel s VAL 40 Cb 0.20 -0.87 0.08 0.00 0.56 0.00 0.00 36.38 36.35 3kel s VAL 40 CO 0.79 -0.70 2.06 1.41 -0.31 0.00 0.00 175.10 178.34 3kel n HIS 41 N 0.86 3.52 -3.60 2.82 -0.00 -1.26 -4.78 115.22 112.78 3kel n HIS 41 Ca -0.19 -2.93 -0.14 0.00 -0.00 0.00 0.00 57.72 54.46 3kel n HIS 41 Cb 0.58 -2.38 -0.12 0.00 -0.00 0.00 0.00 29.99 28.07 3kel n HIS 41 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3kel s ASN 42 N 2.60 0.52 0.20 0.41 2.47 -1.26 -4.16 114.94 115.73 3kel s ASN 42 Ca 0.45 0.41 -0.10 0.00 0.42 0.00 0.00 52.86 54.04 3kel s ASN 42 Cb 0.11 0.70 0.27 0.00 -1.45 0.00 0.00 41.25 40.88 3kel s ASN 42 CO -0.04 -0.26 1.73 -0.09 -3.72 0.00 0.00 177.10 174.72 3kel h ARG 43 N 8.28 0.35 -0.33 0.43 2.43 -1.94 -1.30 114.38 122.29 3kel h ARG 43 Ca -0.15 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.02 3kel h ARG 43 Cb 1.12 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 3kel h ARG 43 CO 0.18 0.23 0.15 -0.92 -1.51 0.00 0.00 179.97 178.09 3kel h TYR 44 N 0.36 0.27 -0.14 2.20 3.20 -1.96 0.85 116.97 121.75 3kel h TYR 44 Ca 0.30 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 3kel h TYR 44 Cb 0.39 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3kel h TYR 44 CO -0.19 0.14 0.02 0.28 -1.64 0.00 0.00 178.16 176.77 3kel h VAL 45 N 0.31 1.23 -0.66 1.81 2.07 -1.81 -1.52 116.25 117.69 3kel h VAL 45 Ca 0.14 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 3kel h VAL 45 Cb 0.08 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3kel h VAL 45 CO -0.12 0.22 0.40 0.58 0.02 0.00 0.00 177.57 178.67 3kel h VAL 46 N 0.01 1.19 -0.66 2.57 2.07 -1.10 -0.97 116.25 119.36 3kel h VAL 46 Ca 0.04 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 3kel h VAL 46 Cb 0.31 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3kel h VAL 46 CO 0.00 0.19 0.16 0.44 0.02 0.00 0.00 177.57 178.38 3kel h ASP 47 N 0.90 1.01 -0.33 0.57 3.45 -0.77 -1.23 116.42 120.02 3kel h ASP 47 Ca 0.24 -0.24 -0.03 0.00 0.43 0.00 0.00 57.03 57.44 3kel h ASP 47 Cb -0.03 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.46 3kel h ASP 47 CO -0.05 0.98 0.11 0.28 -1.57 0.00 0.00 179.24 178.99 3kel h SER 48 N 0.98 0.48 -0.53 6.45 0.02 -0.88 -1.10 113.55 118.97 3kel h SER 48 Ca 0.21 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 3kel h SER 48 Cb 0.37 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3kel h SER 48 CO 0.00 0.55 0.08 -0.07 -1.14 0.00 0.00 176.83 176.25 3kel h LEU 49 N 0.38 0.88 -0.89 5.07 3.38 -1.07 -1.97 115.31 121.09 3kel h LEU 49 Ca 0.11 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3kel h LEU 49 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3kel h LEU 49 CO -0.00 0.90 0.01 -0.09 0.09 0.00 0.00 178.44 179.34 3kel h ARG 50 N 0.87 0.83 0.00 1.13 2.43 -1.03 -0.20 114.38 118.41 3kel h ARG 50 Ca 0.18 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3kel h ARG 50 Cb 0.40 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3kel h ARG 50 CO 0.01 0.83 -0.10 1.49 -1.51 0.00 0.00 179.97 180.68 3kel h GLU 51 N 0.77 0.00 -0.03 0.20 4.22 -0.76 -2.17 114.58 116.82 3kel h GLU 51 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.59 3kel h GLU 51 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3kel h GLU 51 CO 0.02 0.10 0.00 0.54 -2.18 0.00 0.00 179.01 177.49 3kel n ARG 52 N -3.29 1.86 0.00 1.92 5.12 -0.73 -4.93 116.66 116.61 3kel n ARG 52 Ca -0.00 -1.25 0.00 0.00 -1.93 0.00 0.00 57.85 54.67 3kel n ARG 52 Cb 0.33 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 3kel n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kel n GLY 53 N 1.23 0.93 3.76 -0.13 0.00 -0.81 -4.77 105.19 105.39 3kel n GLY 53 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3kel n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kel s ALA 54 N -2.00 3.40 -0.23 4.61 0.00 -0.17 -3.57 121.76 123.80 3kel s ALA 54 Ca 0.00 0.95 0.01 0.00 0.00 0.00 0.00 51.96 52.92 3kel s ALA 54 Cb 0.00 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.81 3kel s ALA 54 CO 0.00 -0.26 -0.12 0.42 0.00 0.00 0.00 175.76 175.81 3kel s ILE 55 N -1.19 2.37 -0.20 0.00 1.01 -0.20 -4.24 121.20 118.76 3kel s ILE 55 Ca 0.46 -1.24 -0.18 0.00 0.00 0.00 0.00 60.65 59.69 3kel s ILE 55 Cb -0.33 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 3kel s ILE 55 CO 0.42 0.21 0.51 -0.36 0.00 0.00 0.00 174.94 175.72 3kel s PHE 56 N 1.23 3.37 0.31 3.97 0.40 -1.26 -0.94 117.98 125.07 3kel s PHE 56 Ca -0.02 0.76 0.10 0.00 -0.60 0.00 0.00 56.93 57.17 3kel s PHE 56 Cb -0.17 -2.66 -0.06 0.00 0.51 0.00 0.00 43.02 40.64 3kel s PHE 56 CO -0.07 -0.10 -0.12 0.96 0.70 0.00 0.00 175.22 176.59 3kel s ILE 57 N 1.64 2.21 -0.18 0.64 -5.25 -0.25 -4.92 121.20 115.08 3kel s ILE 57 Ca 0.24 -2.25 0.03 0.00 -0.99 0.00 0.00 60.65 57.67 3kel s ILE 57 Cb -0.15 -2.51 -0.22 0.00 2.95 0.00 0.00 42.46 42.53 3kel s ILE 57 CO 0.09 -0.28 0.10 -0.62 -1.79 0.00 0.00 174.94 172.44 3kel n GLU 58 N -0.70 0.69 -4.92 0.37 1.02 -1.26 -1.47 120.64 114.36 3kel n GLU 58 Ca -0.05 0.18 -0.27 0.00 -0.02 0.00 0.00 57.16 57.00 3kel n GLU 58 Cb 0.62 -1.61 -0.15 0.00 -0.02 0.00 0.00 31.44 30.28 3kel n GLU 58 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3kel s GLN 59 N -2.54 1.62 0.46 3.49 -0.21 -1.26 -4.81 119.66 116.41 3kel s GLN 59 Ca -0.24 -0.81 0.17 0.00 0.02 0.00 0.00 55.36 54.50 3kel s GLN 59 Cb 0.08 -1.62 1.13 0.00 1.00 0.00 0.00 33.01 33.59 3kel s GLN 59 CO 0.71 0.44 1.97 0.82 -2.12 0.00 0.00 175.29 177.10 3kel h ILE 60 N 4.53 0.83 0.00 1.08 1.08 -1.97 -0.18 117.51 122.87 3kel h ILE 60 Ca -0.40 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3kel h ILE 60 Cb 1.14 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 3kel h ILE 60 CO 0.47 0.06 0.06 0.77 -0.69 0.00 0.00 178.15 178.81 3kel h SER 61 N 0.31 0.00 1.48 1.72 4.64 -2.01 0.82 113.55 120.51 3kel h SER 61 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3kel h SER 61 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3kel h SER 61 CO -0.07 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.56 3kel h GLU 62 N 0.00 0.00 -6.08 4.77 5.08 -1.45 -3.45 114.58 113.46 3kel h GLU 62 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3kel h GLU 62 Cb 0.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 3kel h GLU 62 CO 0.00 0.00 0.09 0.08 -1.00 0.00 0.00 179.01 178.18 3kel s VAL 63 N -3.18 4.99 0.53 3.13 1.01 0.28 -5.06 120.40 122.10 3kel s VAL 63 Ca 0.08 1.46 -0.19 0.00 0.00 0.00 0.00 61.98 63.33 3kel s VAL 63 Cb 0.10 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 3kel s VAL 63 CO 0.58 0.28 1.07 -2.84 0.00 0.00 0.00 175.10 174.19 3kel s PRO 64 N 0.61 3.55 0.63 2.72 0.02 -1.26 -5.00 135.00 136.26 3kel s PRO 64 Ca 0.37 1.40 -0.18 0.00 0.02 0.00 0.00 61.00 62.61 3kel s PRO 64 Cb -0.18 -2.05 -0.02 0.00 0.02 0.00 0.00 34.50 32.27 3kel s PRO 64 CO 0.19 -0.65 1.27 -0.51 -0.33 0.00 0.00 177.00 176.97 3kel s ASP 65 N -2.10 4.80 0.00 2.53 1.01 -1.26 -2.71 116.67 118.95 3kel s ASP 65 Ca 0.68 2.56 0.00 0.00 0.71 0.00 0.00 52.55 56.50 3kel s ASP 65 Cb -0.18 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.13 3kel s ASP 65 CO 0.26 -1.87 0.00 0.61 0.21 0.00 0.00 175.17 174.38 3kel n GLY 66 N 0.77 2.17 3.91 0.21 0.00 0.61 -5.03 105.19 107.84 3kel n GLY 66 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3kel n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kel s ALA 67 N -2.97 2.63 -0.15 4.61 0.00 -1.10 -4.81 121.76 119.98 3kel s ALA 67 Ca 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 3kel s ALA 67 Cb 0.00 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 3kel s ALA 67 CO 0.00 -1.80 0.06 0.42 0.00 0.00 0.00 175.76 174.43 3kel s ILE 68 N -3.60 4.78 -0.02 0.00 -1.09 -1.26 -1.93 121.20 118.07 3kel s ILE 68 Ca 0.65 -0.05 0.05 0.00 -2.23 0.00 0.00 60.65 59.06 3kel s ILE 68 Cb -0.09 -3.11 -0.01 0.00 -1.58 0.00 0.00 42.46 37.67 3kel s ILE 68 CO 0.49 0.52 -0.16 -0.22 -1.23 0.00 0.00 174.94 174.35 3kel s LEU 69 N -0.13 1.97 -0.06 2.97 2.96 0.62 -1.55 118.68 125.46 3kel s LEU 69 Ca 0.07 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.73 3kel s LEU 69 Cb -0.12 -0.84 -0.00 0.00 0.50 0.00 0.00 46.19 45.73 3kel s LEU 69 CO 0.01 0.17 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.39 3kel s ILE 70 N -0.21 1.67 0.15 6.68 1.09 0.03 -0.66 121.20 129.95 3kel s ILE 70 Ca 0.03 -0.84 -0.20 0.00 -1.10 0.00 0.00 60.65 58.54 3kel s ILE 70 Cb -0.08 -1.44 -0.07 0.00 -1.06 0.00 0.00 42.46 39.81 3kel s ILE 70 CO 0.00 0.47 0.65 -0.36 -0.10 0.00 0.00 174.94 175.61 3kel s PHE 71 N 0.10 3.74 1.04 3.97 2.99 -0.78 -1.43 117.98 127.61 3kel s PHE 71 Ca -0.07 1.34 -0.12 0.00 0.00 0.00 0.00 56.93 58.08 3kel s PHE 71 Cb -0.14 -2.56 0.21 0.00 0.00 0.00 0.00 43.02 40.53 3kel s PHE 71 CO 0.04 0.47 1.07 -1.54 -0.00 0.00 0.00 175.22 175.26 3kel s SER 72 N -1.39 2.15 0.61 1.36 1.04 -1.24 -2.20 113.70 114.03 3kel s SER 72 Ca 0.36 1.47 0.40 0.00 0.48 0.00 0.00 55.95 58.66 3kel s SER 72 Cb -0.19 -2.16 2.01 0.00 0.10 0.00 0.00 66.02 65.78 3kel s SER 72 CO 0.21 -3.47 2.21 0.00 0.98 0.00 0.00 173.24 173.17 3kel h ALA 73 N -2.12 1.00 0.00 5.32 0.00 -1.42 -2.84 119.26 119.20 3kel h ALA 73 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3kel h ALA 73 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kel h ALA 73 CO 0.53 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.50 3kel n HIS 74 N -3.04 0.57 0.00 0.00 8.25 -1.26 -1.64 115.22 118.10 3kel n HIS 74 Ca -0.02 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3kel n HIS 74 Cb 0.15 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.46 3kel n HIS 74 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kel n GLY 75 N 0.94 -0.10 3.12 -1.41 0.00 -1.08 -4.16 105.19 102.50 3kel n GLY 75 Ca 0.05 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.25 3kel n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kel s VAL 76 N -2.38 0.19 1.01 1.61 -7.23 -1.26 -4.59 120.40 107.75 3kel s VAL 76 Ca 0.00 -1.72 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 3kel s VAL 76 Cb 0.00 -1.56 0.20 0.00 0.56 0.00 0.00 36.38 35.57 3kel s VAL 76 CO 0.00 -0.87 1.10 -0.94 -0.31 0.00 0.00 175.10 174.08 3kel s SER 77 N -2.93 2.51 0.27 4.85 1.04 -1.26 -4.76 113.70 113.43 3kel s SER 77 Ca 0.09 1.14 0.07 0.00 0.48 0.00 0.00 55.95 57.72 3kel s SER 77 Cb 0.07 -1.79 0.38 0.00 0.10 0.00 0.00 66.02 64.78 3kel s SER 77 CO -0.09 -3.19 1.64 1.56 0.98 0.00 0.00 173.24 174.14 3kel h GLN 78 N -1.94 0.19 -0.56 4.02 1.08 -1.64 -1.95 115.11 114.32 3kel h GLN 78 Ca -0.55 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 56.53 3kel h GLN 78 Cb 1.33 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.75 3kel h GLN 78 CO 0.58 0.66 0.30 0.00 -0.95 0.00 0.00 178.83 179.41 3kel h ALA 79 N 1.32 0.71 -0.30 3.87 0.00 -1.92 0.35 119.26 123.29 3kel h ALA 79 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3kel h ALA 79 Cb 0.95 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3kel h ALA 79 CO 0.08 0.24 0.01 0.28 0.00 0.00 0.00 179.25 179.86 3kel h VAL 80 N 0.75 1.25 -0.20 0.00 2.07 -1.89 -1.18 116.25 117.04 3kel h VAL 80 Ca 0.19 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3kel h VAL 80 Cb 0.06 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3kel h VAL 80 CO -0.03 0.29 0.13 -0.09 0.02 0.00 0.00 177.57 177.89 3kel h ARG 81 N 0.33 0.27 -0.42 1.57 2.43 -0.98 -2.00 114.38 115.58 3kel h ARG 81 Ca 0.09 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3kel h ARG 81 Cb 0.41 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3kel h ARG 81 CO 0.01 0.20 -0.03 -0.91 -1.51 0.00 0.00 179.97 177.73 3kel h ASN 82 N 0.26 0.68 -0.14 -3.80 2.35 -0.25 -1.77 115.58 112.92 3kel h ASN 82 Ca 0.07 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3kel h ASN 82 Cb -0.01 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3kel h ASN 82 CO -0.02 0.77 0.05 -0.08 -1.65 0.00 0.00 177.43 176.50 3kel h GLU 83 N 0.66 0.21 -0.66 0.81 4.81 -1.03 -2.03 114.58 117.34 3kel h GLU 83 Ca 0.13 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3kel h GLU 83 Cb 0.46 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 3kel h GLU 83 CO 0.02 0.32 0.38 0.00 -0.73 0.00 0.00 179.01 179.00 3kel h ALA 84 N 0.88 1.43 -0.62 2.92 0.00 -1.18 -2.28 119.26 120.41 3kel h ALA 84 Ca 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3kel h ALA 84 Cb 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3kel h ALA 84 CO -0.00 0.48 0.19 0.87 0.00 0.00 0.00 179.25 180.79 3kel h LYS 85 N 0.91 0.96 0.00 0.00 1.57 -1.04 -2.84 116.57 116.13 3kel h LYS 85 Ca 0.24 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3kel h LYS 85 Cb -0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3kel h LYS 85 CO -0.04 0.85 -0.34 0.66 -0.57 0.00 0.00 179.45 180.01 3kel h SER 86 N 0.88 0.00 -4.25 0.86 4.64 -1.01 -3.45 113.55 111.22 3kel h SER 86 Ca 0.20 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.02 3kel h SER 86 Cb 0.29 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.45 3kel h SER 86 CO -0.01 0.34 0.37 -0.13 -0.87 0.00 0.00 176.83 176.54 3kel s ARG 87 N -3.66 3.16 -1.37 4.77 1.81 -0.89 -4.93 118.95 117.84 3kel s ARG 87 Ca -0.00 1.10 -0.15 0.00 -1.72 0.00 0.00 55.73 54.96 3kel s ARG 87 Cb 0.11 -2.02 0.07 0.00 -0.45 0.00 0.00 34.95 32.66 3kel s ARG 87 CO 0.68 -0.93 1.96 -3.47 -0.68 0.00 0.00 175.30 172.86 3kel n ASP 88 N -2.48 4.46 -3.97 0.23 4.64 -1.26 -4.88 116.55 113.28 3kel n ASP 88 Ca 0.08 -2.90 -0.09 0.00 -1.38 0.00 0.00 54.79 50.51 3kel n ASP 88 Cb 0.53 -1.68 -0.10 0.00 -1.04 0.00 0.00 41.12 38.83 3kel n ASP 88 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3kel s LEU 89 N 2.89 2.08 -0.28 -2.67 1.43 -1.26 -0.28 118.68 120.59 3kel s LEU 89 Ca 0.49 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 3kel s LEU 89 Cb 0.09 0.33 -0.04 0.00 0.03 0.00 0.00 46.19 46.59 3kel s LEU 89 CO -0.01 -0.42 0.27 -0.89 0.23 0.00 0.00 176.35 175.53 3kel s THR 90 N -2.22 5.25 -0.11 5.49 2.01 -0.81 -4.98 115.64 120.26 3kel s THR 90 Ca -0.09 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 3kel s THR 90 Cb -0.04 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 3kel s THR 90 CO -0.03 0.20 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.33 3kel s VAL 91 N 1.89 3.55 -0.17 3.82 1.01 -1.26 -0.27 120.40 128.98 3kel s VAL 91 Ca 0.10 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3kel s VAL 91 Cb -0.16 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.74 3kel s VAL 91 CO 0.11 0.54 -0.18 -0.36 0.00 0.00 0.00 175.10 175.21 3kel s PHE 92 N -0.09 2.56 -0.47 5.22 0.08 0.17 -4.98 117.98 120.46 3kel s PHE 92 Ca 0.00 -1.49 -0.20 0.00 0.12 0.00 0.00 56.93 55.36 3kel s PHE 92 Cb -0.13 -1.80 0.04 0.00 -0.57 0.00 0.00 43.02 40.55 3kel s PHE 92 CO 0.03 -0.75 0.66 0.34 -0.10 0.00 0.00 175.22 175.39 3kel s ASP 93 N 1.34 6.28 -0.01 1.36 3.68 -1.26 -1.87 116.67 126.20 3kel s ASP 93 Ca 0.05 -0.58 0.13 0.00 2.13 0.00 0.00 52.55 54.28 3kel s ASP 93 Cb -0.13 -2.31 0.38 0.00 -1.45 0.00 0.00 42.92 39.41 3kel s ASP 93 CO -0.12 -0.86 1.31 0.00 0.13 0.00 0.00 175.17 175.64 3kel n ALA 94 N 6.31 2.48 -1.67 3.66 0.00 -0.94 -4.93 120.51 125.43 3kel n ALA 94 Ca -0.03 -0.77 -0.45 0.00 0.00 0.00 0.00 53.44 52.18 3kel n ALA 94 Cb 0.47 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 3kel n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kel n THR 95 N 0.73 0.64 -2.06 0.00 -1.04 -1.17 -3.80 114.28 107.59 3kel n THR 95 Ca 0.14 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 3kel n THR 95 Cb 0.39 -1.52 -0.02 0.00 -1.82 0.00 0.00 70.33 67.36 3kel n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kel h PRO 97 N 3.98 0.26 0.00 0.00 0.11 -1.92 -0.26 132.00 134.17 3kel h PRO 97 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kel h PRO 97 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kel h PRO 97 CO 0.70 0.17 0.00 -0.07 -0.21 0.00 0.00 178.00 178.59 3kel h LEU 98 N 0.26 0.00 0.06 2.35 3.38 -1.98 -0.88 115.31 118.51 3kel h LEU 98 Ca 0.36 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.01 3kel h LEU 98 Cb 1.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3kel h LEU 98 CO -0.09 0.00 -1.79 0.52 0.09 0.00 0.00 178.44 177.18 3kel n VAL 99 N -2.54 1.65 -0.25 1.22 0.31 -0.18 -4.02 118.33 114.52 3kel n VAL 99 Ca 0.02 -0.39 0.15 0.00 -0.01 0.00 0.00 64.34 64.11 3kel n VAL 99 Cb 0.26 -1.84 0.45 0.00 -0.91 0.00 0.00 33.84 31.80 3kel n VAL 99 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3kel h THR 100 N -0.43 0.76 -0.44 2.52 2.02 -1.06 0.59 112.91 116.86 3kel h THR 100 Ca -0.43 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 66.61 3kel h THR 100 Cb 1.71 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 3kel h THR 100 CO -0.08 0.10 0.21 0.50 0.37 0.00 0.00 175.52 176.62 3kel h LYS 101 N 0.54 0.41 -0.50 6.66 3.64 -1.31 -1.68 116.57 124.32 3kel h LYS 101 Ca 0.45 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.73 3kel h LYS 101 Cb 0.93 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 3kel h LYS 101 CO -0.19 0.27 0.03 0.28 -2.27 0.00 0.00 179.45 177.58 3kel h VAL 102 N 0.43 1.26 -0.36 2.00 2.07 -1.07 -3.11 116.25 117.47 3kel h VAL 102 Ca 0.19 -1.02 0.08 0.00 0.82 0.00 0.00 66.70 66.77 3kel h VAL 102 Cb 0.11 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 3kel h VAL 102 CO -0.14 0.36 -0.15 0.45 0.02 0.00 0.00 177.57 178.11 3kel h HIS 103 N 0.73 -0.37 -1.01 1.57 3.86 -0.69 -2.08 115.15 117.17 3kel h HIS 103 Ca 0.15 0.04 0.12 0.00 -1.16 0.00 0.00 60.37 59.51 3kel h HIS 103 Cb 0.47 0.22 -0.08 0.00 1.06 0.00 0.00 27.41 29.07 3kel h HIS 103 CO 0.03 -0.23 0.63 1.98 0.86 0.00 0.00 177.93 181.21 3kel h MET 104 N -0.09 0.97 -0.30 2.45 -1.53 -1.25 -0.97 114.93 114.20 3kel h MET 104 Ca 0.18 -0.06 -0.13 0.00 -3.44 0.00 0.00 59.70 56.25 3kel h MET 104 Cb 0.36 -0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 3kel h MET 104 CO -0.42 0.64 -0.36 0.93 0.14 0.00 0.00 176.91 177.85 3kel h GLU 105 N 1.00 0.68 -0.47 0.39 4.39 -1.39 -1.42 114.58 117.76 3kel h GLU 105 Ca 0.50 -0.33 -0.10 0.00 0.34 0.00 0.00 59.36 59.77 3kel h GLU 105 Cb 0.49 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3kel h GLU 105 CO -0.26 0.94 -0.08 0.28 -1.16 0.00 0.00 179.01 178.72 3kel h VAL 106 N 0.57 1.27 -0.36 3.13 2.07 -0.79 -1.65 116.25 120.50 3kel h VAL 106 Ca 0.06 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 3kel h VAL 106 Cb 0.88 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3kel h VAL 106 CO 0.08 0.41 -0.02 0.00 0.02 0.00 0.00 177.57 178.06 3kel h ALA 107 N 0.89 1.30 -0.15 1.67 0.00 -1.11 -1.10 119.26 120.76 3kel h ALA 107 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kel h ALA 107 Cb 0.62 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3kel h ALA 107 CO 0.04 0.47 0.06 -0.09 0.00 0.00 0.00 179.25 179.73 3kel h ARG 108 N 0.54 0.22 -0.75 0.00 2.43 -0.89 -0.55 114.38 115.39 3kel h ARG 108 Ca 0.11 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3kel h ARG 108 Cb 0.38 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3kel h ARG 108 CO 0.01 0.31 0.27 0.00 -1.51 0.00 0.00 179.97 179.05 3kel h ALA 109 N 0.90 0.98 -0.46 2.80 0.00 -0.99 -1.93 119.26 120.57 3kel h ALA 109 Ca 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3kel h ALA 109 Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kel h ALA 109 CO -0.00 0.64 0.14 1.03 0.00 0.00 0.00 179.25 181.05 3kel h SER 110 N 1.10 0.62 -0.50 0.00 0.87 -0.98 -1.36 113.55 113.30 3kel h SER 110 Ca 0.25 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3kel h SER 110 Cb 0.26 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3kel h SER 110 CO -0.01 0.59 0.15 -0.09 -0.53 0.00 0.00 176.83 176.94 3kel h ARG 111 N 0.66 0.78 -0.00 2.24 2.43 -0.45 -2.72 114.38 117.32 3kel h ARG 111 Ca 0.16 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3kel h ARG 111 Cb 0.20 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3kel h ARG 111 CO -0.01 0.73 -0.03 0.54 -1.51 0.00 0.00 179.97 179.70 3kel n ARG 112 N -4.49 0.43 -1.14 0.20 1.74 -0.79 -4.91 116.66 107.70 3kel n ARG 112 Ca 0.01 -0.04 -0.05 0.00 -0.77 0.00 0.00 57.85 57.01 3kel n ARG 112 Cb 0.20 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 3kel n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kel n GLY 113 N 1.31 0.76 3.81 -0.13 0.00 -0.59 -5.02 105.19 105.32 3kel n GLY 113 Ca 0.14 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 3kel n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kel s GLU 114 N -2.20 3.58 0.51 1.61 -1.05 -0.74 -3.65 118.70 116.76 3kel s GLU 114 Ca 0.00 -0.19 -0.22 0.00 -0.15 0.00 0.00 54.97 54.41 3kel s GLU 114 Cb 0.00 -3.20 -0.06 0.00 -0.44 0.00 0.00 34.13 30.43 3kel s GLU 114 CO 0.00 0.64 1.22 -1.21 0.95 0.00 0.00 175.26 176.86 3kel s GLU 115 N -0.64 3.42 0.08 -4.83 2.02 -1.22 -4.35 118.70 113.17 3kel s GLU 115 Ca 0.13 1.90 0.05 0.00 0.02 0.00 0.00 54.97 57.06 3kel s GLU 115 Cb -0.12 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 3kel s GLU 115 CO 0.02 -0.86 -0.14 -1.12 0.02 0.00 0.00 175.26 173.18 3kel s SER 116 N -1.32 1.65 -0.11 -0.19 0.01 -0.16 -2.61 113.70 110.98 3kel s SER 116 Ca 0.69 -0.65 0.03 0.00 1.31 0.00 0.00 55.95 57.33 3kel s SER 116 Cb -0.32 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 65.88 3kel s SER 116 CO 0.37 -0.10 -0.21 -0.63 0.41 0.00 0.00 173.24 173.09 3kel s ILE 117 N -1.44 1.85 -0.18 1.44 -1.09 0.15 -1.44 121.20 120.49 3kel s ILE 117 Ca -0.01 -0.88 -0.05 0.00 -2.23 0.00 0.00 60.65 57.49 3kel s ILE 117 Cb -0.09 -1.62 -0.03 0.00 -1.58 0.00 0.00 42.46 39.14 3kel s ILE 117 CO 0.02 0.51 -0.01 -0.22 -1.23 0.00 0.00 174.94 174.01 3kel s LEU 118 N 0.60 3.34 -0.33 2.97 1.98 0.90 -0.88 118.68 127.26 3kel s LEU 118 Ca -0.14 -0.13 -0.18 0.00 -2.89 0.00 0.00 54.13 50.79 3kel s LEU 118 Cb -0.17 -1.83 -0.01 0.00 0.66 0.00 0.00 46.19 44.85 3kel s LEU 118 CO 0.04 0.13 0.53 -0.63 -1.89 0.00 0.00 176.35 174.53 3kel s ILE 119 N 0.63 5.01 0.00 6.68 1.09 -0.27 -1.24 121.20 133.10 3kel s ILE 119 Ca -0.01 0.52 -0.28 0.00 -1.10 0.00 0.00 60.65 59.79 3kel s ILE 119 Cb -0.14 -3.94 0.09 0.00 -1.06 0.00 0.00 42.46 37.41 3kel s ILE 119 CO 0.02 -0.15 1.26 -0.83 -0.10 0.00 0.00 174.94 175.14 3kel s GLY 120 N 1.71 -0.10 -0.26 6.18 0.00 -0.79 -0.99 107.32 113.06 3kel s GLY 120 Ca 0.20 -0.00 -0.11 0.00 0.00 0.00 0.00 44.72 44.81 3kel s GLY 120 CO 0.12 5.27 0.17 0.30 0.00 0.00 0.00 173.10 178.96 3kel s HIS 121 N -2.04 3.24 0.35 1.90 3.76 -1.26 -4.18 115.29 117.06 3kel s HIS 121 Ca 0.29 0.11 -0.27 0.00 -0.15 0.00 0.00 55.06 55.03 3kel s HIS 121 Cb -0.01 -2.33 -0.12 0.00 1.11 0.00 0.00 32.58 31.23 3kel s HIS 121 CO -0.00 -0.11 1.22 0.00 -0.85 0.00 0.00 174.74 175.01 3kel n ALA 122 N 4.81 1.00 0.00 -1.40 0.00 -1.26 -2.63 120.51 121.03 3kel n ALA 122 Ca -0.14 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3kel n ALA 122 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3kel n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kel n GLY 123 N 0.87 3.12 3.76 0.00 0.00 -1.26 -5.03 105.19 106.65 3kel n GLY 123 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3kel n GLY 123 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kel s HIS 124 N -2.04 3.12 0.46 1.61 5.04 -1.08 -4.88 115.29 117.51 3kel s HIS 124 Ca 0.00 1.39 0.16 0.00 -1.54 0.00 0.00 55.06 55.07 3kel s HIS 124 Cb 0.00 -3.65 1.11 0.00 0.04 0.00 0.00 32.58 30.08 3kel s HIS 124 CO 0.00 -1.80 1.99 -1.00 -2.34 0.00 0.00 174.74 171.59 3kel h PRO 125 N 3.76 0.30 -0.45 2.88 0.13 -1.95 -1.24 132.00 135.44 3kel h PRO 125 Ca -0.48 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 3kel h PRO 125 Cb 1.22 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3kel h PRO 125 CO 0.68 0.20 -0.20 1.49 -0.23 0.00 0.00 178.00 179.94 3kel h GLU 126 N 0.31 0.90 -0.66 0.86 4.81 -1.86 -1.10 114.58 117.84 3kel h GLU 126 Ca 0.26 -0.36 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 3kel h GLU 126 Cb 0.60 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3kel h GLU 126 CO -0.06 1.01 0.09 0.28 -0.73 0.00 0.00 179.01 179.60 3kel h VAL 127 N 0.78 1.26 -0.20 0.32 2.07 -1.57 0.36 116.25 119.28 3kel h VAL 127 Ca 0.11 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.59 3kel h VAL 127 Cb 0.74 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3kel h VAL 127 CO 0.06 0.39 0.11 -0.08 0.02 0.00 0.00 177.57 178.07 3kel h GLU 128 N 1.01 0.22 -0.34 1.57 4.81 -1.05 -0.74 114.58 120.07 3kel h GLU 128 Ca 0.20 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3kel h GLU 128 Cb 0.46 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3kel h GLU 128 CO 0.02 0.15 0.02 0.78 -0.73 0.00 0.00 179.01 179.24 3kel h GLY 129 N 0.23 0.63 0.80 1.92 0.00 -0.92 -1.37 103.07 104.35 3kel h GLY 129 Ca 0.08 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 3kel h GLY 129 CO -0.04 0.41 0.02 -0.84 0.00 0.00 0.00 176.54 176.09 3kel h THR 130 N 0.39 1.23 0.00 4.70 2.02 -0.81 -2.17 112.91 118.27 3kel h THR 130 Ca 0.10 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 3kel h THR 130 Cb 0.42 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3kel h THR 130 CO 0.01 0.21 -0.00 0.24 0.37 0.00 0.00 175.52 176.36 3kel h MET 131 N -0.00 0.00 0.00 6.66 2.86 -1.18 -1.82 114.93 121.45 3kel h MET 131 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3kel h MET 131 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 3kel h MET 131 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 3kel n GLY 132 N -0.15 -0.83 0.04 8.32 0.00 -0.52 -2.38 105.19 109.67 3kel n GLY 132 Ca -0.00 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.07 3kel n GLY 132 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kel n GLN 133 N -0.67 0.11 -3.92 1.61 1.13 -0.68 -1.82 117.38 113.13 3kel n GLN 133 Ca 0.07 -0.08 -0.35 0.00 -1.94 0.00 0.00 57.00 54.69 3kel n GLN 133 Cb 0.03 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 28.79 3kel n GLN 133 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3kel s TYR 134 N -2.95 3.28 0.00 1.08 5.04 -1.00 -3.99 117.35 118.81 3kel s TYR 134 Ca 0.10 0.12 0.07 0.00 -2.44 0.00 0.00 57.07 54.92 3kel s TYR 134 Cb 0.17 -2.11 0.12 0.00 0.35 0.00 0.00 41.96 40.48 3kel s TYR 134 CO 0.81 0.16 0.93 -1.13 -1.34 0.00 0.00 175.55 174.98 3kel n SER 135 N 3.61 0.05 -4.44 4.32 3.41 -1.26 -5.03 113.62 114.28 3kel n SER 135 Ca -0.16 -1.77 -0.43 0.00 -0.26 0.00 0.00 58.87 56.24 3kel n SER 135 Cb 0.52 -0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.31 3kel n SER 135 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kel s ASN 136 N -1.04 6.15 0.47 4.04 3.04 -1.26 -4.96 114.94 121.37 3kel s ASN 136 Ca 0.09 -0.98 0.22 0.00 0.04 0.00 0.00 52.86 52.23 3kel s ASN 136 Cb 0.11 -2.19 1.22 0.00 -1.54 0.00 0.00 41.25 38.84 3kel s ASN 136 CO -0.05 -0.57 1.90 -0.65 -3.04 0.00 0.00 177.10 174.69 3kel h PRO 137 N 8.72 0.24 -0.08 0.43 0.11 -1.97 -1.21 132.00 138.24 3kel h PRO 137 Ca -0.27 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.70 3kel h PRO 137 Cb 1.11 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3kel h PRO 137 CO 0.81 0.16 -0.50 0.93 -0.21 0.00 0.00 178.00 179.19 3kel h GLU 138 N 0.25 0.22 0.00 1.05 5.08 -1.93 -3.43 114.58 115.82 3kel h GLU 138 Ca 0.40 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3kel h GLU 138 Cb 1.19 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3kel h GLU 138 CO -0.10 0.67 0.00 0.41 -1.00 0.00 0.00 179.01 179.00 3kel n GLY 139 N 0.02 1.01 0.00 -3.84 0.00 -0.45 -4.96 105.19 96.96 3kel n GLY 139 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3kel n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kel n GLY 140 N 5.00 1.27 2.73 -0.02 0.00 -1.25 -4.85 105.19 108.06 3kel n GLY 140 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 3kel n GLY 140 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kel s MET 141 N -2.00 0.60 0.11 1.61 0.00 -1.26 -0.99 119.30 117.37 3kel s MET 141 Ca 0.00 -0.28 0.09 0.00 0.00 0.00 0.00 55.69 55.51 3kel s MET 141 Cb 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 34.83 32.96 3kel s MET 141 CO 0.00 -0.57 -0.20 0.71 0.00 0.00 0.00 175.02 174.96 3kel s TYR 142 N 1.91 2.48 -0.15 4.11 1.51 -0.52 -5.01 117.35 121.68 3kel s TYR 142 Ca 0.01 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 3kel s TYR 142 Cb -0.16 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 3kel s TYR 142 CO -0.07 0.35 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.47 3kel s LEU 143 N -1.98 3.01 0.00 -1.29 2.96 -1.26 -0.07 118.68 120.04 3kel s LEU 143 Ca 0.16 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.89 3kel s LEU 143 Cb -0.10 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3kel s LEU 143 CO 0.08 0.15 -0.17 0.68 -1.32 0.00 0.00 176.35 175.77 3kel s VAL 144 N 0.48 1.34 -0.16 1.68 -7.23 -0.38 -4.96 120.40 111.19 3kel s VAL 144 Ca -0.06 -0.83 0.05 0.00 -1.81 0.00 0.00 61.98 59.33 3kel s VAL 144 Cb -0.15 -1.14 -0.06 0.00 0.56 0.00 0.00 36.38 35.59 3kel s VAL 144 CO 0.03 0.29 0.18 -0.62 -0.31 0.00 0.00 175.10 174.68 3kel n GLU 145 N 2.43 3.50 -3.88 4.82 1.02 -1.26 -1.89 120.64 125.38 3kel n GLU 145 Ca -0.15 -0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 56.89 3kel n GLU 145 Cb 0.54 -0.87 -0.02 0.00 -0.02 0.00 0.00 31.44 31.07 3kel n GLU 145 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kel s SER 146 N -1.87 -0.16 0.33 1.62 1.04 -1.26 -4.90 113.70 108.50 3kel s SER 146 Ca 0.01 -0.77 0.04 0.00 0.48 0.00 0.00 55.95 55.71 3kel s SER 146 Cb 0.04 0.73 0.66 0.00 0.10 0.00 0.00 66.02 67.54 3kel s SER 146 CO 0.21 -1.37 1.92 -0.65 0.98 0.00 0.00 173.24 174.33 3kel h PRO 147 N 2.04 0.84 -0.65 4.02 0.11 -1.89 -1.12 132.00 135.34 3kel h PRO 147 Ca -0.22 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.89 3kel h PRO 147 Cb 1.25 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 3kel h PRO 147 CO 0.28 0.55 0.37 -0.44 -0.21 0.00 0.00 178.00 178.55 3kel h ASP 148 N 0.86 0.56 -0.58 -2.05 3.32 -1.99 0.71 116.42 117.25 3kel h ASP 148 Ca 0.37 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.40 3kel h ASP 148 Cb 0.31 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3kel h ASP 148 CO -0.14 0.37 0.21 0.44 -1.72 0.00 0.00 179.24 178.40 3kel h ASP 149 N 0.69 0.85 -0.25 6.45 3.32 -1.61 -2.13 116.42 123.74 3kel h ASP 149 Ca 0.29 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3kel h ASP 149 Cb 0.15 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3kel h ASP 149 CO -0.17 0.79 0.07 0.58 -1.72 0.00 0.00 179.24 178.79 3kel h VAL 150 N 0.90 1.20 -0.73 -1.35 2.07 -0.80 -1.62 116.25 115.93 3kel h VAL 150 Ca 0.21 -0.66 0.11 0.00 0.82 0.00 0.00 66.70 67.18 3kel h VAL 150 Cb 0.23 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3kel h VAL 150 CO -0.01 0.21 0.48 -0.50 0.02 0.00 0.00 177.57 177.77 3kel h TRP 151 N 0.23 0.62 -0.02 1.57 -0.00 -0.47 -1.70 115.95 116.17 3kel h TRP 151 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.99 3kel h TRP 151 Cb 0.26 -0.20 0.00 0.00 -0.00 0.00 0.00 29.16 29.22 3kel h TRP 151 CO 0.01 0.28 -0.02 1.63 -0.00 0.00 0.00 178.44 180.34 3kel n LYS 152 N -4.49 1.98 -2.75 0.49 4.76 -0.84 -4.96 118.16 112.35 3kel n LYS 152 Ca 0.12 -1.45 -0.37 0.00 -2.87 0.00 0.00 58.31 53.74 3kel n LYS 152 Cb 0.38 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 32.04 3kel n LYS 152 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kel s LEU 153 N -2.02 4.36 -0.03 -0.35 2.96 -0.63 -5.07 118.68 117.90 3kel s LEU 153 Ca 0.32 1.87 0.03 0.00 -0.22 0.00 0.00 54.13 56.13 3kel s LEU 153 Cb 0.20 -3.98 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3kel s LEU 153 CO 0.33 -0.08 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.29 3kel s THR 154 N -1.57 0.86 0.32 3.68 2.01 -1.26 -5.03 115.64 114.66 3kel s THR 154 Ca 0.50 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 62.13 3kel s THR 154 Cb -0.20 -0.76 -0.06 0.00 0.01 0.00 0.00 72.50 71.48 3kel s THR 154 CO 0.25 0.27 0.05 0.68 -0.69 0.00 0.00 174.62 175.18 3kel s VAL 155 N 0.18 1.24 -0.11 3.82 -7.23 -1.26 -5.09 120.40 111.95 3kel s VAL 155 Ca -0.03 -2.01 -0.25 0.00 -1.81 0.00 0.00 61.98 57.88 3kel s VAL 155 Cb -0.09 -2.78 -0.22 0.00 0.56 0.00 0.00 36.38 33.86 3kel s VAL 155 CO 0.01 -0.02 0.77 0.11 -0.31 0.00 0.00 175.10 175.65 3kel h LYS 156 N 2.12 -0.02 -3.16 4.82 1.57 -1.98 -3.43 116.57 116.49 3kel h LYS 156 Ca -0.41 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.79 3kel h LYS 156 Cb 1.24 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.16 3kel h LYS 156 CO 0.70 0.75 -0.77 1.21 -0.57 0.00 0.00 179.45 180.77 3kel s ASN 157 N -6.01 3.70 0.00 0.86 2.47 -1.26 -4.96 114.94 109.74 3kel s ASN 157 Ca -0.16 -2.02 0.09 0.00 0.42 0.00 0.00 52.86 51.18 3kel s ASN 157 Cb -0.02 -0.81 0.39 0.00 -1.45 0.00 0.00 41.25 39.36 3kel s ASN 157 CO 0.60 -0.35 1.25 -0.62 -3.72 0.00 0.00 177.10 174.25 3kel n GLU 158 N 4.32 0.03 0.13 0.43 1.02 -1.26 -2.11 120.64 123.20 3kel n GLU 158 Ca 0.03 0.31 0.01 0.00 -0.02 0.00 0.00 57.16 57.50 3kel n GLU 158 Cb 0.39 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.33 3kel n GLU 158 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kel h GLU 159 N 0.00 0.00 -2.95 3.49 4.39 -1.94 -3.38 114.58 114.19 3kel h GLU 159 Ca 0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 3kel h GLU 159 Cb 0.13 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.37 3kel h GLU 159 CO 0.00 0.57 -0.66 0.15 -1.16 0.00 0.00 179.01 177.91 3kel s LYS 160 N -2.96 2.07 0.01 2.33 1.02 -0.90 -4.93 119.74 116.38 3kel s LYS 160 Ca 0.03 -3.00 0.01 0.00 0.02 0.00 0.00 55.97 53.03 3kel s LYS 160 Cb 0.08 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.42 3kel s LYS 160 CO 0.75 -1.29 -0.04 -1.17 -0.92 0.00 0.00 175.35 172.68 3kel s LEU 161 N -1.01 2.06 0.08 3.17 2.96 -1.26 -3.46 118.68 121.22 3kel s LEU 161 Ca 0.26 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 3kel s LEU 161 Cb -0.05 -0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.42 3kel s LEU 161 CO -0.16 -0.01 -0.01 -0.94 -1.32 0.00 0.00 176.35 173.91 3kel s SER 162 N -0.40 0.54 0.12 3.68 1.04 -1.07 -0.79 113.70 116.82 3kel s SER 162 Ca -0.01 -1.06 0.03 0.00 0.48 0.00 0.00 55.95 55.40 3kel s SER 162 Cb -0.03 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 3kel s SER 162 CO -0.00 -0.61 -0.09 0.72 0.98 0.00 0.00 173.24 174.23 3kel s PHE 163 N -3.91 1.10 0.23 5.02 -0.12 -0.36 -0.67 117.98 119.27 3kel s PHE 163 Ca 0.12 -0.78 -0.01 0.00 -0.05 0.00 0.00 56.93 56.21 3kel s PHE 163 Cb 0.08 -0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 41.84 3kel s PHE 163 CO -0.06 -0.01 0.20 -1.64 -0.05 0.00 0.00 175.22 173.66 3kel s MET 164 N -3.54 1.33 0.12 1.99 -1.94 -0.06 -4.57 119.30 112.64 3kel s MET 164 Ca 0.12 -1.65 -0.03 0.00 -1.71 0.00 0.00 55.69 52.43 3kel s MET 164 Cb 0.02 0.30 -0.03 0.00 2.01 0.00 0.00 34.83 37.13 3kel s MET 164 CO -0.01 -0.46 0.10 0.95 -0.01 0.00 0.00 175.02 175.59 3kel s THR 165 N -4.02 0.11 0.52 2.05 -4.23 -1.26 -1.11 115.64 107.70 3kel s THR 165 Ca 0.37 -1.73 -0.19 0.00 -1.18 0.00 0.00 61.69 58.96 3kel s THR 165 Cb 0.05 -1.88 -0.07 0.00 1.34 0.00 0.00 72.50 71.95 3kel s THR 165 CO 0.14 -0.51 1.05 -1.58 -0.54 0.00 0.00 174.62 173.17 3kel s GLN 166 N -4.00 3.63 0.38 3.99 0.74 -0.16 -4.63 119.66 119.60 3kel s GLN 166 Ca 0.19 1.31 0.26 0.00 0.05 0.00 0.00 55.36 57.17 3kel s GLN 166 Cb 0.06 -2.07 0.77 0.00 1.10 0.00 0.00 33.01 32.87 3kel s GLN 166 CO -0.01 -0.57 1.75 1.79 -0.55 0.00 0.00 175.29 177.70 3kel h THR 167 N 1.17 0.00 -0.22 -0.34 1.35 -1.92 -3.36 112.91 109.59 3kel h THR 167 Ca -0.49 -0.65 -0.04 0.00 -0.55 0.00 0.00 66.41 64.68 3kel h THR 167 Cb 1.22 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 3kel h THR 167 CO 0.58 0.00 -0.03 0.35 -0.25 0.00 0.00 175.52 176.18 3kel n THR 168 N -2.75 2.27 -1.53 6.82 -2.24 -1.26 -2.14 114.28 113.44 3kel n THR 168 Ca 0.03 -2.17 -0.29 0.00 -2.27 0.00 0.00 64.05 59.35 3kel n THR 168 Cb 0.42 -0.27 0.11 0.00 -2.10 0.00 0.00 70.33 68.49 3kel n THR 168 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kel s LEU 169 N -2.94 2.33 0.04 3.22 1.43 -1.26 -4.18 118.68 117.32 3kel s LEU 169 Ca 0.41 1.16 -0.30 0.00 -1.03 0.00 0.00 54.13 54.36 3kel s LEU 169 Cb 0.34 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.86 3kel s LEU 169 CO 0.05 -2.25 1.44 -0.55 0.23 0.00 0.00 176.35 175.28 3kel s SER 170 N -3.94 6.80 0.15 2.29 0.15 -1.26 -4.91 113.70 112.98 3kel s SER 170 Ca 0.62 2.23 -0.16 0.00 0.70 0.00 0.00 55.95 59.34 3kel s SER 170 Cb -0.15 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.60 3kel s SER 170 CO 0.54 -0.73 1.80 0.58 1.20 0.00 0.00 173.24 176.63 3kel h VAL 171 N 4.75 1.11 0.39 4.45 2.07 -1.94 -1.41 116.25 125.67 3kel h VAL 171 Ca -0.40 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3kel h VAL 171 Cb 1.19 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3kel h VAL 171 CO 0.90 0.11 -0.20 0.44 0.02 0.00 0.00 177.57 178.84 3kel h ASP 172 N 0.53 -0.48 -0.63 0.57 3.32 -2.01 -2.57 116.42 115.16 3kel h ASP 172 Ca 0.14 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3kel h ASP 172 Cb -0.04 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3kel h ASP 172 CO -0.03 -0.33 0.27 0.44 -1.72 0.00 0.00 179.24 177.87 3kel h ASP 173 N -0.54 0.87 -0.54 6.45 3.45 -1.95 -2.56 116.42 121.60 3kel h ASP 173 Ca -0.05 -0.11 -0.05 0.00 0.43 0.00 0.00 57.03 57.25 3kel h ASP 173 Cb 0.42 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.94 3kel h ASP 173 CO 0.08 0.77 0.17 0.74 -1.57 0.00 0.00 179.24 179.43 3kel h THR 174 N 0.94 1.23 -0.94 0.35 2.02 -1.19 -1.77 112.91 113.56 3kel h THR 174 Ca 0.22 -0.80 0.07 0.00 0.77 0.00 0.00 66.41 66.68 3kel h THR 174 Cb 0.16 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 3kel h THR 174 CO -0.02 0.30 0.59 -1.28 0.37 0.00 0.00 175.52 175.49 3kel h SER 175 N 0.86 0.94 -0.43 4.18 0.87 -1.04 0.24 113.55 119.17 3kel h SER 175 Ca 0.19 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3kel h SER 175 Cb 0.27 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3kel h SER 175 CO -0.01 0.59 0.14 0.44 -0.53 0.00 0.00 176.83 177.46 3kel h ASP 176 N 1.07 0.62 -0.35 6.23 3.45 -1.21 -1.31 116.42 124.92 3kel h ASP 176 Ca 0.41 -0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.66 3kel h ASP 176 Cb 0.20 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 3kel h ASP 176 CO -0.18 0.65 0.15 0.58 -1.57 0.00 0.00 179.24 178.87 3kel h VAL 177 N 0.55 1.17 -0.68 -1.35 2.07 -0.73 -1.87 116.25 115.41 3kel h VAL 177 Ca 0.14 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3kel h VAL 177 Cb 0.25 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3kel h VAL 177 CO -0.01 0.19 0.37 0.40 0.02 0.00 0.00 177.57 178.54 3kel h ILE 178 N 0.42 1.21 -0.80 4.57 1.08 -0.86 -0.38 117.51 122.75 3kel h ILE 178 Ca 0.12 -0.53 0.04 0.00 -0.39 0.00 0.00 64.86 64.10 3kel h ILE 178 Cb 0.15 0.32 -0.05 0.00 -3.07 0.00 0.00 36.82 34.17 3kel h ILE 178 CO -0.01 0.23 0.51 0.44 -0.69 0.00 0.00 178.15 178.62 3kel h ASP 179 N 0.93 0.82 -0.62 1.72 3.45 -1.01 -1.19 116.42 120.52 3kel h ASP 179 Ca 0.24 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.61 3kel h ASP 179 Cb 0.04 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.61 3kel h ASP 179 CO -0.04 0.56 0.04 0.00 -1.57 0.00 0.00 179.24 178.23 3kel h ALA 180 N 1.35 0.83 -0.30 3.45 0.00 -0.80 -2.28 119.26 121.50 3kel h ALA 180 Ca 0.33 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kel h ALA 180 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kel h ALA 180 CO -0.13 0.63 0.18 -0.07 0.00 0.00 0.00 179.25 179.86 3kel h LEU 181 N 0.96 0.28 -0.87 0.00 3.38 -0.17 -0.95 115.31 117.95 3kel h LEU 181 Ca 0.18 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3kel h LEU 181 Cb 0.51 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3kel h LEU 181 CO 0.02 0.21 -0.54 0.03 0.09 0.00 0.00 178.44 178.26 3kel h ARG 182 N 0.36 0.08 -0.34 1.13 3.08 -1.19 0.45 114.38 117.95 3kel h ARG 182 Ca 0.12 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 3kel h ARG 182 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3kel h ARG 182 CO -0.06 0.60 -0.24 -0.22 -1.07 0.00 0.00 179.97 178.98 3kel h LYS 183 N 0.06 0.77 0.13 0.04 3.64 -1.17 -2.70 116.57 117.35 3kel h LYS 183 Ca -0.00 -0.37 -0.30 0.00 -1.27 0.00 0.00 60.65 58.71 3kel h LYS 183 Cb 0.97 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.81 3kel h LYS 183 CO 0.07 0.99 -1.25 -0.09 -2.27 0.00 0.00 179.45 176.91 3kel h ARG 184 N 0.55 0.61 -2.97 1.90 9.65 -1.06 -3.40 114.38 119.66 3kel h ARG 184 Ca 0.07 -0.83 -0.62 0.00 -1.10 0.00 0.00 59.98 57.50 3kel h ARG 184 Cb 0.80 0.28 -0.41 0.00 -1.39 0.00 0.00 29.97 29.25 3kel h ARG 184 CO 0.07 1.38 -0.68 -0.06 2.80 0.00 0.00 179.97 183.48 3kel s PHE 185 N -2.93 2.85 0.61 2.20 0.40 0.16 -4.98 117.98 116.28 3kel s PHE 185 Ca -0.10 -3.01 0.30 0.00 -0.60 0.00 0.00 56.93 53.52 3kel s PHE 185 Cb 0.05 -2.27 1.64 0.00 0.51 0.00 0.00 43.02 42.96 3kel s PHE 185 CO 0.93 -0.65 2.02 -1.00 0.70 0.00 0.00 175.22 177.22 3kel h PRO 186 N 5.73 0.00 -0.48 0.24 0.13 -1.69 -1.78 132.00 134.15 3kel h PRO 186 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3kel h PRO 186 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3kel h PRO 186 CO 0.62 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.02 3kel n LYS 187 N -3.53 2.49 -1.87 0.86 5.02 -1.26 -4.97 118.16 114.90 3kel n LYS 187 Ca 0.03 -2.27 -0.40 0.00 -2.02 0.00 0.00 58.31 53.64 3kel n LYS 187 Cb 0.42 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 3kel n LYS 187 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3kel s ILE 188 N -1.38 2.20 0.05 -0.18 2.07 -0.67 -4.67 121.20 118.62 3kel s ILE 188 Ca 0.41 0.19 0.08 0.00 -1.41 0.00 0.00 60.65 59.92 3kel s ILE 188 Cb 0.23 -3.12 -0.03 0.00 0.13 0.00 0.00 42.46 39.67 3kel s ILE 188 CO 0.31 0.04 -0.19 0.68 -1.91 0.00 0.00 174.94 173.87 3kel s VAL 189 N -1.16 2.71 0.00 4.00 -7.23 0.03 -4.97 120.40 113.78 3kel s VAL 189 Ca 0.55 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3kel s VAL 189 Cb -0.44 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.36 3kel s VAL 189 CO 0.59 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 176.30 3kel n GLY 190 N 1.49 2.36 3.42 2.32 0.00 -1.26 -1.22 105.19 112.29 3kel n GLY 190 Ca -0.16 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 3kel n GLY 190 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kel n PRO 191 N 0.00 -2.34 0.10 1.61 -0.04 -1.26 -4.91 135.00 128.16 3kel n PRO 191 Ca 0.00 -1.76 0.05 0.00 -0.04 0.00 0.00 63.50 61.75 3kel n PRO 191 Cb 0.00 -1.44 0.49 0.00 -0.04 0.00 0.00 33.50 32.50 3kel n PRO 191 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kel h ARG 192 N 0.00 0.33 0.00 0.54 3.08 -2.02 -3.42 114.38 112.89 3kel h ARG 192 Ca -0.39 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3kel h ARG 192 Cb 1.16 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3kel h ARG 192 CO 0.27 0.25 0.00 1.17 -1.07 0.00 0.00 179.97 180.58 3kel n LYS 193 N -4.47 0.00 -1.46 0.04 4.81 -1.26 -5.18 118.16 110.65 3kel n LYS 193 Ca 0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.44 3kel n LYS 193 Cb 0.10 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.15 3kel n LYS 193 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3kel n ASP 194 N -2.00 -0.20 -1.11 3.14 5.68 -1.26 -5.04 116.55 115.75 3kel n ASP 194 Ca 0.00 -1.12 0.09 0.00 -0.50 0.00 0.00 54.79 53.25 3kel n ASP 194 Cb 0.00 0.33 0.27 0.00 -1.14 0.00 0.00 41.12 40.57 3kel n ASP 194 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kel n ASP 195 N -0.86 3.79 -4.70 -1.12 10.43 -1.26 -4.90 116.55 117.93 3kel n ASP 195 Ca -0.01 -2.21 -0.42 0.00 2.57 0.00 0.00 54.79 54.72 3kel n ASP 195 Cb 0.06 -0.43 -0.03 0.00 1.84 0.00 0.00 41.12 42.56 3kel n ASP 195 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3kel s ILE 196 N -1.39 2.79 0.85 0.53 -1.09 -1.26 -4.26 121.20 117.37 3kel s ILE 196 Ca 0.40 0.34 -0.11 0.00 -2.23 0.00 0.00 60.65 59.04 3kel s ILE 196 Cb 0.23 -3.22 0.10 0.00 -1.58 0.00 0.00 42.46 37.99 3kel s ILE 196 CO 0.23 0.00 1.09 0.00 -1.23 0.00 0.00 174.94 175.03 3kel h TYR 198 N -1.33 1.07 -0.64 0.00 -0.00 -1.92 -2.01 116.97 112.13 3kel h TYR 198 Ca -0.48 0.03 -0.05 0.00 0.00 0.00 0.00 58.73 58.22 3kel h TYR 198 Cb 1.27 -0.35 -0.03 0.00 0.00 0.00 0.00 36.73 37.62 3kel h TYR 198 CO 0.46 0.58 0.19 0.00 -0.00 0.00 0.00 178.16 179.39 3kel h ALA 199 N 1.50 0.84 -0.17 0.10 0.00 -1.95 0.49 119.26 120.06 3kel h ALA 199 Ca 0.38 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kel h ALA 199 Cb 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kel h ALA 199 CO -0.14 0.52 -0.07 1.15 0.00 0.00 0.00 179.25 180.72 3kel h THR 200 N 0.93 1.30 -0.39 0.00 2.02 -1.74 -0.90 112.91 114.13 3kel h THR 200 Ca 0.20 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.30 3kel h THR 200 Cb 0.31 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 3kel h THR 200 CO -0.00 0.32 0.25 0.74 0.37 0.00 0.00 175.52 177.20 3kel h THR 201 N 0.04 1.12 -0.60 3.16 2.02 -1.26 -1.97 112.91 115.43 3kel h THR 201 Ca 0.04 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 66.89 3kel h THR 201 Cb 0.53 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3kel h THR 201 CO 0.02 0.12 0.07 0.78 0.37 0.00 0.00 175.52 176.88 3kel h ASN 202 N 0.52 0.97 -0.03 4.18 2.35 -0.85 -1.62 115.58 121.11 3kel h ASN 202 Ca 0.14 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 55.49 3kel h ASN 202 Cb -0.02 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 3kel h ASN 202 CO -0.03 1.00 -0.41 0.03 -1.65 0.00 0.00 177.43 176.38 3kel h ARG 203 N 0.91 0.54 -0.34 0.81 3.08 -1.04 -0.10 114.38 118.24 3kel h ARG 203 Ca 0.18 -0.28 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 3kel h ARG 203 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3kel h ARG 203 CO 0.02 0.86 -0.40 1.96 -1.07 0.00 0.00 179.97 181.33 3kel h GLN 204 N 0.45 0.83 -0.47 0.04 4.20 -1.29 -0.83 115.11 118.04 3kel h GLN 204 Ca 0.04 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 3kel h GLN 204 Cb 0.90 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 3kel h GLN 204 CO 0.08 1.08 0.24 1.49 -0.67 0.00 0.00 178.83 181.05 3kel h GLU 205 N 0.68 0.67 -0.52 1.46 4.81 -1.02 -1.35 114.58 119.31 3kel h GLU 205 Ca 0.05 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3kel h GLU 205 Cb 0.97 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 3kel h GLU 205 CO 0.09 0.55 -0.03 0.00 -0.73 0.00 0.00 179.01 178.89 3kel h ALA 206 N 1.09 0.97 0.00 2.92 0.00 -0.85 -2.54 119.26 120.85 3kel h ALA 206 Ca 0.16 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3kel h ALA 206 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kel h ALA 206 CO -0.02 0.62 -0.44 -0.24 0.00 0.00 0.00 179.25 179.17 3kel h VAL 207 N 0.82 1.06 -0.29 0.00 3.04 -0.95 -0.97 116.25 118.97 3kel h VAL 207 Ca 0.15 -1.66 -0.02 0.00 -1.01 0.00 0.00 66.70 64.16 3kel h VAL 207 Cb 0.53 1.96 -0.01 0.00 -2.01 0.00 0.00 31.29 31.77 3kel h VAL 207 CO 0.03 0.43 0.10 -0.09 -1.01 0.00 0.00 177.57 177.03 3kel h ARG 208 N 0.00 0.44 -0.27 4.17 2.43 -0.85 0.18 114.38 120.47 3kel h ARG 208 Ca -0.00 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 3kel h ARG 208 Cb 0.93 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3kel h ARG 208 CO 0.06 0.48 -0.26 0.00 -1.51 0.00 0.00 179.97 178.74 3kel h ALA 209 N 0.94 1.05 0.09 2.80 0.00 -1.21 -2.66 119.26 120.26 3kel h ALA 209 Ca 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kel h ALA 209 Cb 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kel h ALA 209 CO -0.00 0.58 -0.04 1.25 0.00 0.00 0.00 179.25 181.03 3kel h LEU 210 N 0.47 -0.10 -2.00 0.00 5.85 -0.80 -3.00 115.31 115.73 3kel h LEU 210 Ca 0.07 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.63 3kel h LEU 210 Cb 0.70 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3kel h LEU 210 CO 0.05 0.21 0.26 0.00 -0.34 0.00 0.00 178.44 178.63 3kel h ALA 211 N 0.47 2.35 0.00 1.25 0.00 -0.59 0.54 119.26 123.27 3kel h ALA 211 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kel h ALA 211 Cb 0.35 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kel h ALA 211 CO 0.02 -0.45 -0.11 0.93 0.00 0.00 0.00 179.25 179.64 3kel h GLU 212 N 0.00 0.00 0.00 0.00 5.08 -1.32 -3.24 114.58 115.09 3kel h GLU 212 Ca 0.17 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.33 3kel h GLU 212 Cb 0.70 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3kel h GLU 212 CO -0.00 0.11 -1.78 1.04 -1.00 0.00 0.00 179.01 177.37 3kel n GLN 213 N -3.67 2.08 -3.40 2.33 6.02 -0.02 -5.03 117.38 115.69 3kel n GLN 213 Ca -0.02 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 56.62 3kel n GLN 213 Cb 0.22 -1.29 -0.06 0.00 1.02 0.00 0.00 30.24 30.13 3kel n GLN 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kel s ALA 214 N -2.29 3.60 -0.01 -1.58 0.00 -0.04 -4.86 121.76 116.57 3kel s ALA 214 Ca -0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 3kel s ALA 214 Cb 0.04 -2.47 -0.28 0.00 0.00 0.00 0.00 23.12 20.41 3kel s ALA 214 CO 0.47 0.48 0.79 0.93 0.00 0.00 0.00 175.76 178.43 3kel h GLU 215 N 3.45 0.26 -5.43 0.00 5.08 -1.47 -3.45 114.58 113.03 3kel h GLU 215 Ca -0.48 -0.45 -0.56 0.00 -1.00 0.00 0.00 59.36 56.87 3kel h GLU 215 Cb 1.19 0.17 -0.31 0.00 0.50 0.00 0.00 28.75 30.30 3kel h GLU 215 CO 0.66 1.12 -0.84 0.08 -1.00 0.00 0.00 179.01 179.04 3kel s VAL 216 N -2.61 1.41 -0.14 3.13 1.01 -1.22 -2.61 120.40 119.38 3kel s VAL 216 Ca -0.11 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3kel s VAL 216 Cb 0.07 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.26 3kel s VAL 216 CO 0.85 0.40 -0.19 -0.69 0.00 0.00 0.00 175.10 175.48 3kel s VAL 217 N -0.12 1.83 -0.22 2.92 1.01 0.00 -0.05 120.40 125.78 3kel s VAL 217 Ca -0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 3kel s VAL 217 Cb -0.10 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3kel s VAL 217 CO 0.01 0.50 0.09 -0.76 0.00 0.00 0.00 175.10 174.94 3kel s LEU 218 N 1.06 3.73 -0.30 3.92 1.43 0.68 -1.74 118.68 127.47 3kel s LEU 218 Ca -0.03 -0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3kel s LEU 218 Cb -0.14 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.13 3kel s LEU 218 CO -0.05 0.07 0.04 -0.69 0.23 0.00 0.00 176.35 175.94 3kel s VAL 219 N 0.99 3.45 -0.33 -1.59 1.01 0.04 -1.29 120.40 122.68 3kel s VAL 219 Ca 0.05 -1.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 3kel s VAL 219 Cb -0.14 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.39 3kel s VAL 219 CO 0.03 0.00 1.19 -0.69 0.00 0.00 0.00 175.10 175.63 3kel s VAL 220 N 1.38 4.30 0.00 2.92 1.01 -0.34 -0.99 120.40 128.68 3kel s VAL 220 Ca -0.01 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.44 3kel s VAL 220 Cb -0.18 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.88 3kel s VAL 220 CO 0.00 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.17 3kel n GLY 221 N 4.19 0.79 3.91 4.51 0.00 0.35 -1.36 105.19 117.58 3kel n GLY 221 Ca 0.13 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 3kel n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kel s SER 222 N 0.00 6.34 0.52 1.61 0.01 -1.26 -3.72 113.70 117.20 3kel s SER 222 Ca 0.00 0.86 0.18 0.00 1.31 0.00 0.00 55.95 58.30 3kel s SER 222 Cb 0.00 -2.21 1.30 0.00 0.21 0.00 0.00 66.02 65.31 3kel s SER 222 CO 0.00 -0.45 2.11 0.11 0.41 0.00 0.00 173.24 175.42 3kel h LYS 223 N 0.69 0.00 -0.51 12.44 1.57 -1.95 -2.03 116.57 126.78 3kel h LYS 223 Ca -0.47 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3kel h LYS 223 Cb 1.20 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3kel h LYS 223 CO 0.63 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.78 3kel n ASN 224 N -4.50 2.73 -4.52 0.86 6.94 -1.26 -4.82 115.26 110.69 3kel n ASN 224 Ca 0.00 -2.07 -0.43 0.00 -0.02 0.00 0.00 54.58 52.07 3kel n ASN 224 Cb 0.21 -0.35 -0.08 0.00 -2.36 0.00 0.00 39.78 37.20 3kel n ASN 224 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3kel s SER 225 N -0.94 6.28 0.11 0.53 0.15 -0.77 -4.90 113.70 114.17 3kel s SER 225 Ca 0.32 -0.38 -0.26 0.00 0.70 0.00 0.00 55.95 56.33 3kel s SER 225 Cb 0.18 -2.28 -0.08 0.00 -1.71 0.00 0.00 66.02 62.12 3kel s SER 225 CO 0.20 -0.66 1.65 -1.28 1.20 0.00 0.00 173.24 174.35 3kel h SER 226 N 8.75 -0.67 -0.57 5.45 0.87 -1.88 -1.93 113.55 123.58 3kel h SER 226 Ca -0.26 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 3kel h SER 226 Cb 1.11 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 63.29 3kel h SER 226 CO 0.84 -0.32 0.28 -0.55 -0.53 0.00 0.00 176.83 176.55 3kel h ASN 227 N -0.43 0.76 -0.45 6.23 7.08 -1.94 -2.13 115.58 124.70 3kel h ASN 227 Ca 0.03 -0.08 -0.05 0.00 -3.08 0.00 0.00 56.30 53.13 3kel h ASN 227 Cb 0.46 -0.19 -0.02 0.00 -2.08 0.00 0.00 38.32 36.48 3kel h ASN 227 CO -0.14 0.65 0.10 0.28 -2.08 0.00 0.00 177.43 176.24 3kel h SER 228 N 0.85 0.70 -0.56 6.14 0.02 -1.86 -2.46 113.55 116.36 3kel h SER 228 Ca 0.21 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3kel h SER 228 Cb 0.10 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 3kel h SER 228 CO -0.03 0.76 0.26 0.78 -1.14 0.00 0.00 176.83 177.46 3kel h ASN 229 N 0.60 0.78 -0.14 3.07 4.21 -0.97 -2.20 115.58 120.93 3kel h ASN 229 Ca 0.14 -0.09 -0.06 0.00 1.21 0.00 0.00 56.30 57.50 3kel h ASN 229 Cb 0.34 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.32 3kel h ASN 229 CO 0.00 0.68 -0.07 0.03 -1.29 0.00 0.00 177.43 176.78 3kel h ARG 230 N 0.85 0.46 -0.32 0.81 -0.00 -1.08 -0.48 114.38 114.61 3kel h ARG 230 Ca 0.21 -0.11 -0.10 0.00 -0.50 0.00 0.00 59.98 59.47 3kel h ARG 230 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 3kel h ARG 230 CO -0.02 0.54 -0.19 -0.07 0.00 0.00 0.00 179.97 180.23 3kel h LEU 231 N 0.43 0.73 -0.78 3.04 3.38 -0.95 -1.44 115.31 119.72 3kel h LEU 231 Ca 0.09 -0.42 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 3kel h LEU 231 Cb 0.40 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3kel h LEU 231 CO 0.02 0.99 -0.31 0.00 0.09 0.00 0.00 178.44 179.23 3kel h ALA 232 N 0.76 0.95 -0.63 1.53 0.00 -1.24 -2.76 119.26 117.88 3kel h ALA 232 Ca 0.07 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3kel h ALA 232 Cb 0.73 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kel h ALA 232 CO 0.05 0.61 0.08 1.49 0.00 0.00 0.00 179.25 181.49 3kel h GLU 233 N 0.50 1.05 -0.34 0.00 4.81 -0.99 -1.84 114.58 117.77 3kel h GLU 233 Ca 0.06 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 3kel h GLU 233 Cb 0.78 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3kel h GLU 233 CO 0.06 0.99 0.11 1.25 -0.73 0.00 0.00 179.01 180.69 3kel h LEU 234 N 0.96 0.49 -0.41 1.64 6.46 -1.13 -0.60 115.31 122.71 3kel h LEU 234 Ca 0.19 -0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 3kel h LEU 234 Cb 0.46 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 3kel h LEU 234 CO 0.02 0.56 0.19 0.00 -0.62 0.00 0.00 178.44 178.58 3kel h ALA 235 N 0.95 0.54 -0.55 1.25 0.00 -1.40 -2.30 119.26 117.75 3kel h ALA 235 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kel h ALA 235 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3kel h ALA 235 CO -0.00 0.11 0.33 0.37 0.00 0.00 0.00 179.25 180.06 3kel h GLN 236 N 0.53 0.75 0.00 0.00 -0.00 -1.18 -1.67 115.11 113.54 3kel h GLN 236 Ca 0.14 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 3kel h GLN 236 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.47 3kel h GLN 236 CO -0.02 0.55 0.00 0.00 0.00 0.00 0.00 178.83 179.36 3kel h ARG 237 N 0.75 0.00 -0.16 1.69 3.08 -0.88 -0.64 114.38 118.22 3kel h ARG 237 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3kel h ARG 237 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3kel h ARG 237 CO -0.04 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.53 3kel n MET 238 N -2.79 1.61 -0.43 0.04 2.81 -0.65 -4.90 117.12 112.80 3kel n MET 238 Ca -0.00 -0.93 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 3kel n MET 238 Cb 0.18 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 3kel n MET 238 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kel n GLY 239 N 1.05 0.77 3.89 3.03 0.00 -0.25 -5.05 105.19 108.63 3kel n GLY 239 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 3kel n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kel s LYS 240 N -0.57 3.18 -0.23 1.61 3.01 -1.05 -5.03 119.74 120.67 3kel s LYS 240 Ca 0.00 -0.85 -0.26 0.00 -1.01 0.00 0.00 55.97 53.85 3kel s LYS 240 Cb 0.00 -2.75 -0.00 0.00 -1.01 0.00 0.00 37.83 34.07 3kel s LYS 240 CO 0.00 0.44 0.87 1.03 0.51 0.00 0.00 175.35 178.21 3kel s ARG 241 N -3.68 4.22 0.04 1.68 0.52 -1.07 -3.92 118.95 116.74 3kel s ARG 241 Ca 0.33 1.05 0.09 0.00 -0.52 0.00 0.00 55.73 56.67 3kel s ARG 241 Cb -0.09 -3.63 -0.03 0.00 0.52 0.00 0.00 34.95 31.72 3kel s ARG 241 CO 0.27 -0.51 -0.25 0.00 0.02 0.00 0.00 175.30 174.83 3kel s ALA 242 N 2.80 2.11 -0.03 2.13 0.00 -1.26 -0.82 121.76 126.69 3kel s ALA 242 Ca 0.37 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3kel s ALA 242 Cb -0.15 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.54 3kel s ALA 242 CO 0.08 0.50 -0.05 -0.06 0.00 0.00 0.00 175.76 176.23 3kel s PHE 243 N -0.78 0.67 -0.23 0.00 0.40 -0.71 -4.98 117.98 112.34 3kel s PHE 243 Ca 0.10 -0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 56.11 3kel s PHE 243 Cb -0.10 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.83 3kel s PHE 243 CO 0.02 -0.14 0.42 -1.17 0.70 0.00 0.00 175.22 175.05 3kel s LEU 244 N 0.65 4.11 0.03 -0.37 2.96 -1.26 -0.78 118.68 124.01 3kel s LEU 244 Ca -0.08 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 3kel s LEU 244 Cb -0.12 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 3kel s LEU 244 CO 0.00 -0.15 -0.09 0.27 -1.32 0.00 0.00 176.35 175.07 3kel s ILE 245 N 1.68 0.66 0.09 6.68 -0.00 -0.16 -4.94 121.20 125.21 3kel s ILE 245 Ca 0.19 -0.84 -0.01 0.00 -0.00 0.00 0.00 60.65 60.00 3kel s ILE 245 Cb -0.15 -0.65 -0.26 0.00 -0.00 0.00 0.00 42.46 41.40 3kel s ILE 245 CO 0.09 -0.15 1.18 0.44 -0.00 0.00 0.00 174.94 176.50 3kel h ASP 246 N 5.01 0.29 -5.11 4.36 3.32 -1.86 0.10 116.42 122.53 3kel h ASP 246 Ca -0.34 -0.31 0.09 0.00 0.02 0.00 0.00 57.03 56.48 3kel h ASP 246 Cb 1.19 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 3kel h ASP 246 CO 0.44 1.24 0.32 1.51 -1.72 0.00 0.00 179.24 181.04 3kel s ASP 247 N -7.01 -0.17 0.49 6.45 1.47 -1.26 -4.70 116.67 111.94 3kel s ASP 247 Ca -0.02 -0.67 0.26 0.00 1.18 0.00 0.00 52.55 53.30 3kel s ASP 247 Cb 0.08 0.68 1.33 0.00 -0.34 0.00 0.00 42.92 44.67 3kel s ASP 247 CO 0.86 -1.28 1.87 0.00 0.68 0.00 0.00 175.17 177.30 3kel h ALA 248 N 2.00 2.61 0.00 2.11 0.00 -1.86 -1.07 119.26 123.05 3kel h ALA 248 Ca -0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3kel h ALA 248 Cb 1.24 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kel h ALA 248 CO 0.28 -0.88 -0.03 0.87 0.00 0.00 0.00 179.25 179.49 3kel h LYS 249 N 0.15 0.00 0.00 0.00 1.57 -1.96 -2.03 116.57 114.30 3kel h LYS 249 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3kel h LYS 249 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 3kel h LYS 249 CO -0.08 0.03 0.00 -0.44 -0.57 0.00 0.00 179.45 178.39 3kel h ASP 250 N 0.00 0.00 -2.78 0.86 3.32 -1.61 -3.45 116.42 112.76 3kel h ASP 250 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3kel h ASP 250 Cb 0.08 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.65 3kel h ASP 250 CO 0.00 0.00 0.92 -0.63 -1.72 0.00 0.00 179.24 177.82 3kel s ILE 251 N -3.28 3.02 -0.11 0.35 -1.09 -0.77 -5.01 121.20 114.32 3kel s ILE 251 Ca 0.06 0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 59.02 3kel s ILE 251 Cb 0.10 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 3kel s ILE 251 CO 0.54 0.02 0.07 -1.10 -1.23 0.00 0.00 174.94 173.24 3kel s GLN 252 N 2.06 3.28 0.22 2.79 -1.52 -1.26 -5.02 119.66 120.21 3kel s GLN 252 Ca 0.71 -0.27 -0.07 0.00 -1.95 0.00 0.00 55.36 53.78 3kel s GLN 252 Cb -0.40 -3.02 0.35 0.00 -0.22 0.00 0.00 33.01 29.73 3kel s GLN 252 CO 0.31 0.71 1.73 0.93 -0.25 0.00 0.00 175.29 178.73 3kel h GLU 253 N 5.18 0.40 -0.11 2.91 5.08 -2.00 -1.66 114.58 124.37 3kel h GLU 253 Ca -0.52 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.85 3kel h GLU 253 Cb 1.21 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 3kel h GLU 253 CO 0.57 0.26 0.11 0.93 -1.00 0.00 0.00 179.01 179.88 3kel h GLU 254 N 0.41 0.00 -0.89 2.33 5.08 -1.95 -1.62 114.58 117.93 3kel h GLU 254 Ca 0.35 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.75 3kel h GLU 254 Cb 0.48 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 3kel h GLU 254 CO -0.36 0.00 0.58 -1.49 -1.00 0.00 0.00 179.01 176.75 3kel h TRP 255 N 0.00 1.07 -0.04 4.33 4.06 -1.72 -3.19 115.95 120.46 3kel h TRP 255 Ca 0.05 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.03 3kel h TRP 255 Cb 0.26 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 28.07 3kel h TRP 255 CO 0.00 0.61 0.00 1.33 -3.56 0.00 0.00 178.44 176.82 3kel n VAL 256 N -4.45 0.78 -1.80 1.49 0.24 -0.94 -4.92 118.33 108.73 3kel n VAL 256 Ca 0.12 -0.89 -0.42 0.00 -2.04 0.00 0.00 64.34 61.11 3kel n VAL 256 Cb 0.13 0.62 -0.03 0.00 -1.47 0.00 0.00 33.84 33.08 3kel n VAL 256 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3kel s LYS 257 N -0.81 4.16 0.00 7.34 2.20 -0.66 -1.45 119.74 130.52 3kel s LYS 257 Ca 0.03 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 3kel s LYS 257 Cb 0.02 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 3kel s LYS 257 CO 0.02 -0.82 0.00 -1.91 -0.36 0.00 0.00 175.35 172.29 3kel n GLU 258 N 5.98 -0.23 -2.60 4.03 2.13 -1.26 -4.99 120.64 123.70 3kel n GLU 258 Ca 0.17 0.06 -0.41 0.00 0.66 0.00 0.00 57.16 57.64 3kel n GLU 258 Cb 0.40 -3.30 -0.04 0.00 0.27 0.00 0.00 31.44 28.77 3kel n GLU 258 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kel s VAL 259 N -2.56 4.27 -0.04 6.31 1.01 -0.53 -4.96 120.40 123.91 3kel s VAL 259 Ca 0.00 1.81 0.13 0.00 0.00 0.00 0.00 61.98 63.92 3kel s VAL 259 Cb 0.00 -4.16 -0.20 0.00 0.00 0.00 0.00 36.38 32.02 3kel s VAL 259 CO 0.00 0.24 0.81 0.50 0.00 0.00 0.00 175.10 176.66 3kel h LYS 260 N 5.83 0.00 -3.17 2.72 3.64 -1.94 -3.43 116.57 120.22 3kel h LYS 260 Ca -0.43 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.62 3kel h LYS 260 Cb 1.21 0.00 -0.37 0.00 -0.41 0.00 0.00 32.23 32.66 3kel h LYS 260 CO 0.74 0.53 -0.68 0.00 -2.27 0.00 0.00 179.45 177.77 3kel s VAL 262 N 2.24 2.42 0.01 0.00 0.11 0.07 -1.24 120.40 124.01 3kel s VAL 262 Ca 0.04 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.19 3kel s VAL 262 Cb -0.12 -1.93 -0.04 0.00 -1.53 0.00 0.00 36.38 32.76 3kel s VAL 262 CO -0.05 0.56 0.01 -0.83 -3.33 0.00 0.00 175.10 171.46 3kel s GLY 263 N -0.01 1.90 -0.02 6.54 0.00 0.93 -0.91 107.32 115.74 3kel s GLY 263 Ca -0.07 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.73 3kel s GLY 263 CO 0.05 -0.84 -0.11 0.14 0.00 0.00 0.00 173.10 172.34 3kel s VAL 264 N -1.13 0.92 0.34 1.40 1.01 0.20 -0.23 120.40 122.92 3kel s VAL 264 Ca 0.21 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3kel s VAL 264 Cb -0.12 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 3kel s VAL 264 CO 0.12 0.27 0.39 0.28 0.00 0.00 0.00 175.10 176.16 3kel s THR 265 N -0.01 0.00 -0.07 3.92 -1.32 -0.41 -1.27 115.64 116.48 3kel s THR 265 Ca -0.00 -1.76 -0.09 0.00 -1.21 0.00 0.00 61.69 58.62 3kel s THR 265 Cb -0.07 -2.59 0.02 0.00 -1.51 0.00 0.00 72.50 68.35 3kel s THR 265 CO 0.00 0.00 0.24 0.00 -2.21 0.00 0.00 174.62 172.66 3kel s ALA 266 N -3.22 -0.60 0.99 11.08 0.00 -1.26 -1.20 121.76 127.55 3kel s ALA 266 Ca 0.35 0.53 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 3kel s ALA 266 Cb 0.01 -0.26 0.18 0.00 0.00 0.00 0.00 23.12 23.05 3kel s ALA 266 CO 0.23 -0.15 1.09 0.20 0.00 0.00 0.00 175.76 177.12 3kel s GLY 267 N -0.31 1.58 0.50 0.00 0.00 -0.46 -0.78 107.32 107.85 3kel s GLY 267 Ca -0.04 -0.25 0.33 0.00 0.00 0.00 0.00 44.72 44.76 3kel s GLY 267 CO 0.01 0.34 2.02 0.00 0.00 0.00 0.00 173.10 175.48 3kel h ALA 268 N -1.89 1.00 -0.20 3.20 0.00 -1.91 -2.52 119.26 116.93 3kel h ALA 268 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3kel h ALA 268 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kel h ALA 268 CO 0.56 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 3kel n SER 269 N -2.68 2.88 -4.64 0.00 3.41 -1.26 -3.04 113.62 108.29 3kel n SER 269 Ca -0.02 -1.85 -0.38 0.00 -0.26 0.00 0.00 58.87 56.36 3kel n SER 269 Cb 0.07 -0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 3kel n SER 269 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kel s ALA 270 N -1.39 3.57 0.54 7.33 0.00 -0.95 -4.69 121.76 126.17 3kel s ALA 270 Ca 0.27 -0.69 -0.21 0.00 0.00 0.00 0.00 51.96 51.33 3kel s ALA 270 Cb 0.17 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 3kel s ALA 270 CO 0.24 -0.46 1.29 -2.14 0.00 0.00 0.00 175.76 174.69 3kel s PRO 271 N 1.65 3.24 0.45 0.00 0.02 -1.26 -3.76 135.00 135.34 3kel s PRO 271 Ca 0.16 2.06 0.11 0.00 0.02 0.00 0.00 61.00 63.34 3kel s PRO 271 Cb -0.15 -2.23 1.01 0.00 0.02 0.00 0.00 34.50 33.15 3kel s PRO 271 CO 0.08 -1.06 2.08 0.22 -0.33 0.00 0.00 177.00 178.00 3kel h ASP 272 N 1.48 0.31 -0.71 2.53 1.82 -1.98 -1.90 116.42 117.97 3kel h ASP 272 Ca -0.50 -0.01 0.11 0.00 -0.39 0.00 0.00 57.03 56.24 3kel h ASP 272 Cb 1.29 -0.08 -0.05 0.00 0.68 0.00 0.00 39.33 41.18 3kel h ASP 272 CO 0.57 0.22 0.47 -0.29 -1.61 0.00 0.00 179.24 178.60 3kel h ILE 273 N 0.37 0.88 -0.52 2.25 -0.00 -2.00 -0.23 117.51 118.26 3kel h ILE 273 Ca 0.12 -0.18 -0.08 0.00 -0.00 0.00 0.00 64.86 64.73 3kel h ILE 273 Cb 0.03 0.32 -0.02 0.00 -0.00 0.00 0.00 36.82 37.16 3kel h ILE 273 CO -0.03 0.09 0.03 -0.07 -0.00 0.00 0.00 178.15 178.18 3kel h LEU 274 N 0.51 0.88 -0.58 2.19 3.38 -1.71 -2.43 115.31 117.54 3kel h LEU 274 Ca 0.33 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3kel h LEU 274 Cb 0.60 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3kel h LEU 274 CO -0.11 0.95 0.24 0.58 0.09 0.00 0.00 178.44 180.19 3kel h VAL 275 N 0.78 1.22 -0.81 1.22 2.07 -1.15 -1.81 116.25 117.77 3kel h VAL 275 Ca 0.15 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.06 3kel h VAL 275 Cb 0.48 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 3kel h VAL 275 CO 0.02 0.27 0.47 1.56 0.02 0.00 0.00 177.57 179.91 3kel h GLN 276 N 0.80 0.79 0.00 1.57 1.08 -1.02 -0.28 115.11 118.05 3kel h GLN 276 Ca 0.19 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.23 3kel h GLN 276 Cb 0.19 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 3kel h GLN 276 CO -0.02 0.52 -0.57 -0.91 -0.95 0.00 0.00 178.83 176.91 3kel h ASN 277 N 0.81 0.00 -0.29 1.46 4.21 -1.14 -1.25 115.58 119.39 3kel h ASN 277 Ca 0.38 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.85 3kel h ASN 277 Cb 0.30 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.49 3kel h ASN 277 CO -0.22 0.57 0.03 0.58 -1.29 0.00 0.00 177.43 177.09 3kel h VAL 278 N 0.00 1.24 -0.29 2.81 2.07 -0.41 -0.44 116.25 121.23 3kel h VAL 278 Ca -0.01 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3kel h VAL 278 Cb 1.07 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3kel h VAL 278 CO 0.07 0.27 0.16 0.58 0.02 0.00 0.00 177.57 178.68 3kel h VAL 279 N 0.30 1.02 -0.70 2.57 2.07 -0.89 -0.70 116.25 119.92 3kel h VAL 279 Ca 0.09 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3kel h VAL 279 Cb 0.37 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 3kel h VAL 279 CO 0.01 0.06 0.41 0.00 0.02 0.00 0.00 177.57 178.07 3kel h ALA 280 N 1.13 0.94 -0.50 1.67 0.00 -1.01 0.09 119.26 121.58 3kel h ALA 280 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3kel h ALA 280 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3kel h ALA 280 CO -0.06 0.13 0.09 -0.09 0.00 0.00 0.00 179.25 179.32 3kel h ARG 281 N 0.77 0.82 -0.37 0.00 9.65 -0.65 -2.00 114.38 122.61 3kel h ARG 281 Ca 0.30 -0.22 -0.05 0.00 -1.10 0.00 0.00 59.98 58.92 3kel h ARG 281 Cb 0.14 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 3kel h ARG 281 CO -0.16 0.81 0.03 -0.07 2.80 0.00 0.00 179.97 183.39 3kel h LEU 282 N 0.70 0.52 -0.78 3.80 3.38 -0.55 -2.45 115.31 119.93 3kel h LEU 282 Ca 0.15 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 3kel h LEU 282 Cb 0.38 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kel h LEU 282 CO 0.01 0.57 -0.33 1.56 0.09 0.00 0.00 178.44 180.34 3kel h GLN 283 N 0.54 0.55 0.00 1.13 4.20 -0.60 0.11 115.11 121.04 3kel h GLN 283 Ca 0.12 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3kel h GLN 283 Cb 0.30 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3kel h GLN 283 CO 0.01 0.81 0.00 0.00 -0.67 0.00 0.00 178.83 178.98 3kel n GLN 284 N -4.07 0.36 -0.44 1.46 10.64 -0.79 -1.88 117.38 122.66 3kel n GLN 284 Ca -0.01 0.04 0.08 0.00 -1.83 0.00 0.00 57.00 55.28 3kel n GLN 284 Cb 0.46 -1.50 0.27 0.00 -0.86 0.00 0.00 30.24 28.61 3kel n GLN 284 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3kel n LEU 285 N -1.29 3.97 0.00 2.61 4.77 -0.48 -4.94 117.00 121.65 3kel n LEU 285 Ca 0.12 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.62 3kel n LEU 285 Cb 0.21 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3kel n LEU 285 CO 0.20 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 3kel n GLY 286 N 0.47 1.58 3.75 -0.72 0.00 -0.79 -5.01 105.19 104.48 3kel n GLY 286 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3kel n GLY 286 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kel s GLY 287 N -2.16 2.34 0.00 -0.02 0.00 0.27 -3.46 107.32 104.29 3kel s GLY 287 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 44.72 45.46 3kel s GLY 287 CO 0.00 1.11 0.00 0.61 0.00 0.00 0.00 173.10 174.82 3kel n GLY 288 N -0.03 1.76 3.74 0.20 0.00 -0.68 -4.39 105.19 105.80 3kel n GLY 288 Ca 0.12 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3kel n GLY 288 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kel s GLU 289 N 3.34 4.37 0.21 1.61 -1.05 -1.26 -4.74 118.70 121.17 3kel s GLU 289 Ca 0.00 2.11 -0.30 0.00 -0.15 0.00 0.00 54.97 56.62 3kel s GLU 289 Cb 0.00 -3.17 -0.10 0.00 -0.44 0.00 0.00 34.13 30.42 3kel s GLU 289 CO 0.00 -0.28 1.44 0.00 0.95 0.00 0.00 175.26 177.37 3kel s ALA 290 N 0.01 3.63 -0.30 -0.84 0.00 -1.26 -4.47 121.76 118.53 3kel s ALA 290 Ca 0.57 1.27 -0.04 0.00 0.00 0.00 0.00 51.96 53.76 3kel s ALA 290 Cb -0.38 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.23 3kel s ALA 290 CO 0.40 -0.70 0.03 0.42 0.00 0.00 0.00 175.76 175.91 3kel s ILE 291 N 0.36 3.29 0.07 0.00 1.01 0.66 -4.98 121.20 121.62 3kel s ILE 291 Ca 0.61 -1.19 -0.31 0.00 0.00 0.00 0.00 60.65 59.77 3kel s ILE 291 Cb -0.41 -2.83 -0.06 0.00 0.01 0.00 0.00 42.46 39.17 3kel s ILE 291 CO 0.39 -0.06 1.24 -2.84 0.00 0.00 0.00 174.94 173.66 3kel s PRO 292 N 1.33 4.41 0.49 2.79 0.02 -1.26 -1.21 135.00 141.58 3kel s PRO 292 Ca -0.03 1.83 -0.16 0.00 0.02 0.00 0.00 61.00 62.66 3kel s PRO 292 Cb -0.19 -3.33 -0.08 0.00 0.02 0.00 0.00 34.50 30.92 3kel s PRO 292 CO -0.00 -0.30 0.95 -0.51 -0.33 0.00 0.00 177.00 176.82 3kel s LEU 293 N 1.09 3.67 0.33 -5.54 1.43 -0.21 -4.89 118.68 114.55 3kel s LEU 293 Ca 0.60 1.52 -0.27 0.00 -1.03 0.00 0.00 54.13 54.94 3kel s LEU 293 Cb -0.31 -4.45 -0.09 0.00 0.03 0.00 0.00 46.19 41.37 3kel s LEU 293 CO 0.29 -0.55 1.09 -1.61 0.23 0.00 0.00 176.35 175.80 3kel s GLU 294 N -3.98 4.44 0.30 1.70 0.41 -1.26 -4.49 118.70 115.81 3kel s GLU 294 Ca 0.58 1.72 -0.17 0.00 -0.41 0.00 0.00 54.97 56.68 3kel s GLU 294 Cb -0.10 -2.95 0.02 0.00 -1.78 0.00 0.00 34.13 29.33 3kel s GLU 294 CO 0.30 0.06 0.67 0.20 -0.49 0.00 0.00 175.26 176.00 3kel s GLY 295 N -1.11 0.21 0.17 -1.39 0.00 -1.26 -4.82 107.32 99.11 3kel s GLY 295 Ca 0.50 -0.57 -0.34 0.00 0.00 0.00 0.00 44.72 44.31 3kel s GLY 295 CO 0.37 -0.29 1.55 -2.13 0.00 0.00 0.00 173.10 172.59 3kel n ARG 296 N -0.46 2.09 -2.99 2.90 3.00 -1.26 -4.87 116.66 115.07 3kel n ARG 296 Ca -0.04 0.75 -0.39 0.00 -0.00 0.00 0.00 57.85 58.17 3kel n ARG 296 Cb 0.60 -2.50 -0.06 0.00 0.00 0.00 0.00 32.46 30.50 3kel n ARG 296 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3kel s GLU 297 N 0.75 4.55 -0.08 -0.14 2.12 -1.26 -4.32 118.70 120.33 3kel s GLU 297 Ca 0.78 1.14 0.01 0.00 0.36 0.00 0.00 54.97 57.26 3kel s GLU 297 Cb -0.69 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.40 3kel s GLU 297 CO 0.39 0.55 -0.09 -1.21 -0.54 0.00 0.00 175.26 174.37 3kel s GLU 298 N -1.05 2.83 -0.00 4.30 2.02 -1.26 -5.01 118.70 120.53 3kel s GLU 298 Ca 0.36 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.76 3kel s GLU 298 Cb -0.23 -2.58 0.01 0.00 0.10 0.00 0.00 34.13 31.44 3kel s GLU 298 CO 0.26 0.58 0.73 0.27 0.02 0.00 0.00 175.26 177.12 3kel n ASN 299 N 2.47 0.85 -4.76 -0.19 0.23 -1.26 -5.07 115.26 107.52 3kel n ASN 299 Ca -0.18 -1.49 -0.40 0.00 -0.53 0.00 0.00 54.58 51.99 3kel n ASN 299 Cb 0.53 -0.02 -0.06 0.00 -2.08 0.00 0.00 39.78 38.15 3kel n ASN 299 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3kel s ILE 300 N -0.47 4.60 -0.00 1.53 1.01 -1.26 -5.06 121.20 121.54 3kel s ILE 300 Ca 0.01 1.60 0.01 0.00 0.00 0.00 0.00 60.65 62.27 3kel s ILE 300 Cb 0.01 -4.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.38 3kel s ILE 300 CO 0.00 0.45 -0.03 -0.69 0.00 0.00 0.00 174.94 174.67 3kel s VAL 301 N -0.58 0.21 -0.26 2.92 1.01 -1.26 -4.58 120.40 117.85 3kel s VAL 301 Ca 0.36 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.24 3kel s VAL 301 Cb -0.21 -0.18 0.05 0.00 0.00 0.00 0.00 36.38 36.03 3kel s VAL 301 CO 0.24 0.06 -0.08 -0.36 0.00 0.00 0.00 175.10 174.96 3kel s PHE 302 N -0.03 3.19 0.56 5.22 2.99 -1.26 -5.10 117.98 123.53 3kel s PHE 302 Ca 0.01 -1.99 -0.19 0.00 0.00 0.00 0.00 56.93 54.75 3kel s PHE 302 Cb -0.01 -2.00 -0.05 0.00 0.00 0.00 0.00 43.02 40.95 3kel s PHE 302 CO -0.00 -0.82 1.13 -1.21 -0.00 0.00 0.00 175.22 174.31 3kel s GLU 303 N 1.20 3.30 0.66 0.44 2.02 -1.26 -4.52 118.70 120.54 3kel s GLU 303 Ca -0.05 1.58 -0.12 0.00 0.02 0.00 0.00 54.97 56.40 3kel s GLU 303 Cb -0.19 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.03 3kel s GLU 303 CO -0.05 -0.89 1.05 0.14 0.02 0.00 0.00 175.26 175.54 3kel s VAL 304 N -1.85 4.11 0.46 2.63 -7.23 -1.26 -4.96 120.40 112.30 3kel s VAL 304 Ca 0.72 0.75 -0.23 0.00 -1.81 0.00 0.00 61.98 61.41 3kel s VAL 304 Cb -0.23 -3.47 -0.09 0.00 0.56 0.00 0.00 36.38 33.15 3kel s VAL 304 CO 0.29 -0.83 1.12 -0.81 -0.31 0.00 0.00 175.10 174.55 3kel n PRO 305 N -2.82 1.49 -0.35 4.82 -0.04 -1.26 -4.81 135.00 132.04 3kel n PRO 305 Ca 0.07 0.54 0.17 0.00 -0.04 0.00 0.00 63.50 64.25 3kel n PRO 305 Cb 0.53 -2.23 0.39 0.00 -0.04 0.00 0.00 33.50 32.16 3kel n PRO 305 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3kel h LYS 306 N 1.52 0.57 0.00 0.54 2.10 -1.99 0.89 116.57 120.20 3kel h LYS 306 Ca -0.47 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3kel h LYS 306 Cb 1.32 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3kel h LYS 306 CO 0.57 0.38 -0.01 0.93 -2.00 0.00 0.00 179.45 179.31 3kel h GLU 307 N 0.59 0.00 -0.49 0.07 3.07 -2.04 -2.78 114.58 112.99 3kel h GLU 307 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 3kel h GLU 307 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3kel h GLU 307 CO -0.46 0.01 0.00 1.28 -1.40 0.00 0.00 179.01 178.44 3kel n LEU 308 N -3.50 3.33 0.00 1.33 4.77 0.30 -5.08 117.00 118.16 3kel n LEU 308 Ca -0.03 -1.96 0.13 0.00 -0.03 0.00 0.00 56.01 54.13 3kel n LEU 308 Cb 0.10 -0.33 0.78 0.00 -2.33 0.00 0.00 43.42 41.64 3kel n LEU 308 CO 0.25 0.83 0.95 -2.11 -1.33 0.00 0.00 177.39 175.98