#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1poi n TYR 4 N 0.00 -3.75 0.17 -0.67 4.11 -1.26 -3.90 117.16 111.87 1poi n TYR 4 Ca 0.00 -0.07 0.04 0.00 -0.00 0.00 0.00 57.90 57.87 1poi n TYR 4 Cb 0.00 -0.05 0.21 0.00 -0.00 0.00 0.00 39.34 39.50 1poi n TYR 4 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1poi h THR 5 N -0.79 0.00 -2.58 -3.48 1.35 -1.97 -3.35 112.91 102.09 1poi h THR 5 Ca -0.02 0.00 -0.78 0.00 -0.55 0.00 0.00 66.41 65.05 1poi h THR 5 Cb 0.06 0.17 -0.24 0.00 -1.73 0.00 0.00 68.15 66.42 1poi h THR 5 CO 0.02 0.00 1.09 -3.20 -0.25 0.00 0.00 175.52 173.18 1poi n ASN 6 N -1.96 5.74 -4.79 5.36 5.15 -1.26 -5.01 115.26 118.49 1poi n ASN 6 Ca -0.01 -3.20 -0.35 0.00 -0.60 0.00 0.00 54.58 50.42 1poi n ASN 6 Cb 0.52 -1.39 -0.05 0.00 -0.53 0.00 0.00 39.78 38.33 1poi n ASN 6 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1poi s TYR 7 N -1.09 3.28 0.55 1.20 1.13 -1.26 -4.90 117.35 116.25 1poi s TYR 7 Ca 0.35 1.64 -0.02 0.00 -1.41 0.00 0.00 57.07 57.63 1poi s TYR 7 Cb 0.02 -3.02 0.02 0.00 -1.10 0.00 0.00 41.96 37.88 1poi s TYR 7 CO 0.03 -0.44 0.80 0.95 -2.51 0.00 0.00 175.55 174.38 1poi s THR 8 N -1.84 3.24 0.15 -3.49 -4.23 -1.26 -4.94 115.64 103.27 1poi s THR 8 Ca 0.60 -0.42 -0.16 0.00 -1.18 0.00 0.00 61.69 60.52 1poi s THR 8 Cb -0.17 -3.25 0.01 0.00 1.34 0.00 0.00 72.50 70.43 1poi s THR 8 CO 0.22 -0.20 1.81 -1.13 -0.54 0.00 0.00 174.62 174.78 1poi h ASN 9 N 0.03 0.46 -0.75 3.99 -0.73 -1.97 -0.83 115.58 115.79 1poi h ASN 9 Ca -0.44 -0.02 0.03 0.00 1.87 0.00 0.00 56.30 57.74 1poi h ASN 9 Cb 1.28 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 39.71 1poi h ASN 9 CO 0.57 0.34 0.49 0.11 -0.37 0.00 0.00 177.43 178.57 1poi h LYS 10 N 0.53 0.91 -0.54 6.67 1.57 -1.97 -0.15 116.57 123.59 1poi h LYS 10 Ca 0.14 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1poi h LYS 10 Cb -0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1poi h LYS 10 CO -0.03 0.60 0.04 0.93 -0.57 0.00 0.00 179.45 180.42 1poi h GLU 11 N 0.93 0.93 -0.13 3.15 5.08 -1.72 -0.70 114.58 122.12 1poi h GLU 11 Ca 0.29 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1poi h GLU 11 Cb 0.01 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1poi h GLU 11 CO -0.08 0.92 -0.04 1.98 -1.00 0.00 0.00 179.01 180.80 1poi h MET 12 N 0.81 -0.01 -0.72 2.33 4.05 0.15 -1.07 114.93 120.48 1poi h MET 12 Ca 0.16 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.60 1poi h MET 12 Cb 0.48 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.24 1poi h MET 12 CO 0.02 -0.00 0.46 1.96 0.23 0.00 0.00 176.91 179.58 1poi h GLN 13 N -0.01 0.90 0.30 0.39 4.20 -0.79 -2.07 115.11 118.03 1poi h GLN 13 Ca 0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1poi h GLN 13 Cb 0.10 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1poi h GLN 13 CO -0.14 0.59 -0.14 0.00 -0.67 0.00 0.00 178.83 178.47 1poi h ALA 14 N 1.29 -0.40 -0.33 3.87 0.00 -0.56 -0.53 119.26 122.60 1poi h ALA 14 Ca 0.28 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1poi h ALA 14 Cb -0.04 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1poi h ALA 14 CO -0.09 -0.69 0.22 0.28 0.00 0.00 0.00 179.25 178.97 1poi h VAL 15 N -0.47 1.05 -0.34 0.00 2.07 -1.16 0.97 116.25 118.36 1poi h VAL 15 Ca -0.04 -0.14 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 1poi h VAL 15 Cb 0.36 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1poi h VAL 15 CO 0.07 0.07 -0.39 0.74 0.02 0.00 0.00 177.57 178.08 1poi h THR 16 N 0.40 1.28 -0.31 2.57 2.02 -1.16 -1.98 112.91 115.73 1poi h THR 16 Ca 0.13 -1.56 -0.07 0.00 0.77 0.00 0.00 66.41 65.68 1poi h THR 16 Cb 0.03 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1poi h THR 16 CO -0.03 0.51 -0.07 0.40 0.37 0.00 0.00 175.52 176.71 1poi h ILE 17 N 0.67 1.28 -0.57 3.11 2.04 0.14 -2.91 117.51 121.28 1poi h ILE 17 Ca 0.06 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 64.83 1poi h ILE 17 Cb 0.96 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 1poi h ILE 17 CO 0.09 0.35 0.38 0.00 0.00 0.00 0.00 178.15 178.97 1poi h ALA 18 N 0.80 1.65 0.00 1.87 0.00 -0.80 -0.59 119.26 122.18 1poi h ALA 18 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1poi h ALA 18 Cb 0.55 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1poi h ALA 18 CO 0.03 0.31 0.00 1.63 0.00 0.00 0.00 179.25 181.22 1poi n LYS 19 N -4.46 0.72 -0.01 0.00 5.02 -0.75 -2.64 118.16 116.04 1poi n LYS 19 Ca 0.06 0.01 0.10 0.00 -2.02 0.00 0.00 58.31 56.46 1poi n LYS 19 Cb 0.09 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.44 1poi n LYS 19 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1poi n GLN 20 N -1.05 0.52 -2.66 1.97 1.13 -0.23 -4.95 117.38 112.11 1poi n GLN 20 Ca 0.18 -0.14 -0.38 0.00 -1.94 0.00 0.00 57.00 54.72 1poi n GLN 20 Cb 0.11 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 28.91 1poi n GLN 20 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1poi s ILE 21 N -3.34 3.94 0.06 5.09 -1.09 -1.08 -5.06 121.20 119.72 1poi s ILE 21 Ca -0.04 1.65 0.09 0.00 -2.23 0.00 0.00 60.65 60.12 1poi s ILE 21 Cb 0.14 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 1poi s ILE 21 CO 0.88 0.17 -0.24 -0.54 -1.23 0.00 0.00 174.94 173.97 1poi s LYS 22 N -2.00 1.81 0.03 2.79 1.02 -1.26 -4.77 119.74 117.35 1poi s LYS 22 Ca 0.51 -1.12 -0.31 0.00 0.02 0.00 0.00 55.97 55.07 1poi s LYS 22 Cb -0.22 -2.02 -0.09 0.00 -0.52 0.00 0.00 37.83 34.97 1poi s LYS 22 CO 0.28 0.51 1.97 -1.71 -0.92 0.00 0.00 175.35 175.48 1poi n ASN 23 N 1.57 4.10 0.00 2.83 2.85 -1.26 -1.93 115.26 123.43 1poi n ASN 23 Ca -0.17 0.91 0.00 0.00 -0.11 0.00 0.00 54.58 55.21 1poi n ASN 23 Cb 0.52 -1.51 0.00 0.00 1.24 0.00 0.00 39.78 40.03 1poi n ASN 23 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1poi n GLY 24 N 4.54 1.05 3.88 8.20 0.00 0.17 -4.93 105.19 118.10 1poi n GLY 24 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1poi n GLY 24 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1poi s GLN 25 N -0.74 3.78 -0.22 1.61 -2.07 -0.81 -4.75 119.66 116.46 1poi s GLN 25 Ca 0.00 0.27 -0.22 0.00 -1.82 0.00 0.00 55.36 53.59 1poi s GLN 25 Cb 0.00 -2.59 -0.02 0.00 -1.09 0.00 0.00 33.01 29.31 1poi s GLN 25 CO 0.00 0.23 0.70 0.08 -1.32 0.00 0.00 175.29 174.98 1poi s VAL 26 N -1.97 4.95 -0.26 3.63 1.01 -1.12 -0.43 120.40 126.21 1poi s VAL 26 Ca 0.48 1.32 -0.04 0.00 0.00 0.00 0.00 61.98 63.74 1poi s VAL 26 Cb -0.11 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.28 1poi s VAL 26 CO 0.24 0.04 -0.00 -0.69 0.00 0.00 0.00 175.10 174.69 1poi s VAL 27 N 2.29 3.36 -0.11 2.92 1.01 -0.71 -1.33 120.40 127.83 1poi s VAL 27 Ca 0.31 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.19 1poi s VAL 27 Cb -0.16 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1poi s VAL 27 CO 0.10 0.17 0.79 -0.89 0.00 0.00 0.00 175.10 175.26 1poi s THR 28 N 1.41 4.95 0.37 3.92 2.01 -0.63 -1.13 115.64 126.53 1poi s THR 28 Ca 0.02 1.58 0.06 0.00 0.31 0.00 0.00 61.69 63.65 1poi s THR 28 Cb -0.17 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1poi s THR 28 CO -0.02 0.13 0.22 0.68 -0.69 0.00 0.00 174.62 174.95 1poi s VAL 29 N 1.50 0.21 0.00 3.82 -7.23 -0.73 -2.07 120.40 115.89 1poi s VAL 29 Ca 0.39 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1poi s VAL 29 Cb -0.17 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1poi s VAL 29 CO 0.16 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 1poi n GLY 30 N -0.75 5.45 3.74 2.32 0.00 -1.26 -4.26 105.19 110.43 1poi n GLY 30 Ca 0.02 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 1poi n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1poi s THR 31 N 2.60 2.17 0.00 2.61 -4.23 -1.26 -4.24 115.64 113.29 1poi s THR 31 Ca 0.00 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 1poi s THR 31 Cb 0.00 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1poi s THR 31 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1poi n GLY 32 N -1.25 0.23 0.20 3.99 0.00 -1.26 -4.45 105.19 102.65 1poi n GLY 32 Ca -0.02 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 1poi n GLY 32 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1poi h LEU 33 N 0.00 0.58 -0.68 0.99 3.38 -1.97 -0.69 115.31 116.92 1poi h LEU 33 Ca 0.00 -0.12 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1poi h LEU 33 Cb 0.00 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 1poi h LEU 33 CO 0.00 0.53 0.28 -0.65 0.09 0.00 0.00 178.44 178.69 1poi h PRO 34 N 0.58 0.45 -0.32 1.13 0.11 -1.92 0.70 132.00 132.72 1poi h PRO 34 Ca 0.15 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.25 1poi h PRO 34 Cb 0.10 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1poi h PRO 34 CO -0.02 0.30 0.18 1.25 -0.21 0.00 0.00 178.00 179.50 1poi h LEU 35 N 0.46 0.29 -1.54 2.35 5.85 -1.63 0.38 115.31 121.48 1poi h LEU 35 Ca 0.36 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.03 1poi h LEU 35 Cb 0.47 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1poi h LEU 35 CO -0.34 0.21 -0.22 0.40 -0.34 0.00 0.00 178.44 178.16 1poi h ILE 36 N 0.38 1.16 0.22 4.05 1.08 -0.12 -0.32 117.51 123.96 1poi h ILE 36 Ca 0.13 -0.77 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 1poi h ILE 36 Cb 0.01 1.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1poi h ILE 36 CO -0.07 0.22 -0.11 1.23 -0.69 0.00 0.00 178.15 178.74 1poi h GLY 37 N 0.68 -0.31 0.87 5.37 0.00 0.31 -2.25 103.07 107.74 1poi h GLY 37 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.47 1poi h GLY 37 CO 0.03 -0.11 0.36 0.00 0.00 0.00 0.00 176.54 176.81 1poi h ALA 38 N -0.10 0.76 0.03 3.60 0.00 -0.22 -1.69 119.26 121.64 1poi h ALA 38 Ca -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1poi h ALA 38 Cb 0.49 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1poi h ALA 38 CO 0.05 0.09 -0.21 0.77 0.00 0.00 0.00 179.25 179.95 1poi h SER 39 N 0.70 -0.61 -0.45 0.00 0.02 -1.09 0.11 113.55 112.24 1poi h SER 39 Ca 0.24 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1poi h SER 39 Cb 0.02 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1poi h SER 39 CO -0.10 -0.28 0.24 0.58 -1.14 0.00 0.00 176.83 176.13 1poi h VAL 40 N -0.35 1.16 0.66 2.27 2.07 -1.15 0.16 116.25 121.07 1poi h VAL 40 Ca 0.05 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1poi h VAL 40 Cb 0.41 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1poi h VAL 40 CO -0.17 0.18 -0.32 0.00 0.02 0.00 0.00 177.57 177.28 1poi h ALA 41 N 1.61 -0.92 -0.80 1.67 0.00 -0.81 0.13 119.26 120.13 1poi h ALA 41 Ca 0.17 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.07 1poi h ALA 41 Cb 0.05 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.04 1poi h ALA 41 CO -0.03 -0.86 -0.01 -0.22 0.00 0.00 0.00 179.25 178.13 1poi h LYS 42 N -1.18 0.08 0.00 0.00 1.63 -0.55 0.22 116.57 116.76 1poi h LYS 42 Ca -0.09 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.65 1poi h LYS 42 Cb 0.68 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 1poi h LYS 42 CO 0.15 0.05 -0.26 -0.09 -3.45 0.00 0.00 179.45 175.85 1poi h ARG 43 N 0.08 0.00 0.00 1.90 2.43 -1.00 -3.20 114.38 114.59 1poi h ARG 43 Ca 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1poi h ARG 43 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1poi h ARG 43 CO -0.73 0.26 0.00 0.28 -1.51 0.00 0.00 179.97 178.27 1poi n VAL 44 N -3.17 0.00 -0.15 0.20 0.31 0.51 -4.92 118.33 111.11 1poi n VAL 44 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 1poi n VAL 44 Cb 0.63 -0.64 -0.01 0.00 -0.91 0.00 0.00 33.84 32.91 1poi n VAL 44 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1poi h TYR 45 N 0.00 1.05 -2.21 3.52 0.05 -1.01 -3.40 116.97 114.98 1poi h TYR 45 Ca 0.00 -0.25 -0.51 0.00 0.05 0.00 0.00 58.73 58.01 1poi h TYR 45 Cb 0.00 -0.25 -0.35 0.00 1.01 0.00 0.00 36.73 37.14 1poi h TYR 45 CO 0.00 1.05 -0.86 0.00 -1.05 0.00 0.00 178.16 177.30 1poi s ALA 46 N -4.68 0.68 0.49 3.88 0.00 0.28 -4.79 121.76 117.62 1poi s ALA 46 Ca -0.12 -1.92 0.21 0.00 0.00 0.00 0.00 51.96 50.14 1poi s ALA 46 Cb 0.11 -1.77 1.25 0.00 0.00 0.00 0.00 23.12 22.71 1poi s ALA 46 CO 0.85 -2.05 1.96 -1.00 0.00 0.00 0.00 175.76 175.52 1poi h PRO 47 N 6.04 0.17 -2.28 0.00 0.13 -1.66 -3.11 132.00 131.29 1poi h PRO 47 Ca 0.18 -0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.63 1poi h PRO 47 Cb 0.96 -0.04 -0.37 0.00 0.13 0.00 0.00 31.00 31.68 1poi h PRO 47 CO 0.29 0.12 -0.09 -0.40 -0.23 0.00 0.00 178.00 177.68 1poi n ASP 48 N -4.42 5.42 -4.65 1.44 5.75 -1.26 -4.87 116.55 113.96 1poi n ASP 48 Ca 0.12 -3.68 -0.24 0.00 -0.01 0.00 0.00 54.79 50.97 1poi n ASP 48 Cb 0.59 -0.76 -0.07 0.00 -1.03 0.00 0.00 41.12 39.84 1poi n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1poi s HIS 50 N -2.08 3.39 0.26 0.00 3.76 0.42 -4.91 115.29 116.14 1poi s HIS 50 Ca 0.30 -2.40 -0.29 0.00 -0.15 0.00 0.00 55.06 52.52 1poi s HIS 50 Cb -0.08 -2.23 -0.09 0.00 1.11 0.00 0.00 32.58 31.29 1poi s HIS 50 CO 0.19 -0.89 1.21 0.42 -0.85 0.00 0.00 174.74 174.83 1poi s ILE 51 N 1.09 3.23 -0.04 0.60 1.01 -1.26 -1.73 121.20 124.09 1poi s ILE 51 Ca -0.03 1.15 -0.02 0.00 0.00 0.00 0.00 60.65 61.75 1poi s ILE 51 Cb -0.20 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.56 1poi s ILE 51 CO -0.05 0.24 0.09 0.27 0.00 0.00 0.00 174.94 175.49 1poi s ILE 52 N -0.73 -0.03 0.25 2.92 -4.36 -0.28 -0.97 121.20 117.99 1poi s ILE 52 Ca 0.49 0.09 0.09 0.00 -0.26 0.00 0.00 60.65 61.07 1poi s ILE 52 Cb -0.35 -0.14 -0.04 0.00 1.25 0.00 0.00 42.46 43.17 1poi s ILE 52 CO 0.43 0.04 -0.02 0.68 0.24 0.00 0.00 174.94 176.31 1poi s VAL 53 N 0.57 3.40 -1.85 8.37 -7.23 -1.04 -1.77 120.40 120.85 1poi s VAL 53 Ca -0.04 -1.85 0.10 0.00 -1.81 0.00 0.00 61.98 58.37 1poi s VAL 53 Cb -0.06 -2.79 0.26 0.00 0.56 0.00 0.00 36.38 34.35 1poi s VAL 53 CO -0.02 -0.32 1.10 -1.84 -0.31 0.00 0.00 175.10 173.71 1poi n GLU 54 N -0.69 0.28 0.11 4.82 0.28 -1.26 -2.24 120.64 121.94 1poi n GLU 54 Ca -0.07 0.05 0.04 0.00 -0.16 0.00 0.00 57.16 57.02 1poi n GLU 54 Cb 0.58 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.95 1poi n GLU 54 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1poi h SER 55 N 0.00 0.00 0.00 -1.84 4.64 -1.93 -3.47 113.55 110.95 1poi h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1poi h SER 55 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1poi h SER 55 CO 0.00 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 1poi n GLY 56 N 1.26 1.58 3.48 -0.77 0.00 -0.95 -3.67 105.19 106.11 1poi n GLY 56 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1poi n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1poi s LEU 57 N 0.00 4.79 0.21 0.99 1.43 -1.25 0.21 118.68 125.06 1poi s LEU 57 Ca 0.00 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 1poi s LEU 57 Cb 0.00 -2.53 -0.07 0.00 0.03 0.00 0.00 46.19 43.62 1poi s LEU 57 CO 0.00 -0.80 0.54 -0.04 0.23 0.00 0.00 176.35 176.28 1poi s MET 58 N 2.61 3.84 -0.83 1.70 -1.94 -0.50 -2.51 119.30 121.67 1poi s MET 58 Ca 0.17 0.32 -0.02 0.00 -1.71 0.00 0.00 55.69 54.45 1poi s MET 58 Cb -0.17 -2.72 0.00 0.00 2.01 0.00 0.00 34.83 33.95 1poi s MET 58 CO 0.15 0.36 0.64 -3.47 -0.01 0.00 0.00 175.02 172.69 1poi n ASP 59 N 0.09 -5.71 -4.86 3.03 2.03 -0.15 -1.92 116.55 109.06 1poi n ASP 59 Ca -0.01 -0.72 -0.32 0.00 0.52 0.00 0.00 54.79 54.26 1poi n ASP 59 Cb 0.52 -2.81 -0.05 0.00 -0.72 0.00 0.00 41.12 38.06 1poi n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1poi s SER 61 N -2.58 -0.51 0.67 0.00 0.15 -0.04 -4.39 113.70 107.00 1poi s SER 61 Ca 0.52 -1.96 -0.15 0.00 0.70 0.00 0.00 55.95 55.05 1poi s SER 61 Cb -0.10 1.21 0.01 0.00 -1.71 0.00 0.00 66.02 65.42 1poi s SER 61 CO 0.23 -0.11 1.12 -2.84 1.20 0.00 0.00 173.24 172.84 1poi s PRO 62 N 0.81 2.68 -0.15 5.44 0.02 -1.26 -4.77 135.00 137.77 1poi s PRO 62 Ca 0.28 1.44 -0.15 0.00 0.02 0.00 0.00 61.00 62.60 1poi s PRO 62 Cb -0.01 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 1poi s PRO 62 CO -0.09 -1.36 -0.29 0.28 -0.33 0.00 0.00 177.00 175.22 1poi n VAL 63 N -2.49 1.24 -4.15 3.83 0.31 -1.26 -4.94 118.33 110.87 1poi n VAL 63 Ca 0.11 0.20 -0.33 0.00 -0.01 0.00 0.00 64.34 64.31 1poi n VAL 63 Cb 0.52 -2.21 -0.08 0.00 -0.91 0.00 0.00 33.84 31.17 1poi n VAL 63 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1poi s GLU 64 N -2.58 3.01 0.18 5.55 2.12 -1.26 -4.90 118.70 120.82 1poi s GLU 64 Ca -0.24 -0.49 -0.32 0.00 0.36 0.00 0.00 54.97 54.28 1poi s GLU 64 Cb 0.03 -2.83 -0.10 0.00 0.26 0.00 0.00 34.13 31.49 1poi s GLU 64 CO 0.35 0.65 1.60 0.14 -0.54 0.00 0.00 175.26 177.47 1poi s VAL 65 N -1.14 2.49 0.34 3.70 -7.23 -1.26 -4.88 120.40 112.42 1poi s VAL 65 Ca 0.21 0.35 -0.27 0.00 -1.81 0.00 0.00 61.98 60.46 1poi s VAL 65 Cb -0.12 -3.23 -0.09 0.00 0.56 0.00 0.00 36.38 33.50 1poi s VAL 65 CO 0.12 0.03 1.11 -2.84 -0.31 0.00 0.00 175.10 173.20 1poi s PRO 66 N 1.13 4.37 0.00 4.82 0.02 -1.26 -4.96 135.00 139.12 1poi s PRO 66 Ca 0.71 1.74 0.23 0.00 0.02 0.00 0.00 61.00 63.70 1poi s PRO 66 Cb -0.45 -2.89 0.09 0.00 0.02 0.00 0.00 34.50 31.27 1poi s PRO 66 CO 0.31 -0.01 1.13 0.54 -0.33 0.00 0.00 177.00 178.64 1poi n ARG 67 N 0.58 0.12 -4.18 5.54 5.12 -1.26 -4.78 116.66 117.81 1poi n ARG 67 Ca 0.02 -0.09 -0.13 0.00 -1.93 0.00 0.00 57.85 55.72 1poi n ARG 67 Cb 0.46 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.18 1poi n ARG 67 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1poi s SER 68 N -2.94 0.33 0.24 0.55 0.15 -1.26 -4.94 113.70 105.82 1poi s SER 68 Ca 0.11 -1.37 0.24 0.00 0.70 0.00 0.00 55.95 55.62 1poi s SER 68 Cb 0.17 0.44 0.34 0.00 -1.71 0.00 0.00 66.02 65.26 1poi s SER 68 CO 0.77 -0.93 1.40 -0.37 1.20 0.00 0.00 173.24 175.32 1poi h VAL 69 N 2.49 0.00 -0.36 4.45 -1.51 -1.94 -3.23 116.25 116.15 1poi h VAL 69 Ca -0.33 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.39 1poi h VAL 69 Cb 1.25 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 1poi h VAL 69 CO 0.48 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.43 1poi n GLY 70 N 1.23 1.69 3.65 5.19 0.00 -1.26 -4.58 105.19 111.12 1poi n GLY 70 Ca 0.03 -0.66 -0.45 0.00 0.00 0.00 0.00 46.02 44.93 1poi n GLY 70 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1poi n ASP 71 N 1.31 2.38 0.31 1.61 -0.08 -1.22 -4.69 116.55 116.17 1poi n ASP 71 Ca 0.17 1.15 0.19 0.00 -1.51 0.00 0.00 54.79 54.80 1poi n ASP 71 Cb 0.56 -1.38 1.01 0.00 2.34 0.00 0.00 41.12 43.65 1poi n ASP 71 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1poi h LEU 72 N 3.79 0.00 -2.00 -2.67 3.38 -1.95 0.35 115.31 116.22 1poi h LEU 72 Ca -0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1poi h LEU 72 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1poi h LEU 72 CO 0.73 0.00 -0.01 0.03 0.09 0.00 0.00 178.44 179.28 1poi h ARG 73 N 0.00 0.00 0.00 1.13 3.08 -1.90 -0.50 114.38 116.19 1poi h ARG 73 Ca 0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 1poi h ARG 73 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1poi h ARG 73 CO -0.00 0.01 -1.45 1.19 -1.07 0.00 0.00 179.97 178.65 1poi n PHE 74 N -3.12 0.14 -0.23 3.04 3.72 0.11 -4.38 117.46 116.74 1poi n PHE 74 Ca -0.01 0.06 -0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1poi n PHE 74 Cb 0.23 -0.71 0.07 0.00 -0.94 0.00 0.00 39.48 38.12 1poi n PHE 74 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1poi h MET 75 N -1.00 -0.02 0.00 -1.08 4.05 -1.15 0.29 114.93 116.03 1poi h MET 75 Ca -0.24 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 1poi h MET 75 Cb 1.16 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 1poi h MET 75 CO -0.14 -0.01 0.00 0.00 0.23 0.00 0.00 176.91 176.99 1poi n ALA 76 N -3.14 2.27 -3.12 0.39 0.00 -0.20 -3.95 120.51 112.76 1poi n ALA 76 Ca 0.08 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1poi n ALA 76 Cb 0.35 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 1poi n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1poi n HIS 77 N -1.16 1.37 -4.13 0.00 -0.00 0.10 -5.08 115.22 106.32 1poi n HIS 77 Ca 0.14 -3.87 -0.12 0.00 -0.00 0.00 0.00 57.72 53.87 1poi n HIS 77 Cb 0.14 -0.44 -0.07 0.00 -0.00 0.00 0.00 29.99 29.61 1poi n HIS 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1poi h GLY 79 N 2.37 0.00 -5.32 0.00 0.00 -0.58 -3.48 103.07 96.07 1poi h GLY 79 Ca -0.31 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.06 1poi h GLY 79 CO 0.44 0.00 0.34 0.00 0.00 0.00 0.00 176.54 177.32 1poi s ILE 81 N 0.42 4.48 0.15 0.00 1.01 -1.26 -1.40 121.20 124.59 1poi s ILE 81 Ca 0.01 -1.24 0.04 0.00 0.00 0.00 0.00 60.65 59.46 1poi s ILE 81 Cb -0.05 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1poi s ILE 81 CO -0.06 -0.47 0.18 0.26 0.00 0.00 0.00 174.94 174.86 1poi s TRP 82 N 1.49 3.27 0.79 3.97 0.51 0.13 -5.01 118.94 124.09 1poi s TRP 82 Ca 0.03 0.04 -0.12 0.00 -2.12 0.00 0.00 56.10 53.92 1poi s TRP 82 Cb -0.23 -1.57 0.07 0.00 -0.81 0.00 0.00 33.47 30.93 1poi s TRP 82 CO 0.04 0.52 1.15 -2.14 -0.51 0.00 0.00 176.95 176.01 1poi s PRO 83 N -3.09 1.88 0.14 4.98 0.02 -1.26 -4.28 135.00 133.40 1poi s PRO 83 Ca 0.32 1.50 -0.25 0.00 0.02 0.00 0.00 61.00 62.60 1poi s PRO 83 Cb -0.11 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.59 1poi s PRO 83 CO 0.25 -1.98 1.61 -0.91 -0.33 0.00 0.00 177.00 175.64 1poi h ASN 84 N -0.97 -0.98 -0.84 2.53 2.35 -1.91 -1.58 115.58 114.18 1poi h ASN 84 Ca -0.45 0.15 0.24 0.00 -0.55 0.00 0.00 56.30 55.69 1poi h ASN 84 Cb 1.26 0.43 -0.03 0.00 0.05 0.00 0.00 38.32 40.03 1poi h ASN 84 CO 0.48 -0.34 0.60 -0.37 -1.65 0.00 0.00 177.43 176.15 1poi h VAL 85 N -0.35 0.59 0.00 2.81 -1.51 -1.90 0.27 116.25 116.15 1poi h VAL 85 Ca 0.11 -0.01 -0.01 0.00 -1.23 0.00 0.00 66.70 65.57 1poi h VAL 85 Cb 0.53 0.57 -0.00 0.00 -2.13 0.00 0.00 31.29 30.26 1poi h VAL 85 CO -0.39 0.00 -0.06 0.03 -1.23 0.00 0.00 177.57 175.92 1poi h ARG 86 N 0.02 0.00 -0.23 5.19 3.08 -1.63 -1.87 114.38 118.93 1poi h ARG 86 Ca 0.40 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.27 1poi h ARG 86 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.63 1poi h ARG 86 CO -0.01 0.06 -0.56 0.35 -1.07 0.00 0.00 179.97 178.73 1poi h PHE 87 N 0.00 1.02 0.72 3.04 3.57 -0.50 0.31 116.94 125.09 1poi h PHE 87 Ca -0.00 -0.39 -0.04 0.00 3.53 0.00 0.00 57.97 61.08 1poi h PHE 87 Cb 0.60 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.17 1poi h PHE 87 CO 0.00 1.20 -0.34 0.28 -2.23 0.00 0.00 178.31 177.22 1poi h VAL 88 N 0.54 0.27 -0.94 1.41 2.07 -1.48 -2.19 116.25 115.92 1poi h VAL 88 Ca -0.00 -0.08 0.19 0.00 0.82 0.00 0.00 66.70 67.63 1poi h VAL 88 Cb 1.18 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 1poi h VAL 88 CO 0.12 0.01 0.60 1.23 0.02 0.00 0.00 177.57 179.56 1poi h GLY 89 N -1.02 1.21 0.87 2.17 0.00 -1.35 -1.18 103.07 103.77 1poi h GLY 89 Ca -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1poi h GLY 89 CO 0.16 -0.01 -0.20 -2.75 0.00 0.00 0.00 176.54 173.74 1poi h PHE 90 N 0.56 -0.52 -0.86 5.60 3.57 -0.62 -0.02 116.94 124.64 1poi h PHE 90 Ca 0.50 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 62.02 1poi h PHE 90 Cb 1.03 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.90 1poi h PHE 90 CO -0.00 -0.25 0.57 1.05 -2.23 0.00 0.00 178.31 177.44 1poi h GLU 91 N -0.70 1.08 -0.13 1.11 4.11 -0.72 0.20 114.58 119.53 1poi h GLU 91 Ca -0.06 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 1poi h GLU 91 Cb 0.51 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1poi h GLU 91 CO 0.09 0.72 0.03 0.82 0.07 0.00 0.00 179.01 180.74 1poi h ILE 92 N 1.12 1.20 -0.79 -1.06 2.04 -1.15 -3.00 117.51 115.87 1poi h ILE 92 Ca 0.33 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1poi h ILE 92 Cb -0.04 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1poi h ILE 92 CO -0.09 0.19 0.43 0.78 0.00 0.00 0.00 178.15 179.45 1poi h ASN 93 N 0.02 0.98 -0.92 1.72 2.35 -0.17 -1.02 115.58 118.52 1poi h ASN 93 Ca 0.04 -0.08 0.17 0.00 -0.55 0.00 0.00 56.30 55.88 1poi h ASN 93 Cb 0.26 -0.25 -0.10 0.00 0.05 0.00 0.00 38.32 38.28 1poi h ASN 93 CO 0.00 0.79 0.52 -0.33 -1.65 0.00 0.00 177.43 176.76 1poi h GLU 94 N 1.10 0.67 0.34 0.81 4.39 -0.50 0.48 114.58 121.87 1poi h GLU 94 Ca 0.28 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 1poi h GLU 94 Cb 0.03 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1poi h GLU 94 CO -0.04 0.44 -0.16 -0.92 -1.16 0.00 0.00 179.01 177.17 1poi h TYR 95 N 0.69 -0.43 -1.01 4.33 3.20 -1.24 -1.29 116.97 121.22 1poi h TYR 95 Ca 0.52 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.61 1poi h TYR 95 Cb 0.77 0.14 -0.11 0.00 1.54 0.00 0.00 36.73 39.07 1poi h TYR 95 CO -0.05 -0.13 0.62 -0.07 -1.64 0.00 0.00 178.16 176.89 1poi h LEU 96 N -1.01 0.65 -0.46 2.82 -0.00 -0.45 1.01 115.31 117.86 1poi h LEU 96 Ca -0.05 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1poi h LEU 96 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1poi h LEU 96 CO 0.08 0.15 0.00 0.45 -0.00 0.00 0.00 178.44 179.12 1poi h HIS 97 N 0.59 0.00 -5.60 1.13 3.86 -0.09 -3.46 115.15 111.58 1poi h HIS 97 Ca 0.61 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.48 1poi h HIS 97 Cb 1.19 0.00 0.16 0.00 1.06 0.00 0.00 27.41 29.82 1poi h HIS 97 CO -0.00 0.00 -0.73 1.63 0.86 0.00 0.00 177.93 179.68 1poi n LYS 98 N -2.64 -6.76 0.15 2.45 5.02 0.35 -4.87 118.16 111.85 1poi n LYS 98 Ca 0.03 0.83 0.01 0.00 -2.02 0.00 0.00 58.31 57.16 1poi n LYS 98 Cb 0.39 -5.80 0.18 0.00 -0.02 0.00 0.00 35.03 29.78 1poi n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1poi h ALA 99 N 0.90 0.87 -6.45 7.82 0.00 -1.45 -3.48 119.26 117.46 1poi h ALA 99 Ca -0.57 -0.51 -0.36 0.00 0.00 0.00 0.00 54.91 53.47 1poi h ALA 99 Cb 1.34 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.06 1poi h ALA 99 CO 0.50 0.70 -1.16 -1.71 0.00 0.00 0.00 179.25 177.58 1poi n ASN 100 N -3.58 -5.71 0.00 0.00 5.15 -1.26 -4.87 115.26 104.99 1poi n ASN 100 Ca -0.00 -0.09 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 1poi n ASN 100 Cb 0.63 -1.95 0.00 0.00 -0.53 0.00 0.00 39.78 37.93 1poi n ASN 100 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1poi n ARG 101 N -0.17 0.28 -2.31 1.20 1.85 -1.26 -5.10 116.66 111.14 1poi n ARG 101 Ca -0.07 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.37 1poi n ARG 101 Cb 0.67 -0.03 -0.03 0.00 -1.05 0.00 0.00 32.46 32.01 1poi n ARG 101 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1poi s LEU 102 N -0.22 4.41 -0.07 2.89 2.96 -1.26 -2.77 118.68 124.63 1poi s LEU 102 Ca 0.00 2.25 -0.01 0.00 -0.22 0.00 0.00 54.13 56.14 1poi s LEU 102 Cb 0.00 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.12 1poi s LEU 102 CO 0.00 -0.47 0.00 -0.51 -1.32 0.00 0.00 176.35 174.05 1poi s ILE 103 N 0.39 0.35 0.02 6.68 1.10 -0.44 -4.25 121.20 125.05 1poi s ILE 103 Ca 0.57 0.13 0.07 0.00 -0.51 0.00 0.00 60.65 60.90 1poi s ILE 103 Cb -0.34 -0.51 -0.03 0.00 0.15 0.00 0.00 42.46 41.74 1poi s ILE 103 CO 0.35 0.25 -0.18 0.00 -2.11 0.00 0.00 174.94 173.24 1poi s ALA 104 N 1.93 2.55 -0.07 1.50 0.00 -0.48 -1.60 121.76 125.59 1poi s ALA 104 Ca 0.04 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 1poi s ALA 104 Cb -0.12 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1poi s ALA 104 CO -0.05 0.56 0.22 -0.06 0.00 0.00 0.00 175.76 176.44 1poi s PHE 105 N -0.84 3.63 0.17 0.00 0.40 -0.88 -1.55 117.98 118.90 1poi s PHE 105 Ca 0.13 0.64 0.04 0.00 -0.60 0.00 0.00 56.93 57.14 1poi s PHE 105 Cb -0.10 -2.02 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 1poi s PHE 105 CO 0.03 0.70 0.15 0.44 0.70 0.00 0.00 175.22 177.24 1poi n ILE 106 N 1.78 0.00 -3.78 0.64 -5.35 -0.88 -4.82 119.36 106.96 1poi n ILE 106 Ca -0.17 -1.24 -0.04 0.00 -0.27 0.00 0.00 62.75 61.03 1poi n ILE 106 Cb 0.54 0.62 -0.01 0.00 -1.74 0.00 0.00 39.64 39.05 1poi n ILE 106 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1poi s GLY 107 N -2.19 -0.18 0.04 3.28 0.00 -1.26 -1.50 107.32 105.50 1poi s GLY 107 Ca 0.20 0.03 -0.10 0.00 0.00 0.00 0.00 44.72 44.85 1poi s GLY 107 CO 0.14 0.13 0.48 0.61 0.00 0.00 0.00 173.10 174.46 1poi n GLY 108 N -0.49 0.75 0.11 0.20 0.00 -1.24 -4.80 105.19 99.72 1poi n GLY 108 Ca -0.06 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1poi n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1poi h ALA 109 N 2.00 0.57 -2.24 4.61 0.00 0.66 -3.46 119.26 121.40 1poi h ALA 109 Ca -0.10 -1.39 -0.20 0.00 0.00 0.00 0.00 54.91 53.22 1poi h ALA 109 Cb 0.49 0.55 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 1poi h ALA 109 CO 0.14 1.42 -0.69 -0.65 0.00 0.00 0.00 179.25 179.47 1poi s GLN 110 N -2.59 0.78 -0.11 0.00 -0.21 -1.18 -4.66 119.66 111.70 1poi s GLN 110 Ca -0.12 -1.31 -0.09 0.00 0.02 0.00 0.00 55.36 53.86 1poi s GLN 110 Cb 0.07 -0.09 0.04 0.00 1.00 0.00 0.00 33.01 34.03 1poi s GLN 110 CO 0.81 -0.05 0.29 -1.50 -2.12 0.00 0.00 175.29 172.72 1poi s ILE 111 N -3.71 -0.01 0.43 1.08 2.07 -0.50 -2.16 121.20 118.39 1poi s ILE 111 Ca 0.11 0.05 0.08 0.00 -1.41 0.00 0.00 60.65 59.48 1poi s ILE 111 Cb 0.06 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.24 1poi s ILE 111 CO -0.06 0.02 0.53 1.51 -1.91 0.00 0.00 174.94 175.03 1poi s ASP 112 N 0.59 5.47 0.50 4.50 1.47 -0.92 -2.29 116.67 125.99 1poi s ASP 112 Ca -0.04 -0.53 0.17 0.00 1.18 0.00 0.00 52.55 53.33 1poi s ASP 112 Cb -0.05 -0.57 0.93 0.00 -0.34 0.00 0.00 42.92 42.89 1poi s ASP 112 CO -0.03 -0.77 1.46 -0.65 0.68 0.00 0.00 175.17 175.86 1poi h PRO 113 N 0.71 0.00 -0.54 2.11 0.11 -1.84 -0.00 132.00 132.56 1poi h PRO 113 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1poi h PRO 113 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1poi h PRO 113 CO 0.48 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.93 1poi n TYR 114 N -2.40 0.82 0.00 0.65 4.01 -1.26 -0.73 117.16 118.24 1poi n TYR 114 Ca -0.01 -0.53 0.00 0.00 -0.16 0.00 0.00 57.90 57.20 1poi n TYR 114 Cb 0.45 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1poi n TYR 114 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1poi n GLY 115 N 0.99 2.06 3.70 2.72 0.00 -0.01 0.10 105.19 114.75 1poi n GLY 115 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1poi n GLY 115 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1poi n ASN 116 N 0.00 3.15 -4.29 1.61 3.02 -1.26 -4.48 115.26 113.02 1poi n ASN 116 Ca 0.00 1.16 -0.27 0.00 -0.03 0.00 0.00 54.58 55.45 1poi n ASN 116 Cb 0.00 -1.50 -0.14 0.00 -0.61 0.00 0.00 39.78 37.53 1poi n ASN 116 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1poi s VAL 117 N -0.30 1.82 -0.13 2.41 1.01 -0.82 -2.16 120.40 122.23 1poi s VAL 117 Ca 0.64 -1.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 1poi s VAL 117 Cb -0.58 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1poi s VAL 117 CO 0.53 0.20 -0.13 0.21 0.00 0.00 0.00 175.10 175.91 1poi s ASN 118 N -1.35 4.01 0.00 3.32 2.47 -0.92 -1.45 114.94 121.02 1poi s ASN 118 Ca 0.09 -0.33 0.00 0.00 0.42 0.00 0.00 52.86 53.03 1poi s ASN 118 Cb -0.09 -1.62 0.00 0.00 -1.45 0.00 0.00 41.25 38.09 1poi s ASN 118 CO 0.02 0.15 0.19 -1.54 -3.72 0.00 0.00 177.10 172.21 1poi n SER 119 N 3.60 0.27 -0.05 -4.21 3.41 -1.26 0.13 113.62 115.50 1poi n SER 119 Ca -0.18 -1.03 -0.03 0.00 -0.26 0.00 0.00 58.87 57.37 1poi n SER 119 Cb 0.53 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1poi n SER 119 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1poi h THR 120 N 0.97 0.00 -1.81 6.66 2.02 -1.91 -3.28 112.91 115.55 1poi h THR 120 Ca 0.00 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 1poi h THR 120 Cb 0.45 0.00 -0.21 0.00 -1.74 0.00 0.00 68.15 66.65 1poi h THR 120 CO 0.00 0.00 0.34 -0.94 0.37 0.00 0.00 175.52 175.29 1poi s SER 121 N -5.30 -0.54 -0.25 4.18 1.04 -1.26 -0.19 113.70 111.38 1poi s SER 121 Ca -0.10 0.60 -0.09 0.00 0.48 0.00 0.00 55.95 56.84 1poi s SER 121 Cb 0.01 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 1poi s SER 121 CO 0.14 -0.49 0.13 -0.63 0.98 0.00 0.00 173.24 173.38 1poi s ILE 122 N -1.13 5.03 0.00 -1.02 1.01 -0.03 -4.49 121.20 120.57 1poi s ILE 122 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1poi s ILE 122 Cb -0.00 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1poi s ILE 122 CO 0.06 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1poi n GLY 123 N 4.54 -1.78 3.56 6.18 0.00 -1.26 -0.26 105.19 116.17 1poi n GLY 123 Ca -0.15 -1.95 -0.49 0.00 0.00 0.00 0.00 46.02 43.43 1poi n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1poi n ASP 124 N 0.08 2.77 -0.27 1.61 2.03 -1.26 -4.80 116.55 116.71 1poi n ASP 124 Ca 0.00 0.58 0.07 0.00 0.52 0.00 0.00 54.79 55.96 1poi n ASP 124 Cb 0.00 -1.35 0.20 0.00 -0.72 0.00 0.00 41.12 39.26 1poi n ASP 124 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1poi h TYR 125 N 11.67 0.16 0.00 -0.67 3.20 -1.89 0.37 116.97 129.81 1poi h TYR 125 Ca -0.38 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1poi h TYR 125 Cb 1.29 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.61 1poi h TYR 125 CO 0.92 -0.18 0.00 0.72 -1.64 0.00 0.00 178.16 177.98 1poi n HIS 126 N -5.25 0.30 -2.84 -3.82 8.25 -1.26 -3.75 115.22 106.85 1poi n HIS 126 Ca 0.16 0.11 -0.11 0.00 -0.26 0.00 0.00 57.72 57.62 1poi n HIS 126 Cb 0.53 -0.68 0.04 0.00 1.12 0.00 0.00 29.99 30.99 1poi n HIS 126 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1poi n HIS 127 N -1.77 -2.56 -0.91 4.41 8.25 0.08 -5.15 115.22 117.57 1poi n HIS 127 Ca 0.04 -2.25 -0.32 0.00 -0.26 0.00 0.00 57.72 54.93 1poi n HIS 127 Cb 0.23 1.16 0.15 0.00 1.12 0.00 0.00 29.99 32.65 1poi n HIS 127 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1poi s PRO 128 N 0.11 1.34 -0.11 -0.41 0.04 0.11 -4.26 135.00 131.82 1poi s PRO 128 Ca 0.31 1.63 -0.17 0.00 0.04 0.00 0.00 61.00 62.81 1poi s PRO 128 Cb 0.24 -1.76 -0.27 0.00 0.04 0.00 0.00 34.50 32.76 1poi s PRO 128 CO -0.17 -2.41 0.57 -0.22 0.04 0.00 0.00 177.00 174.81 1poi h LYS 129 N -1.41 0.23 -3.66 4.56 3.64 -0.88 -3.45 116.57 115.60 1poi h LYS 129 Ca -0.44 -0.39 -0.45 0.00 -1.27 0.00 0.00 60.65 58.10 1poi h LYS 129 Cb 1.28 0.14 -0.38 0.00 -0.41 0.00 0.00 32.23 32.86 1poi h LYS 129 CO 0.44 1.19 -0.77 0.99 -2.27 0.00 0.00 179.45 179.03 1poi s THR 130 N -2.46 0.38 -0.15 1.00 2.01 -1.04 -5.00 115.64 110.38 1poi s THR 130 Ca -0.20 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1poi s THR 130 Cb 0.04 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 1poi s THR 130 CO 0.76 0.19 0.21 -0.60 -0.69 0.00 0.00 174.62 174.49 1poi s ARG 131 N 1.97 4.00 0.05 4.92 6.06 -1.26 -0.85 118.95 133.83 1poi s ARG 131 Ca 0.04 -0.03 0.00 0.00 -2.50 0.00 0.00 55.73 53.24 1poi s ARG 131 Cb -0.13 -3.34 0.00 0.00 0.06 0.00 0.00 34.95 31.54 1poi s ARG 131 CO -0.06 0.44 0.03 1.19 -2.50 0.00 0.00 175.30 174.41 1poi n PHE 132 N 2.98 -1.23 -0.03 5.12 3.72 0.73 -4.99 117.46 123.76 1poi n PHE 132 Ca -0.15 -0.23 -0.11 0.00 -0.05 0.00 0.00 57.45 56.91 1poi n PHE 132 Cb 0.53 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.97 1poi n PHE 132 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1poi h THR 133 N 0.58 1.13 0.00 4.37 1.35 -1.79 -3.47 112.91 115.08 1poi h THR 133 Ca -0.03 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1poi h THR 133 Cb 0.12 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1poi h THR 133 CO 0.06 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1poi n GLY 134 N -0.79 0.68 0.38 5.82 0.00 -1.24 -4.91 105.19 105.13 1poi n GLY 134 Ca -0.05 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 1poi n GLY 134 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1poi h SER 135 N 0.00 -1.24 0.00 1.61 0.87 -1.95 -3.41 113.55 109.42 1poi h SER 135 Ca 0.00 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1poi h SER 135 Cb 0.00 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1poi h SER 135 CO 0.00 -0.39 0.00 0.61 -0.53 0.00 0.00 176.83 176.52 1poi n GLY 136 N -1.42 0.54 0.94 5.77 0.00 -1.26 -3.12 105.19 106.63 1poi n GLY 136 Ca -0.03 -0.88 0.09 0.00 0.00 0.00 0.00 46.02 45.20 1poi n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1poi n GLY 137 N 0.00 2.09 0.23 -0.02 0.00 -1.26 -4.38 105.19 101.85 1poi n GLY 137 Ca 0.00 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.53 1poi n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1poi h ALA 138 N 3.25 1.40 -0.17 4.61 0.00 -1.93 -0.74 119.26 125.67 1poi h ALA 138 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1poi h ALA 138 Cb 0.83 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1poi h ALA 138 CO 0.00 0.27 0.07 -0.97 0.00 0.00 0.00 179.25 178.62 1poi h ASN 139 N 0.00 0.24 -0.50 0.00 -0.00 -1.76 -1.60 115.58 111.95 1poi h ASN 139 Ca -0.00 -0.17 -0.02 0.00 -0.00 0.00 0.00 56.30 56.11 1poi h ASN 139 Cb 0.45 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 38.68 1poi h ASN 139 CO 0.03 0.34 0.25 1.23 -0.00 0.00 0.00 177.43 179.28 1poi h GLY 140 N 0.12 0.77 0.98 1.57 0.00 -1.62 -1.73 103.07 103.16 1poi h GLY 140 Ca 0.06 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.05 1poi h GLY 140 CO -0.00 0.36 0.61 -2.22 0.00 0.00 0.00 176.54 175.28 1poi h ILE 141 N 0.67 1.16 -0.32 2.60 2.04 -1.08 -2.64 117.51 119.94 1poi h ILE 141 Ca 0.17 -0.40 -0.15 0.00 1.00 0.00 0.00 64.86 65.48 1poi h ILE 141 Cb 0.10 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1poi h ILE 141 CO -0.02 0.21 -0.42 0.00 0.00 0.00 0.00 178.15 177.92 1poi h ALA 142 N 1.46 0.66 -0.32 1.87 0.00 -0.84 0.03 119.26 122.12 1poi h ALA 142 Ca 0.36 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1poi h ALA 142 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1poi h ALA 142 CO -0.11 0.67 -0.09 1.15 0.00 0.00 0.00 179.25 180.87 1poi h THR 143 N 0.64 1.22 0.00 0.00 2.02 -0.98 -3.37 112.91 112.44 1poi h THR 143 Ca 0.05 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1poi h THR 143 Cb 0.98 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1poi h THR 143 CO 0.09 0.32 0.00 -1.22 0.37 0.00 0.00 175.52 175.09 1poi n TYR 144 N -4.22 0.00 -4.06 3.16 4.01 -1.07 -4.09 117.16 110.89 1poi n TYR 144 Ca 0.01 -0.32 -0.12 0.00 -0.16 0.00 0.00 57.90 57.31 1poi n TYR 144 Cb 0.31 -0.03 -0.11 0.00 -0.31 0.00 0.00 39.34 39.19 1poi n TYR 144 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1poi s SER 145 N -0.64 0.80 0.19 7.72 0.01 -0.01 -4.79 113.70 116.97 1poi s SER 145 Ca 0.00 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 1poi s SER 145 Cb 0.00 0.05 -0.09 0.00 0.21 0.00 0.00 66.02 66.19 1poi s SER 145 CO 0.00 -0.23 1.35 0.20 0.41 0.00 0.00 173.24 174.97 1poi s ASN 146 N -1.62 6.84 0.14 2.44 0.01 -1.26 -4.16 114.94 117.32 1poi s ASN 146 Ca -0.10 2.42 0.09 0.00 -0.71 0.00 0.00 52.86 54.57 1poi s ASN 146 Cb -0.09 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 1poi s ASN 146 CO 0.00 -0.58 -0.21 0.42 -1.51 0.00 0.00 177.10 175.21 1poi s THR 147 N 0.34 1.91 -0.29 1.60 -4.23 -1.16 -1.38 115.64 112.43 1poi s THR 147 Ca 0.59 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 1poi s THR 147 Cb -0.37 -1.79 0.05 0.00 1.34 0.00 0.00 72.50 71.73 1poi s THR 147 CO 0.37 -0.12 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.68 1poi s ILE 148 N -1.48 2.84 0.16 2.99 1.01 -0.60 -0.67 121.20 125.45 1poi s ILE 148 Ca 0.12 -1.45 -0.18 0.00 0.00 0.00 0.00 60.65 59.14 1poi s ILE 148 Cb -0.08 -2.65 -0.07 0.00 0.01 0.00 0.00 42.46 39.67 1poi s ILE 148 CO 0.06 -0.11 0.63 -0.63 0.00 0.00 0.00 174.94 174.90 1poi s ILE 149 N 1.22 4.69 -0.09 2.92 1.09 -0.53 -2.07 121.20 128.43 1poi s ILE 149 Ca -0.06 1.13 -0.00 0.00 -1.10 0.00 0.00 60.65 60.63 1poi s ILE 149 Cb -0.20 -3.84 -0.03 0.00 -1.06 0.00 0.00 42.46 37.34 1poi s ILE 149 CO -0.02 0.30 -0.07 -0.04 -0.10 0.00 0.00 174.94 175.01 1poi s MET 150 N -1.76 2.97 0.11 2.79 -1.94 -0.57 -0.82 119.30 120.09 1poi s MET 150 Ca 0.38 -0.56 -0.13 0.00 -1.71 0.00 0.00 55.69 53.67 1poi s MET 150 Cb -0.17 -2.65 0.02 0.00 2.01 0.00 0.00 34.83 34.04 1poi s MET 150 CO 0.20 0.54 0.32 -1.64 -0.01 0.00 0.00 175.02 174.43 1poi s MET 151 N -0.48 0.98 -0.10 2.03 -1.94 -0.97 -3.67 119.30 115.15 1poi s MET 151 Ca 0.07 -0.81 -0.15 0.00 -1.71 0.00 0.00 55.69 53.09 1poi s MET 151 Cb -0.12 0.42 -0.05 0.00 2.01 0.00 0.00 34.83 37.09 1poi s MET 151 CO 0.02 -0.36 0.37 -0.65 -0.01 0.00 0.00 175.02 174.39 1poi s GLN 152 N -3.83 4.12 -1.11 2.03 -1.52 -1.26 -4.02 119.66 114.07 1poi s GLN 152 Ca 0.04 0.27 -0.21 0.00 -1.95 0.00 0.00 55.36 53.50 1poi s GLN 152 Cb 0.03 -3.35 0.04 0.00 -0.22 0.00 0.00 33.01 29.51 1poi s GLN 152 CO -0.11 0.39 1.63 -1.58 -0.25 0.00 0.00 175.29 175.36 1poi s HIS 153 N -0.07 2.51 -0.02 0.91 2.46 -1.26 -4.83 115.29 114.99 1poi s HIS 153 Ca 0.21 -0.88 0.03 0.00 0.47 0.00 0.00 55.06 54.89 1poi s HIS 153 Cb -0.15 -4.61 -0.00 0.00 -0.13 0.00 0.00 32.58 27.69 1poi s HIS 153 CO 0.08 -1.83 -0.11 -1.21 -2.47 0.00 0.00 174.74 169.21 1poi s GLU 154 N 5.02 0.98 0.35 2.88 2.02 -1.25 -4.92 118.70 123.77 1poi s GLU 154 Ca 0.52 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 55.17 1poi s GLU 154 Cb 0.01 -0.93 0.66 0.00 0.10 0.00 0.00 34.13 33.97 1poi s GLU 154 CO -0.02 0.20 1.99 -0.22 0.02 0.00 0.00 175.26 177.23 1poi h LYS 155 N 6.06 0.81 0.00 1.61 3.64 -1.43 -0.94 116.57 126.32 1poi h LYS 155 Ca -0.33 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1poi h LYS 155 Cb 1.17 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1poi h LYS 155 CO 0.49 0.54 0.00 0.07 -2.27 0.00 0.00 179.45 178.28 1poi h ARG 156 N 0.84 0.00 0.04 1.90 0.11 -1.97 -3.11 114.38 112.19 1poi h ARG 156 Ca 0.27 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.13 1poi h ARG 156 Cb 0.03 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 1poi h ARG 156 CO -0.07 0.00 -1.15 0.00 0.10 0.00 0.00 179.97 178.85 1poi h ARG 157 N 0.00 0.08 -6.07 0.08 3.08 -1.47 -3.43 114.38 106.66 1poi h ARG 157 Ca 0.00 -0.13 -0.58 0.00 0.07 0.00 0.00 59.98 59.34 1poi h ARG 157 Cb 0.46 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.46 1poi h ARG 157 CO 0.00 1.06 1.03 -0.06 -1.07 0.00 0.00 179.97 180.93 1poi s PHE 158 N -2.38 2.45 0.46 3.04 0.40 -0.78 -1.41 117.98 119.75 1poi s PHE 158 Ca -0.25 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 1poi s PHE 158 Cb 0.04 -4.56 0.01 0.00 0.51 0.00 0.00 43.02 39.03 1poi s PHE 158 CO 0.66 -1.94 0.12 -1.33 0.70 0.00 0.00 175.22 173.43 1poi n MET 159 N 8.82 0.87 -0.05 0.44 2.81 -0.97 -1.18 117.12 127.86 1poi n MET 159 Ca 0.08 -3.17 -0.15 0.00 -1.81 0.00 0.00 57.70 52.65 1poi n MET 159 Cb 0.49 0.68 -0.14 0.00 -0.71 0.00 0.00 33.22 33.54 1poi n MET 159 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1poi n ASN 160 N -1.47 1.39 -3.69 7.83 3.02 -1.26 -3.89 115.26 117.19 1poi n ASN 160 Ca -0.13 0.13 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 1poi n ASN 160 Cb 0.56 -0.21 -0.17 0.00 -0.61 0.00 0.00 39.78 39.35 1poi n ASN 160 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1poi s LYS 161 N -2.55 0.38 0.54 3.52 2.36 -1.26 -4.68 119.74 118.05 1poi s LYS 161 Ca -0.19 -0.13 -0.14 0.00 -2.55 0.00 0.00 55.97 52.97 1poi s LYS 161 Cb 0.07 -1.64 -0.06 0.00 -1.05 0.00 0.00 37.83 35.15 1poi s LYS 161 CO 0.75 -0.55 0.97 0.96 1.55 0.00 0.00 175.35 179.03 1poi s ILE 162 N 2.00 4.63 0.31 5.43 -4.36 -1.26 -4.97 121.20 122.99 1poi s ILE 162 Ca 0.02 1.00 0.16 0.00 -0.26 0.00 0.00 60.65 61.57 1poi s ILE 162 Cb -0.15 -3.78 0.11 0.00 1.25 0.00 0.00 42.46 39.89 1poi s ILE 162 CO -0.07 -0.84 1.81 0.44 0.24 0.00 0.00 174.94 176.52 1poi h ASP 163 N 0.50 0.00 -3.83 4.36 3.32 -1.92 -3.44 116.42 115.40 1poi h ASP 163 Ca -0.46 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 1poi h ASP 163 Cb 1.19 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.51 1poi h ASP 163 CO 0.62 0.37 -0.11 -0.47 -1.72 0.00 0.00 179.24 177.94 1poi s TYR 164 N -3.97 -0.61 -0.61 4.55 5.04 -1.26 -4.84 117.35 115.64 1poi s TYR 164 Ca -0.02 1.44 -0.15 0.00 -2.44 0.00 0.00 57.07 55.91 1poi s TYR 164 Cb 0.13 0.22 0.15 0.00 0.35 0.00 0.00 41.96 42.82 1poi s TYR 164 CO 0.70 -0.30 0.55 0.08 -1.34 0.00 0.00 175.55 175.25 1poi s VAL 165 N 0.43 5.19 -0.15 3.14 1.01 -1.26 -3.91 120.40 124.85 1poi s VAL 165 Ca -0.01 -1.82 -0.23 0.00 0.00 0.00 0.00 61.98 59.92 1poi s VAL 165 Cb -0.04 -4.30 -0.21 0.00 0.00 0.00 0.00 36.38 31.83 1poi s VAL 165 CO -0.01 -0.90 0.55 0.71 0.00 0.00 0.00 175.10 175.44 1poi h THR 166 N 5.61 1.36 -3.69 3.92 1.35 -1.62 -3.44 112.91 116.40 1poi h THR 166 Ca -0.18 -2.10 -0.68 0.00 -0.55 0.00 0.00 66.41 62.90 1poi h THR 166 Cb 1.08 2.65 -0.32 0.00 -1.73 0.00 0.00 68.15 69.83 1poi h THR 166 CO 0.94 0.46 -0.70 -0.44 -0.25 0.00 0.00 175.52 175.53 1poi s SER 167 N -6.22 4.79 0.32 5.36 0.01 -0.96 -4.56 113.70 112.45 1poi s SER 167 Ca -0.18 -1.13 -0.29 0.00 1.31 0.00 0.00 55.95 55.66 1poi s SER 167 Cb -0.01 -1.72 -0.11 0.00 0.21 0.00 0.00 66.02 64.39 1poi s SER 167 CO 0.57 -0.23 1.56 -2.84 0.41 0.00 0.00 173.24 172.71 1poi s PRO 168 N 1.30 4.11 0.00 12.44 0.02 -1.26 -1.94 135.00 149.67 1poi s PRO 168 Ca -0.03 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1poi s PRO 168 Cb -0.19 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1poi s PRO 168 CO -0.01 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 1poi n GLY 169 N 1.52 1.71 0.36 0.52 0.00 -1.26 -4.69 105.19 103.34 1poi n GLY 169 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1poi n GLY 169 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1poi n TRP 170 N 0.00 0.20 0.00 1.61 7.02 0.12 -4.79 117.44 121.60 1poi n TRP 170 Ca 0.00 -0.10 0.00 0.00 -1.02 0.00 0.00 57.50 56.38 1poi n TRP 170 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1poi n TRP 170 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1poi n ILE 171 N -0.00 0.00 0.00 -0.99 2.08 -1.26 -2.09 119.36 117.10 1poi n ILE 171 Ca 0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.43 1poi n ILE 171 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.10 1poi n ILE 171 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1poi n ASP 172 N 5.07 2.43 0.00 4.38 5.68 -1.26 -4.72 116.55 128.13 1poi n ASP 172 Ca 0.00 -0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 1poi n ASP 172 Cb 0.00 0.74 0.00 0.00 -1.14 0.00 0.00 41.12 40.72 1poi n ASP 172 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1poi n GLY 173 N 1.46 -0.24 2.61 6.12 0.00 -0.89 -4.99 105.19 109.27 1poi n GLY 173 Ca 0.00 -1.73 -0.46 0.00 0.00 0.00 0.00 46.02 43.83 1poi n GLY 173 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1poi n PRO 174 N -1.39 0.00 0.00 1.61 -0.02 -1.26 -0.06 135.00 133.87 1poi n PRO 174 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1poi n PRO 174 Cb 0.00 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1poi n PRO 174 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1poi n GLY 175 N 2.19 2.48 0.20 -1.23 0.00 -1.26 -4.92 105.19 102.64 1poi n GLY 175 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1poi n GLY 175 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1poi h GLY 176 N 0.00 -0.26 0.57 -0.02 0.00 -0.71 0.37 103.07 103.02 1poi h GLY 176 Ca 0.00 0.18 0.09 0.00 0.00 0.00 0.00 47.33 47.60 1poi h GLY 176 CO 0.00 -0.15 0.50 3.21 0.00 0.00 0.00 176.54 180.10 1poi h ARG 177 N -0.29 0.83 -0.49 4.80 3.08 -1.79 0.36 114.38 120.89 1poi h ARG 177 Ca 0.03 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1poi h ARG 177 Cb 0.32 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1poi h ARG 177 CO -0.10 0.55 -0.00 0.93 -1.07 0.00 0.00 179.97 180.28 1poi h GLU 178 N 0.86 0.86 -0.37 0.04 3.07 -1.54 0.25 114.58 117.76 1poi h GLU 178 Ca 0.40 -0.28 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1poi h GLU 178 Cb 0.32 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1poi h GLU 178 CO -0.23 0.91 0.18 -0.09 -1.40 0.00 0.00 179.01 178.38 1poi h ARG 179 N 0.72 0.50 -0.00 2.33 2.43 0.93 -2.02 114.38 119.27 1poi h ARG 179 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1poi h ARG 179 Cb 0.52 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1poi h ARG 179 CO 0.03 0.39 -0.41 1.28 -1.51 0.00 0.00 179.97 179.74 1poi n LEU 180 N -4.43 0.49 0.00 3.80 4.77 -0.00 -4.94 117.00 116.69 1poi n LEU 180 Ca 0.02 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1poi n LEU 180 Cb 0.11 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1poi n LEU 180 CO 0.36 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1poi n GLY 181 N 1.48 0.89 3.86 -0.72 0.00 -0.43 -5.08 105.19 105.20 1poi n GLY 181 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1poi n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1poi s LEU 182 N 0.00 4.26 -0.10 0.99 1.43 0.75 -4.98 118.68 121.03 1poi s LEU 182 Ca 0.00 0.94 -0.39 0.00 -1.03 0.00 0.00 54.13 53.65 1poi s LEU 182 Cb 0.00 -3.41 -0.16 0.00 0.03 0.00 0.00 46.19 42.65 1poi s LEU 182 CO 0.00 0.03 1.52 -2.65 0.23 0.00 0.00 176.35 175.48 1poi n PRO 183 N 0.37 1.07 0.05 1.29 -0.02 -1.26 -3.90 135.00 132.61 1poi n PRO 183 Ca -0.03 0.39 -0.11 0.00 -2.02 0.00 0.00 63.50 61.72 1poi n PRO 183 Cb 0.52 -2.04 -0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1poi n PRO 183 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1poi h GLY 184 N 5.71 0.46 -2.59 -1.23 0.00 -1.92 -3.34 103.07 100.15 1poi h GLY 184 Ca -0.47 -0.71 -0.16 0.00 0.00 0.00 0.00 47.33 45.99 1poi h GLY 184 CO 0.86 0.63 0.20 2.09 0.00 0.00 0.00 176.54 180.32 1poi n ASP 185 N -3.80 3.19 -3.81 0.19 5.68 -1.26 -4.82 116.55 111.92 1poi n ASP 185 Ca -0.05 -2.52 -0.12 0.00 -0.50 0.00 0.00 54.79 51.59 1poi n ASP 185 Cb 0.76 -0.61 -0.12 0.00 -1.14 0.00 0.00 41.12 40.01 1poi n ASP 185 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1poi s VAL 186 N -1.17 -0.00 -1.49 2.12 0.11 -1.26 -5.00 120.40 113.72 1poi s VAL 186 Ca 0.19 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 1poi s VAL 186 Cb 0.16 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.76 1poi s VAL 186 CO 0.04 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 1poi n GLY 187 N 2.99 -1.49 3.59 6.54 0.00 -1.26 -4.94 105.19 110.62 1poi n GLY 187 Ca -0.13 -1.03 -0.51 0.00 0.00 0.00 0.00 46.02 44.35 1poi n GLY 187 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1poi n PRO 188 N -0.17 1.19 -0.03 1.61 -0.02 -1.26 -2.99 135.00 133.33 1poi n PRO 188 Ca 0.00 0.43 -0.04 0.00 -2.02 0.00 0.00 63.50 61.87 1poi n PRO 188 Cb 0.00 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1poi n PRO 188 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1poi n GLN 189 N 2.44 0.71 -3.89 -0.52 1.13 0.15 -4.85 117.38 112.55 1poi n GLN 189 Ca 0.18 0.03 -0.09 0.00 -1.94 0.00 0.00 57.00 55.17 1poi n GLN 189 Cb 0.20 -1.12 -0.06 0.00 0.11 0.00 0.00 30.24 29.38 1poi n GLN 189 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1poi s LEU 190 N -5.15 0.67 -0.06 1.08 2.96 -1.19 -4.28 118.68 112.71 1poi s LEU 190 Ca -0.07 -0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 53.07 1poi s LEU 190 Cb 0.02 1.50 0.04 0.00 0.50 0.00 0.00 46.19 48.25 1poi s LEU 190 CO 0.14 -0.95 0.11 -0.69 -1.32 0.00 0.00 176.35 173.64 1poi s VAL 191 N -3.94 -0.16 -0.09 1.68 1.01 -0.52 -1.45 120.40 116.92 1poi s VAL 191 Ca 0.15 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.48 1poi s VAL 191 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 1poi s VAL 191 CO -0.01 0.15 -0.10 -0.69 0.00 0.00 0.00 175.10 174.44 1poi s VAL 192 N 2.00 3.36 0.24 2.92 1.01 0.00 -1.14 120.40 128.78 1poi s VAL 192 Ca 0.01 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1poi s VAL 192 Cb -0.12 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1poi s VAL 192 CO -0.05 0.56 0.21 0.35 0.00 0.00 0.00 175.10 176.17 1poi n THR 193 N 2.84 0.00 1.10 3.92 -2.24 -0.98 -2.30 114.28 116.62 1poi n THR 193 Ca -0.18 -1.75 0.06 0.00 -2.27 0.00 0.00 64.05 59.92 1poi n THR 193 Cb 0.53 0.88 0.38 0.00 -2.10 0.00 0.00 70.33 70.02 1poi n THR 193 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1poi n ASP 194 N -2.04 0.00 0.00 3.42 5.75 -1.26 -3.63 116.55 118.79 1poi n ASP 194 Ca 0.06 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 54.14 1poi n ASP 194 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1poi n ASP 194 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1poi n LYS 195 N -0.87 1.94 -1.57 0.11 5.02 -1.26 -4.97 118.16 116.56 1poi n LYS 195 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1poi n LYS 195 Cb 0.04 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1poi n LYS 195 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1poi n GLY 196 N 2.82 0.73 3.35 0.72 0.00 -1.24 -0.46 105.19 111.12 1poi n GLY 196 Ca 0.00 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1poi n GLY 196 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1poi s ILE 197 N -2.17 2.87 -0.03 -0.61 -4.36 -0.75 -2.31 121.20 113.83 1poi s ILE 197 Ca 0.00 -0.74 0.03 0.00 -0.26 0.00 0.00 60.65 59.69 1poi s ILE 197 Cb 0.00 -2.18 -0.03 0.00 1.25 0.00 0.00 42.46 41.50 1poi s ILE 197 CO 0.00 0.54 -0.11 -0.76 0.24 0.00 0.00 174.94 174.84 1poi s LEU 198 N 0.23 2.91 0.00 0.37 1.02 -0.30 -1.18 118.68 121.73 1poi s LEU 198 Ca -0.10 -0.17 0.01 0.00 0.02 0.00 0.00 54.13 53.89 1poi s LEU 198 Cb -0.16 -1.64 0.01 0.00 0.02 0.00 0.00 46.19 44.42 1poi s LEU 198 CO 0.06 0.33 0.08 0.29 0.02 0.00 0.00 176.35 177.12 1poi n LYS 199 N 2.03 1.10 -5.12 1.70 5.02 0.31 -1.44 118.16 121.76 1poi n LYS 199 Ca -0.17 -2.48 -0.32 0.00 -2.02 0.00 0.00 58.31 53.32 1poi n LYS 199 Cb 0.52 0.56 -0.17 0.00 -0.02 0.00 0.00 35.03 35.92 1poi n LYS 199 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1poi s PHE 200 N -2.14 2.53 0.17 2.13 0.40 -1.26 -0.41 117.98 119.40 1poi s PHE 200 Ca 0.06 -1.07 -0.33 0.00 -0.60 0.00 0.00 56.93 54.99 1poi s PHE 200 Cb -0.00 -1.70 -0.13 0.00 0.51 0.00 0.00 43.02 41.69 1poi s PHE 200 CO 0.04 -0.44 1.63 -3.47 0.70 0.00 0.00 175.22 173.68 1poi n ASP 201 N 3.61 3.37 -0.30 1.36 -0.08 -0.27 -4.81 116.55 119.43 1poi n ASP 201 Ca -0.19 1.07 0.05 0.00 -1.51 0.00 0.00 54.79 54.21 1poi n ASP 201 Cb 0.53 -1.47 0.25 0.00 2.34 0.00 0.00 41.12 42.77 1poi n ASP 201 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1poi h GLU 202 N 6.30 0.96 0.04 -0.67 5.08 -1.96 0.87 114.58 125.21 1poi h GLU 202 Ca -0.45 -0.06 -0.33 0.00 -1.00 0.00 0.00 59.36 57.53 1poi h GLU 202 Cb 1.24 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 1poi h GLU 202 CO 0.91 0.64 -1.91 1.63 -1.00 0.00 0.00 179.01 179.27 1poi n LYS 203 N -4.50 0.68 -0.00 2.33 5.02 -1.26 -4.51 118.16 115.92 1poi n LYS 203 Ca 0.14 0.25 0.06 0.00 -2.02 0.00 0.00 58.31 56.74 1poi n LYS 203 Cb 0.23 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.44 1poi n LYS 203 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1poi n THR 204 N -3.18 0.00 -1.12 -0.18 -2.24 -1.18 -4.66 114.28 101.71 1poi n THR 204 Ca -0.25 -0.23 -0.04 0.00 -2.27 0.00 0.00 64.05 61.26 1poi n THR 204 Cb 1.06 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 70.14 1poi n THR 204 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1poi n LYS 205 N -1.39 -1.64 -3.28 -0.78 4.76 0.30 -4.40 118.16 111.73 1poi n LYS 205 Ca 0.02 0.60 -0.38 0.00 -2.87 0.00 0.00 58.31 55.67 1poi n LYS 205 Cb 0.21 -4.91 -0.06 0.00 -1.84 0.00 0.00 35.03 28.44 1poi n LYS 205 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1poi s ARG 206 N -2.17 4.25 0.44 1.97 3.52 -1.26 -4.48 118.95 121.24 1poi s ARG 206 Ca 0.00 0.61 -0.25 0.00 -0.13 0.00 0.00 55.73 55.96 1poi s ARG 206 Cb 0.00 -3.34 -0.09 0.00 -1.56 0.00 0.00 34.95 29.96 1poi s ARG 206 CO 0.00 0.38 1.39 -0.12 -0.81 0.00 0.00 175.30 176.14 1poi n MET 207 N 2.77 2.17 -3.81 5.12 0.00 0.09 -1.11 117.12 122.35 1poi n MET 207 Ca -0.08 0.77 -0.11 0.00 -0.00 0.00 0.00 57.70 58.28 1poi n MET 207 Cb 0.51 -2.57 -0.08 0.00 0.00 0.00 0.00 33.22 31.08 1poi n MET 207 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 1poi s TYR 208 N -1.19 -0.03 -0.11 1.12 -0.85 0.46 -4.50 117.35 112.24 1poi s TYR 208 Ca 0.61 -0.11 -0.30 0.00 -0.52 0.00 0.00 57.07 56.76 1poi s TYR 208 Cb -0.46 0.02 -0.02 0.00 0.38 0.00 0.00 41.96 41.88 1poi s TYR 208 CO 0.58 -0.43 1.23 -1.17 -1.52 0.00 0.00 175.55 174.23 1poi s LEU 209 N -1.91 4.23 0.01 -3.49 2.96 -0.94 -0.53 118.68 119.02 1poi s LEU 209 Ca -0.07 1.76 0.22 0.00 -0.22 0.00 0.00 54.13 55.82 1poi s LEU 209 Cb -0.02 -3.55 -0.28 0.00 0.50 0.00 0.00 46.19 42.84 1poi s LEU 209 CO -0.02 -0.67 0.58 0.00 -1.32 0.00 0.00 176.35 174.93 1poi n ALA 210 N 5.84 2.79 -3.62 5.97 0.00 -0.33 -3.30 120.51 127.87 1poi n ALA 210 Ca 0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 1poi n ALA 210 Cb 0.46 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 1poi n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poi s ALA 211 N -3.49 -2.09 -0.03 0.00 0.00 -0.82 -3.45 121.76 111.87 1poi s ALA 211 Ca -0.06 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 52.81 1poi s ALA 211 Cb 0.13 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.48 1poi s ALA 211 CO 0.89 -0.86 0.17 1.52 0.00 0.00 0.00 175.76 177.47 1poi s TYR 212 N -2.55 -0.09 0.77 0.00 -0.85 -0.22 -1.81 117.35 112.60 1poi s TYR 212 Ca 0.12 0.19 -0.12 0.00 -0.52 0.00 0.00 57.07 56.73 1poi s TYR 212 Cb 0.02 0.02 0.06 0.00 0.38 0.00 0.00 41.96 42.43 1poi s TYR 212 CO -0.04 -0.20 1.13 0.71 -1.52 0.00 0.00 175.55 175.63 1poi s TYR 213 N -0.68 2.28 0.61 -3.49 2.02 0.39 -1.48 117.35 117.01 1poi s TYR 213 Ca -0.08 1.62 0.35 0.00 -0.37 0.00 0.00 57.07 58.59 1poi s TYR 213 Cb -0.04 -3.21 1.90 0.00 -0.40 0.00 0.00 41.96 40.21 1poi s TYR 213 CO 0.01 -2.14 2.07 -1.35 -1.57 0.00 0.00 175.55 172.57 1poi h PRO 214 N -0.90 0.00 0.00 -1.71 0.11 -1.89 0.58 132.00 128.19 1poi h PRO 214 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1poi h PRO 214 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1poi h PRO 214 CO 0.49 0.00 -0.88 1.15 -0.21 0.00 0.00 178.00 178.55 1poi h THR 215 N 0.00 0.12 -3.82 -1.15 2.02 -1.92 -3.48 112.91 104.68 1poi h THR 215 Ca 0.00 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.96 1poi h THR 215 Cb 0.37 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1poi h THR 215 CO 0.00 0.07 0.00 -0.24 0.37 0.00 0.00 175.52 175.72 1poi n SER 216 N -2.81 0.72 -3.49 4.18 2.88 0.19 -5.15 113.62 110.14 1poi n SER 216 Ca -0.01 -0.82 -0.16 0.00 -1.33 0.00 0.00 58.87 56.55 1poi n SER 216 Cb 0.60 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.02 1poi n SER 216 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1poi s SER 217 N -0.87 -0.63 0.53 -3.46 1.04 -1.26 -4.79 113.70 104.25 1poi s SER 217 Ca 0.00 0.48 0.30 0.00 0.48 0.00 0.00 55.95 57.21 1poi s SER 217 Cb 0.00 0.56 1.44 0.00 0.10 0.00 0.00 66.02 68.12 1poi s SER 217 CO 0.00 -0.73 1.90 -0.65 0.98 0.00 0.00 173.24 174.74 1poi h PRO 218 N 2.67 0.03 0.09 4.02 0.11 -1.96 -2.26 132.00 134.70 1poi h PRO 218 Ca -0.29 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1poi h PRO 218 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1poi h PRO 218 CO 0.39 0.02 -0.04 1.49 -0.21 0.00 0.00 178.00 179.65 1poi h GLU 219 N 0.04 -0.12 -0.80 1.05 4.81 -1.96 -2.59 114.58 115.01 1poi h GLU 219 Ca 0.41 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.81 1poi h GLU 219 Cb 1.59 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.89 1poi h GLU 219 CO -0.02 0.31 0.33 0.22 -0.73 0.00 0.00 179.01 179.12 1poi h ASP 220 N -0.58 0.31 -0.56 1.04 3.58 -1.82 0.39 116.42 118.77 1poi h ASP 220 Ca -0.01 0.12 0.06 0.00 0.42 0.00 0.00 57.03 57.61 1poi h ASP 220 Cb 0.48 0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.57 1poi h ASP 220 CO 0.02 0.09 0.28 0.58 -2.88 0.00 0.00 179.24 177.33 1poi h VAL 221 N 0.45 0.92 -0.26 2.25 2.07 -1.44 -2.32 116.25 117.92 1poi h VAL 221 Ca 0.45 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 1poi h VAL 221 Cb 0.72 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1poi h VAL 221 CO -0.43 0.10 0.12 -0.07 0.02 0.00 0.00 177.57 177.31 1poi h LEU 222 N 0.52 0.35 -2.62 2.57 3.38 0.06 -2.17 115.31 117.40 1poi h LEU 222 Ca 0.25 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1poi h LEU 222 Cb 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1poi h LEU 222 CO -0.19 0.39 0.09 -0.33 0.09 0.00 0.00 178.44 178.49 1poi h GLU 223 N 0.29 0.00 -0.35 1.13 5.08 -0.48 -2.27 114.58 117.97 1poi h GLU 223 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1poi h GLU 223 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1poi h GLU 223 CO -0.01 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.09 1poi n ASN 224 N -3.27 2.94 -4.33 1.42 3.02 -0.86 -4.83 115.26 109.36 1poi n ASN 224 Ca -0.02 -1.97 -0.34 0.00 -0.03 0.00 0.00 54.58 52.22 1poi n ASN 224 Cb 0.17 -0.24 -0.14 0.00 -0.61 0.00 0.00 39.78 38.96 1poi n ASN 224 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1poi s THR 225 N -1.00 3.33 -0.93 3.41 2.01 -0.86 -1.10 115.64 120.50 1poi s THR 225 Ca 0.25 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1poi s THR 225 Cb 0.13 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 70.15 1poi s THR 225 CO 0.17 0.45 0.37 0.61 -0.69 0.00 0.00 174.62 175.53 1poi n GLY 226 N 4.47 1.08 3.66 4.40 0.00 -0.33 -4.76 105.19 113.71 1poi n GLY 226 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1poi n GLY 226 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1poi s PHE 227 N -0.91 -0.00 -0.03 1.61 -0.12 -1.26 -4.57 117.98 112.70 1poi s PHE 227 Ca 0.00 -0.38 -0.30 0.00 -0.05 0.00 0.00 56.93 56.20 1poi s PHE 227 Cb 0.00 0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 42.78 1poi s PHE 227 CO 0.00 -1.05 1.49 0.34 -0.05 0.00 0.00 175.22 175.95 1poi s ASP 228 N -2.93 6.77 -0.02 1.98 2.15 -1.26 -5.03 116.67 118.33 1poi s ASP 228 Ca 0.14 2.14 0.06 0.00 0.43 0.00 0.00 52.55 55.32 1poi s ASP 228 Cb -0.03 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.02 1poi s ASP 228 CO 0.04 -0.81 -0.19 -0.76 -0.17 0.00 0.00 175.17 173.28 1poi s LEU 229 N 3.08 2.49 -0.69 -1.34 1.43 -1.26 -5.02 118.68 117.37 1poi s LEU 229 Ca 0.67 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 53.23 1poi s LEU 229 Cb -0.32 -1.48 0.09 0.00 0.03 0.00 0.00 46.19 44.52 1poi s LEU 229 CO 0.27 0.32 0.91 -0.62 0.23 0.00 0.00 176.35 177.46 1poi s ASP 230 N -0.85 6.26 -0.43 2.29 -1.08 -1.26 -4.84 116.67 116.76 1poi s ASP 230 Ca 0.12 -1.33 0.05 0.00 -0.52 0.00 0.00 52.55 50.86 1poi s ASP 230 Cb -0.10 -2.38 0.57 0.00 -1.46 0.00 0.00 42.92 39.55 1poi s ASP 230 CO 0.01 -1.27 1.76 1.33 0.52 0.00 0.00 175.17 177.52 1poi n VAL 231 N 5.71 3.05 0.45 1.11 0.24 -1.26 -2.22 118.33 125.41 1poi n VAL 231 Ca -0.00 -2.47 0.12 0.00 -2.04 0.00 0.00 64.34 59.94 1poi n VAL 231 Cb 0.45 -0.58 0.08 0.00 -1.47 0.00 0.00 33.84 32.32 1poi n VAL 231 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1poi n SER 232 N -1.08 0.69 -0.19 -1.34 7.64 -1.26 -4.07 113.62 114.01 1poi n SER 232 Ca 0.52 0.06 0.09 0.00 1.01 0.00 0.00 58.87 60.55 1poi n SER 232 Cb 1.28 0.47 -0.06 0.00 -1.01 0.00 0.00 64.21 64.89 1poi n SER 232 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1poi n LYS 233 N -2.20 1.22 -1.71 1.43 5.02 -1.26 -5.01 118.16 115.65 1poi n LYS 233 Ca 0.02 -0.39 -0.43 0.00 -2.02 0.00 0.00 58.31 55.49 1poi n LYS 233 Cb 0.47 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 1poi n LYS 233 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1poi n ALA 234 N -0.84 2.23 -2.55 7.82 0.00 -1.21 -4.86 120.51 121.10 1poi n ALA 234 Ca 0.05 0.40 -0.24 0.00 0.00 0.00 0.00 53.44 53.65 1poi n ALA 234 Cb 0.33 -2.44 -0.09 0.00 0.00 0.00 0.00 19.45 17.26 1poi n ALA 234 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1poi s VAL 235 N 0.52 2.97 -0.19 0.00 1.01 -1.22 -4.90 120.40 118.58 1poi s VAL 235 Ca 0.71 -2.04 -0.14 0.00 0.00 0.00 0.00 61.98 60.51 1poi s VAL 235 Cb -0.55 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1poi s VAL 235 CO 0.42 -0.30 0.31 -0.70 0.00 0.00 0.00 175.10 174.83 1poi s GLU 236 N -3.35 4.20 0.64 2.72 2.12 -1.26 -1.06 118.70 122.71 1poi s GLU 236 Ca 0.29 0.08 -0.11 0.00 0.36 0.00 0.00 54.97 55.59 1poi s GLU 236 Cb -0.07 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 1poi s GLU 236 CO 0.16 0.11 1.04 -0.51 -0.54 0.00 0.00 175.26 175.52 1poi s LEU 237 N 0.86 3.19 0.42 2.70 1.43 -0.55 -4.94 118.68 121.80 1poi s LEU 237 Ca 0.16 1.43 -0.08 0.00 -1.03 0.00 0.00 54.13 54.61 1poi s LEU 237 Cb -0.14 -4.44 -0.05 0.00 0.03 0.00 0.00 46.19 41.59 1poi s LEU 237 CO 0.05 -0.98 0.75 -1.61 0.23 0.00 0.00 176.35 174.80 1poi s GLU 238 N -5.17 3.69 0.74 1.70 2.02 -1.26 -3.80 118.70 116.61 1poi s GLU 238 Ca 0.56 0.33 -0.14 0.00 0.02 0.00 0.00 54.97 55.74 1poi s GLU 238 Cb -0.11 -2.41 0.05 0.00 0.10 0.00 0.00 34.13 31.75 1poi s GLU 238 CO 0.54 -0.06 1.16 0.00 0.02 0.00 0.00 175.26 176.91 1poi s ALA 239 N -2.46 2.14 0.50 5.21 0.00 -1.26 -4.84 121.76 121.05 1poi s ALA 239 Ca 0.49 0.67 -0.23 0.00 0.00 0.00 0.00 51.96 52.89 1poi s ALA 239 Cb -0.10 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1poi s ALA 239 CO 0.35 -1.83 1.30 -2.14 0.00 0.00 0.00 175.76 173.44 1poi s PRO 240 N -4.19 3.46 -0.05 0.00 0.02 -1.26 -4.98 135.00 128.00 1poi s PRO 240 Ca 0.70 2.09 -0.30 0.00 0.02 0.00 0.00 61.00 63.51 1poi s PRO 240 Cb -0.24 -2.38 -0.02 0.00 0.02 0.00 0.00 34.50 31.87 1poi s PRO 240 CO 0.47 -0.89 1.01 0.34 -0.33 0.00 0.00 177.00 177.60 1poi s ASP 241 N -1.03 7.29 0.29 2.53 2.15 -1.26 -4.95 116.67 121.68 1poi s ASP 241 Ca 0.67 1.62 -0.03 0.00 0.43 0.00 0.00 52.55 55.23 1poi s ASP 241 Cb -0.37 -2.56 0.59 0.00 -0.30 0.00 0.00 42.92 40.28 1poi s ASP 241 CO 0.44 -0.37 1.57 -0.65 -0.17 0.00 0.00 175.17 176.00 1poi h PRO 242 N 6.97 0.01 -0.95 4.34 0.11 -1.91 0.39 132.00 140.96 1poi h PRO 242 Ca -0.36 -0.00 0.23 0.00 0.11 0.00 0.00 66.00 65.98 1poi h PRO 242 Cb 1.18 -0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 1poi h PRO 242 CO 0.81 0.01 0.50 0.00 -0.21 0.00 0.00 178.00 179.11 1poi h ALA 243 N 1.97 1.61 0.00 -0.75 0.00 -1.93 0.57 119.26 120.73 1poi h ALA 243 Ca 0.53 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.42 1poi h ALA 243 Cb 0.97 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1poi h ALA 243 CO -0.95 -0.28 -0.75 0.28 0.00 0.00 0.00 179.25 177.56 1poi h VAL 244 N 0.52 1.38 -0.04 0.00 2.07 -0.60 -2.00 116.25 117.57 1poi h VAL 244 Ca 0.60 -2.71 -0.13 0.00 0.82 0.00 0.00 66.70 65.27 1poi h VAL 244 Cb 1.11 2.53 0.01 0.00 -1.52 0.00 0.00 31.29 33.41 1poi h VAL 244 CO -0.49 0.74 -0.48 0.40 0.02 0.00 0.00 177.57 177.76 1poi h ILE 245 N 0.00 1.42 -0.19 4.57 1.08 -0.32 -0.56 117.51 123.52 1poi h ILE 245 Ca -0.01 -1.92 0.05 0.00 -0.39 0.00 0.00 64.86 62.59 1poi h ILE 245 Cb 1.47 2.45 -0.06 0.00 -3.07 0.00 0.00 36.82 37.61 1poi h ILE 245 CO 0.10 0.56 -0.23 0.50 -0.69 0.00 0.00 178.15 178.39 1poi h LYS 246 N -0.10 -0.25 0.03 2.37 3.11 -0.06 -1.15 116.57 120.53 1poi h LYS 246 Ca -0.05 0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1poi h LYS 246 Cb 1.17 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.43 1poi h LYS 246 CO 0.10 -0.16 -0.20 1.25 -2.81 0.00 0.00 179.45 177.62 1poi h LEU 247 N -0.26 -0.61 -0.75 5.20 5.85 -1.30 0.25 115.31 123.70 1poi h LEU 247 Ca 0.12 0.07 0.17 0.00 0.84 0.00 0.00 57.88 59.08 1poi h LEU 247 Cb 0.44 0.23 -0.13 0.00 0.37 0.00 0.00 40.66 41.57 1poi h LEU 247 CO -0.34 -0.20 0.06 0.40 -0.34 0.00 0.00 178.44 178.02 1poi h ILE 248 N -0.27 0.39 0.23 4.05 2.04 -0.92 0.12 117.51 123.14 1poi h ILE 248 Ca 0.00 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1poi h ILE 248 Cb 0.28 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1poi h ILE 248 CO -0.12 0.03 -0.11 0.03 0.00 0.00 0.00 178.15 177.98 1poi h ARG 249 N 0.15 -0.29 -0.01 2.37 3.08 -0.86 0.42 114.38 119.24 1poi h ARG 249 Ca 0.42 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.49 1poi h ARG 249 Cb 0.74 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1poi h ARG 249 CO -0.62 0.05 -0.01 0.39 -1.07 0.00 0.00 179.97 178.71 1poi n GLU 250 N -5.06 1.43 0.00 0.04 1.02 0.86 -2.06 120.64 116.86 1poi n GLU 250 Ca -0.09 -0.65 0.00 0.00 -0.02 0.00 0.00 57.16 56.40 1poi n GLU 250 Cb 0.25 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1poi n GLU 250 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1poi n GLU 251 N -0.21 0.00 0.01 3.49 4.71 0.37 -4.80 120.64 124.21 1poi n GLU 251 Ca 0.20 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.20 1poi n GLU 251 Cb 0.28 -0.12 -0.04 0.00 -1.01 0.00 0.00 31.44 30.55 1poi n GLU 251 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1poi h ILE 252 N 0.00 1.32 -0.79 -3.67 5.03 -1.37 -3.41 117.51 114.61 1poi h ILE 252 Ca 0.00 -2.09 -0.33 0.00 -0.12 0.00 0.00 64.86 62.32 1poi h ILE 252 Cb 0.00 2.09 -0.25 0.00 -3.03 0.00 0.00 36.82 35.62 1poi h ILE 252 CO 0.00 0.65 -0.75 -0.67 -0.68 0.00 0.00 178.15 176.70 1poi n ASP 253 N -3.88 -1.02 0.29 1.72 2.03 0.12 -4.30 116.55 111.51 1poi n ASP 253 Ca -0.07 -3.37 0.19 0.00 0.52 0.00 0.00 54.79 52.07 1poi n ASP 253 Cb 0.75 0.86 0.95 0.00 -0.72 0.00 0.00 41.12 42.96 1poi n ASP 253 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1poi h PRO 254 N 2.96 0.00 -0.00 -0.67 0.11 -1.60 -0.53 132.00 132.27 1poi h PRO 254 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1poi h PRO 254 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1poi h PRO 254 CO 0.27 0.00 -0.08 0.41 -0.21 0.00 0.00 178.00 178.39 1poi n GLY 255 N -0.67 -0.85 3.82 -0.55 0.00 -1.26 -4.93 105.19 100.74 1poi n GLY 255 Ca -0.01 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1poi n GLY 255 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1poi n GLN 256 N -0.85 -5.48 -0.28 1.61 6.02 -0.21 -4.87 117.38 113.33 1poi n GLN 256 Ca 0.16 0.61 -0.04 0.00 -0.01 0.00 0.00 57.00 57.73 1poi n GLN 256 Cb 0.26 -5.50 0.08 0.00 1.02 0.00 0.00 30.24 26.10 1poi n GLN 256 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1poi h ALA 257 N 0.97 1.00 0.00 -1.58 0.00 -1.92 -3.39 119.26 114.34 1poi h ALA 257 Ca -0.57 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1poi h ALA 257 Cb 1.37 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1poi h ALA 257 CO 0.65 0.36 -0.40 1.19 0.00 0.00 0.00 179.25 181.05 1poi n PHE 258 N -4.57 -0.08 -2.65 0.00 3.72 -1.26 -4.91 117.46 107.72 1poi n PHE 258 Ca 0.08 0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 1poi n PHE 258 Cb 0.04 0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1poi n PHE 258 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1poi s ILE 259 N -2.00 4.13 -0.69 4.37 -1.09 -1.26 -4.93 121.20 119.73 1poi s ILE 259 Ca 0.00 -1.07 -0.27 0.00 -2.23 0.00 0.00 60.65 57.08 1poi s ILE 259 Cb 0.00 -5.01 0.03 0.00 -1.58 0.00 0.00 42.46 35.90 1poi s ILE 259 CO 0.00 -1.85 1.28 -1.10 -1.23 0.00 0.00 174.94 172.04 1poi s GLN 260 N 4.36 3.26 0.52 2.79 -0.21 -1.26 -4.40 119.66 124.72 1poi s GLN 260 Ca 0.44 -0.07 -0.18 0.00 0.02 0.00 0.00 55.36 55.56 1poi s GLN 260 Cb -0.01 -4.14 -0.07 0.00 1.00 0.00 0.00 33.01 29.79 1poi s GLN 260 CO -0.08 -2.05 1.03 0.14 -2.12 0.00 0.00 175.29 172.21 1poi s VAL 261 N 5.66 3.90 -2.00 1.09 -7.23 -1.26 -5.05 120.40 115.51 1poi s VAL 261 Ca 0.39 1.06 0.03 0.00 -1.81 0.00 0.00 61.98 61.65 1poi s VAL 261 Cb -0.08 -3.46 0.08 0.00 0.56 0.00 0.00 36.38 33.47 1poi s VAL 261 CO 0.18 -0.37 0.65 -2.65 -0.31 0.00 0.00 175.10 172.60