#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ml0 s VAL 2 N 0.00 4.85 0.03 5.09 1.01 -1.26 -5.05 120.40 125.07 3ml0 s VAL 2 Ca 0.00 1.18 0.08 0.00 0.00 0.00 0.00 61.98 63.24 3ml0 s VAL 2 Cb 0.00 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3ml0 s VAL 2 CO 0.00 -0.17 -0.21 -1.10 0.00 0.00 0.00 175.10 173.62 3ml0 s GLN 3 N 2.82 2.01 -0.15 2.72 -0.21 -1.26 -5.13 119.66 120.46 3ml0 s GLN 3 Ca 0.31 -1.00 -0.07 0.00 0.02 0.00 0.00 55.36 54.62 3ml0 s GLN 3 Cb -0.15 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 3ml0 s GLN 3 CO 0.11 0.54 0.08 -1.54 -2.12 0.00 0.00 175.29 172.36 3ml0 s SER 4 N -1.26 5.83 -0.31 5.90 1.04 -1.26 -5.08 113.70 118.56 3ml0 s SER 4 Ca 0.13 0.21 -0.00 0.00 0.48 0.00 0.00 55.95 56.77 3ml0 s SER 4 Cb -0.10 -1.92 0.07 0.00 0.10 0.00 0.00 66.02 64.16 3ml0 s SER 4 CO 0.03 0.27 0.00 -0.69 0.98 0.00 0.00 173.24 173.83 3ml0 s VAL 5 N -0.19 2.73 -0.42 5.02 1.01 -1.26 -4.81 120.40 122.48 3ml0 s VAL 5 Ca 0.08 -1.64 -0.20 0.00 0.00 0.00 0.00 61.98 60.22 3ml0 s VAL 5 Cb -0.12 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.62 3ml0 s VAL 5 CO 0.01 -0.21 0.62 -0.70 0.00 0.00 0.00 175.10 174.82 3ml0 s GLU 6 N 1.16 3.34 -0.20 2.72 -6.30 -1.03 -4.97 118.70 113.43 3ml0 s GLU 6 Ca -0.03 -0.33 -0.07 0.00 -2.50 0.00 0.00 54.97 52.04 3ml0 s GLU 6 Cb -0.20 -3.92 -0.04 0.00 0.00 0.00 0.00 34.13 29.97 3ml0 s GLU 6 CO -0.03 -0.93 0.06 0.08 0.02 0.00 0.00 175.26 174.45 3ml0 s VAL 7 N 2.72 4.63 -0.06 3.70 1.01 -1.26 -1.56 120.40 129.58 3ml0 s VAL 7 Ca 0.22 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.13 3ml0 s VAL 7 Cb -0.14 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.15 3ml0 s VAL 7 CO 0.18 0.43 -0.08 -0.32 0.00 0.00 0.00 175.10 175.30 3ml0 s MET 8 N 0.70 1.28 -0.02 2.72 1.75 -0.63 -4.96 119.30 120.15 3ml0 s MET 8 Ca 0.03 -0.26 0.01 0.00 -1.25 0.00 0.00 55.69 54.22 3ml0 s MET 8 Cb -0.13 -1.14 -0.04 0.00 2.84 0.00 0.00 34.83 36.36 3ml0 s MET 8 CO 0.02 -0.03 -0.00 1.03 -0.65 0.00 0.00 175.02 175.38 3ml0 s ARG 9 N 0.81 2.82 0.00 4.11 0.52 -1.26 0.54 118.95 126.49 3ml0 s ARG 9 Ca -0.12 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 3ml0 s ARG 9 Cb -0.15 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.63 3ml0 s ARG 9 CO 0.02 0.64 0.00 -0.40 0.02 0.00 0.00 175.30 175.58 3ml0 n ASP 10 N 1.57 0.00 0.07 0.23 5.68 -0.87 -4.90 116.55 118.33 3ml0 n ASP 10 Ca -0.15 -0.45 0.01 0.00 -0.50 0.00 0.00 54.79 53.70 3ml0 n ASP 10 Cb 0.53 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.85 3ml0 n ASP 10 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 3ml0 h SER 11 N 0.00 0.34 -0.58 -1.12 0.87 -2.00 -2.66 113.55 108.40 3ml0 h SER 11 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3ml0 h SER 11 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3ml0 h SER 11 CO 0.00 0.48 0.00 -1.22 -0.53 0.00 0.00 176.83 175.56 3ml0 n TYR 12 N -4.26 1.25 -2.30 2.24 4.01 -1.26 -4.93 117.16 111.91 3ml0 n TYR 12 Ca 0.00 -0.51 -0.09 0.00 -0.16 0.00 0.00 57.90 57.14 3ml0 n TYR 12 Cb 0.27 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3ml0 n TYR 12 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ml0 n GLY 13 N 1.11 0.06 3.63 2.72 0.00 -1.00 -5.02 105.19 106.69 3ml0 n GLY 13 Ca 0.23 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3ml0 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ml0 s VAL 14 N -2.56 5.32 0.36 1.61 1.01 -1.26 -4.84 120.40 120.04 3ml0 s VAL 14 Ca 0.04 0.24 -0.26 0.00 0.00 0.00 0.00 61.98 62.00 3ml0 s VAL 14 Cb -0.02 -3.54 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 3ml0 s VAL 14 CO 0.05 0.28 1.06 -2.16 0.00 0.00 0.00 175.10 174.33 3ml0 s PRO 15 N 1.45 4.32 -0.20 2.72 0.04 -1.26 -2.05 135.00 140.02 3ml0 s PRO 15 Ca 0.09 1.59 -0.00 0.00 0.04 0.00 0.00 61.00 62.71 3ml0 s PRO 15 Cb -0.15 -2.74 0.05 0.00 0.04 0.00 0.00 34.50 31.70 3ml0 s PRO 15 CO 0.08 -0.02 -0.05 -1.01 0.04 0.00 0.00 177.00 176.04 3ml0 s HIS 16 N -1.51 1.93 -0.14 0.56 3.76 0.19 -4.97 115.29 115.11 3ml0 s HIS 16 Ca 0.54 -1.34 -0.15 0.00 -0.15 0.00 0.00 55.06 53.95 3ml0 s HIS 16 Cb -0.25 -1.40 -0.05 0.00 1.11 0.00 0.00 32.58 32.00 3ml0 s HIS 16 CO 0.31 -0.68 0.36 0.08 -0.85 0.00 0.00 174.74 173.95 3ml0 s VAL 17 N 1.56 5.26 -0.17 -0.90 1.01 -1.26 -1.60 120.40 124.29 3ml0 s VAL 17 Ca -0.02 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3ml0 s VAL 17 Cb -0.17 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3ml0 s VAL 17 CO -0.07 0.38 -0.16 -0.36 0.00 0.00 0.00 175.10 174.89 3ml0 s PHE 18 N 0.42 2.79 0.29 5.22 0.08 -0.60 -5.03 117.98 121.15 3ml0 s PHE 18 Ca 0.20 -1.25 -0.04 0.00 0.12 0.00 0.00 56.93 55.96 3ml0 s PHE 18 Cb -0.14 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.41 3ml0 s PHE 18 CO 0.06 -0.61 0.46 0.00 -0.10 0.00 0.00 175.22 175.03 3ml0 n ALA 19 N 4.35 -0.59 0.00 5.36 0.00 -1.26 -2.47 120.51 125.90 3ml0 n ALA 19 Ca -0.20 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.03 3ml0 n ALA 19 Cb 0.51 0.98 0.00 0.00 0.00 0.00 0.00 19.45 20.94 3ml0 n ALA 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ml0 n ASP 20 N -1.64 3.65 -4.54 0.00 8.00 -1.26 -4.97 116.55 115.79 3ml0 n ASP 20 Ca -0.02 -0.03 -0.24 0.00 0.71 0.00 0.00 54.79 55.21 3ml0 n ASP 20 Cb 0.47 0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 42.27 3ml0 n ASP 20 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ml0 s SER 21 N -1.52 3.94 0.27 -2.24 1.04 -1.26 -5.04 113.70 108.89 3ml0 s SER 21 Ca 0.00 -0.93 -0.02 0.00 0.48 0.00 0.00 55.95 55.49 3ml0 s SER 21 Cb 0.00 -0.49 0.37 0.00 0.10 0.00 0.00 66.02 66.00 3ml0 s SER 21 CO 0.00 -0.02 1.81 0.45 0.98 0.00 0.00 173.24 176.46 3ml0 h HIS 22 N 2.09 0.87 -0.35 5.02 3.86 -1.94 -1.90 115.15 122.79 3ml0 h HIS 22 Ca -0.42 -0.09 -0.14 0.00 -1.16 0.00 0.00 60.37 58.57 3ml0 h HIS 22 Cb 1.26 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.46 3ml0 h HIS 22 CO 0.76 0.74 -0.32 -0.92 0.86 0.00 0.00 177.93 179.05 3ml0 h TYR 23 N 0.80 0.92 -0.06 2.45 3.20 -1.89 -3.24 116.97 119.14 3ml0 h TYR 23 Ca 0.17 -0.25 -0.22 0.00 3.14 0.00 0.00 58.73 61.57 3ml0 h TYR 23 Cb 0.33 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.40 3ml0 h TYR 23 CO 0.02 1.00 -0.87 0.78 -1.64 0.00 0.00 178.16 177.45 3ml0 h GLY 24 N 0.93 0.65 1.13 1.82 0.00 -1.85 -2.82 103.07 102.93 3ml0 h GLY 24 Ca 0.07 -1.02 -0.04 0.00 0.00 0.00 0.00 47.33 46.34 3ml0 h GLY 24 CO 0.08 0.90 0.31 -2.00 0.00 0.00 0.00 176.54 175.82 3ml0 h LEU 25 N 0.37 1.01 -0.91 3.11 5.85 -1.41 -2.69 115.31 120.64 3ml0 h LEU 25 Ca -0.07 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3ml0 h LEU 25 Cb 1.49 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3ml0 h LEU 25 CO 0.16 0.89 -0.22 -1.22 -0.34 0.00 0.00 178.44 177.71 3ml0 n TYR 26 N -4.29 0.00 -0.03 1.25 4.01 -1.22 -2.92 117.16 113.95 3ml0 n TYR 26 Ca 0.07 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.66 3ml0 n TYR 26 Cb 0.18 -0.05 -0.11 0.00 -0.31 0.00 0.00 39.34 39.04 3ml0 n TYR 26 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3ml0 h TYR 27 N 2.22 0.21 -0.18 -0.72 3.20 -1.21 -1.10 116.97 119.40 3ml0 h TYR 27 Ca 0.00 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.64 3ml0 h TYR 27 Cb 0.63 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 3ml0 h TYR 27 CO 0.00 0.90 -0.41 0.78 -1.64 0.00 0.00 178.16 177.79 3ml0 h GLY 28 N -0.53 0.45 1.03 1.82 0.00 -1.63 0.06 103.07 104.28 3ml0 h GLY 28 Ca -0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 3ml0 h GLY 28 CO 0.04 0.40 -0.02 -1.82 0.00 0.00 0.00 176.54 175.14 3ml0 h TYR 29 N 0.35 1.01 -0.18 5.60 3.20 -1.62 -0.89 116.97 124.44 3ml0 h TYR 29 Ca 0.03 -0.18 -0.10 0.00 3.14 0.00 0.00 58.73 61.62 3ml0 h TYR 29 Cb 0.86 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 3ml0 h TYR 29 CO 0.03 0.94 -0.32 0.78 -1.64 0.00 0.00 178.16 177.95 3ml0 h GLY 30 N 0.78 0.39 1.48 1.82 0.00 -1.01 -2.84 103.07 103.70 3ml0 h GLY 30 Ca 0.14 -0.34 -0.16 0.00 0.00 0.00 0.00 47.33 46.97 3ml0 h GLY 30 CO 0.03 0.31 -0.58 -1.82 0.00 0.00 0.00 176.54 174.48 3ml0 h TYR 31 N 0.32 0.68 -0.23 5.60 3.20 -0.80 -2.99 116.97 122.74 3ml0 h TYR 31 Ca 0.04 -0.25 -0.17 0.00 3.14 0.00 0.00 58.73 61.49 3ml0 h TYR 31 Cb 0.72 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 3ml0 h TYR 31 CO 0.02 0.98 -0.56 0.00 -1.64 0.00 0.00 178.16 176.96 3ml0 h ALA 32 N 0.96 0.58 -0.46 1.82 0.00 -1.09 -2.84 119.26 118.24 3ml0 h ALA 32 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 3ml0 h ALA 32 Cb 1.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3ml0 h ALA 32 CO 0.11 0.69 -0.17 0.28 0.00 0.00 0.00 179.25 180.16 3ml0 h VAL 33 N 0.54 1.27 -0.26 0.00 2.07 -1.56 -2.59 116.25 115.71 3ml0 h VAL 33 Ca 0.01 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 3ml0 h VAL 33 Cb 1.14 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3ml0 h VAL 33 CO 0.11 0.44 -0.05 0.00 0.02 0.00 0.00 177.57 178.10 3ml0 h ALA 34 N 1.03 1.44 -0.13 1.67 0.00 -1.48 0.58 119.26 122.35 3ml0 h ALA 34 Ca 0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3ml0 h ALA 34 Cb 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ml0 h ALA 34 CO 0.05 0.40 -0.26 1.96 0.00 0.00 0.00 179.25 181.40 3ml0 h GLN 35 N 0.39 0.41 0.07 0.00 4.20 -1.33 -3.33 115.11 115.51 3ml0 h GLN 35 Ca 0.08 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 3ml0 h GLN 35 Cb 0.34 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3ml0 h GLN 35 CO 0.01 0.86 -0.03 -0.44 -0.67 0.00 0.00 178.83 178.56 3ml0 h ASP 36 N 0.01 -0.07 -3.90 1.46 3.32 -1.33 -3.44 116.42 112.47 3ml0 h ASP 36 Ca 0.01 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.43 3ml0 h ASP 36 Cb 0.84 0.02 -0.40 0.00 0.22 0.00 0.00 39.33 40.01 3ml0 h ASP 36 CO 0.06 0.22 -0.69 -0.13 -1.72 0.00 0.00 179.24 176.98 3ml0 s ARG 37 N -1.70 1.58 -0.19 3.56 0.52 0.18 -4.94 118.95 117.96 3ml0 s ARG 37 Ca -0.01 -2.18 -0.16 0.00 -0.52 0.00 0.00 55.73 52.86 3ml0 s ARG 37 Cb 0.00 -2.90 -0.21 0.00 0.52 0.00 0.00 34.95 32.36 3ml0 s ARG 37 CO 0.04 -1.08 0.22 -0.11 0.02 0.00 0.00 175.30 174.38 3ml0 n LEU 38 N 3.59 2.14 0.05 2.53 0.00 -1.25 -3.97 117.00 120.09 3ml0 n LEU 38 Ca 0.05 0.34 -0.08 0.00 0.00 0.00 0.00 56.01 56.32 3ml0 n LEU 38 Cb 0.35 -1.01 0.07 0.00 0.00 0.00 0.00 43.42 42.84 3ml0 n LEU 38 CO 0.27 0.50 0.44 0.15 0.00 0.00 0.00 177.39 178.74 3ml0 h PHE 39 N -0.63 0.48 -0.74 1.96 3.57 -1.92 -2.63 116.94 117.03 3ml0 h PHE 39 Ca -0.40 -0.19 -0.05 0.00 3.53 0.00 0.00 57.97 60.85 3ml0 h PHE 39 Cb 1.57 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.20 3ml0 h PHE 39 CO 0.08 0.90 0.25 0.37 -2.23 0.00 0.00 178.31 177.68 3ml0 h GLN 40 N 0.27 1.14 0.00 1.11 4.15 -1.97 -2.12 115.11 117.69 3ml0 h GLN 40 Ca -0.01 -0.23 -0.18 0.00 0.77 0.00 0.00 58.65 59.00 3ml0 h GLN 40 Cb 1.17 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.66 3ml0 h GLN 40 CO 0.11 0.95 -0.87 0.52 -1.93 0.00 0.00 178.83 177.61 3ml0 h MET 41 N 1.10 0.00 -0.18 1.69 2.86 -1.68 -1.69 114.93 117.03 3ml0 h MET 41 Ca 0.24 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.77 3ml0 h MET 41 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3ml0 h MET 41 CO -0.01 0.87 -0.39 0.22 1.06 0.00 0.00 176.91 178.66 3ml0 h ASP 42 N 0.00 0.43 1.58 1.22 3.58 -1.32 -2.35 116.42 119.55 3ml0 h ASP 42 Ca -0.01 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.26 3ml0 h ASP 42 Cb 1.64 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.57 3ml0 h ASP 42 CO 0.11 0.78 -0.34 0.24 -2.88 0.00 0.00 179.24 177.15 3ml0 h MET 43 N 0.34 0.00 -0.01 0.28 2.86 -1.39 -3.29 114.93 113.73 3ml0 h MET 43 Ca 0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3ml0 h MET 43 Cb 0.84 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 3ml0 h MET 43 CO 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 176.91 178.02 3ml0 h ALA 44 N 2.08 0.02 -0.93 6.32 0.00 -0.97 -2.83 119.26 122.94 3ml0 h ALA 44 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3ml0 h ALA 44 Cb 0.96 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3ml0 h ALA 44 CO 0.00 -0.20 0.61 0.07 0.00 0.00 0.00 179.25 179.73 3ml0 h ARG 45 N -0.50 1.23 0.00 0.00 0.11 -1.56 -2.43 114.38 111.22 3ml0 h ARG 45 Ca 0.00 -0.08 -0.06 0.00 0.10 0.00 0.00 59.98 59.94 3ml0 h ARG 45 Cb 0.56 -0.27 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 3ml0 h ARG 45 CO 0.00 0.82 -0.31 0.00 0.10 0.00 0.00 179.97 180.58 3ml0 h ARG 46 N 1.26 0.00 0.00 0.08 3.08 -1.63 0.47 114.38 117.65 3ml0 h ARG 46 Ca 0.34 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.35 3ml0 h ARG 46 Cb -0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 3ml0 h ARG 46 CO -0.07 0.31 -0.16 0.77 -1.07 0.00 0.00 179.97 179.74 3ml0 h SER 47 N 0.00 0.00 0.00 7.04 0.02 -1.17 -1.78 113.55 117.66 3ml0 h SER 47 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3ml0 h SER 47 Cb 0.62 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 3ml0 h SER 47 CO 0.04 0.16 -1.35 0.49 -1.14 0.00 0.00 176.83 175.03 3ml0 n PHE 48 N -3.24 0.00 0.01 3.45 3.72 -0.99 -4.57 117.46 115.84 3ml0 n PHE 48 Ca 0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.48 3ml0 n PHE 48 Cb 0.46 -0.19 -0.11 0.00 -0.94 0.00 0.00 39.48 38.70 3ml0 n PHE 48 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3ml0 n VAL 49 N -1.81 0.52 -0.75 -4.37 3.14 0.12 -4.83 118.33 110.35 3ml0 n VAL 49 Ca -0.03 -0.59 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 3ml0 n VAL 49 Cb 0.26 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3ml0 n VAL 49 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ml0 n GLY 50 N 1.33 0.80 1.60 7.55 0.00 -0.82 -4.77 105.19 110.88 3ml0 n GLY 50 Ca -0.08 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.49 3ml0 n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ml0 n THR 51 N -0.63 0.45 0.04 2.61 -2.24 -0.73 -4.89 114.28 108.89 3ml0 n THR 51 Ca 0.00 -1.56 -0.05 0.00 -2.27 0.00 0.00 64.05 60.17 3ml0 n THR 51 Cb 0.23 0.88 0.14 0.00 -2.10 0.00 0.00 70.33 69.48 3ml0 n THR 51 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3ml0 h THR 52 N 6.10 1.32 0.00 4.28 1.35 -1.88 -3.08 112.91 121.01 3ml0 h THR 52 Ca -0.18 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 3ml0 h THR 52 Cb 1.71 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 3ml0 h THR 52 CO 0.11 0.50 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 3ml0 n ALA 53 N -2.49 2.00 0.21 6.62 0.00 -1.26 -2.32 120.51 123.26 3ml0 n ALA 53 Ca -0.02 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3ml0 n ALA 53 Cb 0.52 -1.43 0.44 0.00 0.00 0.00 0.00 19.45 18.99 3ml0 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ml0 h ALA 54 N 2.44 1.18 0.00 0.00 0.00 -1.84 -1.88 119.26 119.16 3ml0 h ALA 54 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ml0 h ALA 54 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ml0 h ALA 54 CO 0.00 0.39 -0.98 1.33 0.00 0.00 0.00 179.25 179.99 3ml0 n VAL 55 N -3.73 0.00 0.53 0.00 0.24 -1.22 -4.71 118.33 109.44 3ml0 n VAL 55 Ca -0.01 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.40 3ml0 n VAL 55 Cb 0.41 -0.97 0.02 0.00 -1.47 0.00 0.00 33.84 31.83 3ml0 n VAL 55 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3ml0 n LEU 56 N -1.97 0.61 0.00 1.34 4.77 -0.98 -4.93 117.00 115.83 3ml0 n LEU 56 Ca 0.00 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3ml0 n LEU 56 Cb 0.49 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3ml0 n LEU 56 CO 0.00 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 3ml0 n GLY 57 N 1.36 0.03 3.82 -0.72 0.00 -0.70 -4.80 105.19 104.17 3ml0 n GLY 57 Ca 0.02 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 3ml0 n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ml0 s PRO 58 N 0.00 4.24 0.70 1.61 0.04 -1.26 -4.50 135.00 135.83 3ml0 s PRO 58 Ca 0.00 0.85 -0.07 0.00 0.04 0.00 0.00 61.00 61.82 3ml0 s PRO 58 Cb 0.00 -2.88 0.06 0.00 0.04 0.00 0.00 34.50 31.71 3ml0 s PRO 58 CO 0.00 0.40 1.02 0.20 0.04 0.00 0.00 177.00 178.66 3ml0 s GLY 59 N -1.65 1.67 0.39 0.56 0.00 -1.26 -4.84 107.32 102.18 3ml0 s GLY 59 Ca 0.43 -0.87 0.34 0.00 0.00 0.00 0.00 44.72 44.62 3ml0 s GLY 59 CO 0.21 -0.47 1.14 1.18 0.00 0.00 0.00 173.10 175.15 3ml0 n GLU 60 N -2.91 -0.01 -2.80 2.90 1.02 -1.26 -1.16 120.64 116.42 3ml0 n GLU 60 Ca 0.08 0.81 -0.10 0.00 -0.02 0.00 0.00 57.16 57.93 3ml0 n GLU 60 Cb 0.60 -1.82 0.06 0.00 -0.02 0.00 0.00 31.44 30.27 3ml0 n GLU 60 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3ml0 n GLN 61 N -3.54 1.08 -3.44 3.49 6.02 -1.26 -4.96 117.38 114.76 3ml0 n GLN 61 Ca 0.32 -2.42 -0.25 0.00 -0.01 0.00 0.00 57.00 54.64 3ml0 n GLN 61 Cb 1.41 -0.92 0.02 0.00 1.02 0.00 0.00 30.24 31.77 3ml0 n GLN 61 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3ml0 n ASP 62 N -0.00 -5.05 0.06 1.08 8.00 -0.31 -4.87 116.55 115.46 3ml0 n ASP 62 Ca 0.08 -0.48 -0.13 0.00 0.71 0.00 0.00 54.79 54.97 3ml0 n ASP 62 Cb 0.75 -4.07 -0.03 0.00 -0.02 0.00 0.00 41.12 37.76 3ml0 n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ml0 h ALA 63 N 0.99 0.43 0.00 2.24 0.00 -1.92 -0.22 119.26 120.76 3ml0 h ALA 63 Ca -0.52 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 53.72 3ml0 h ALA 63 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3ml0 h ALA 63 CO 0.59 0.79 0.00 1.88 0.00 0.00 0.00 179.25 182.51 3ml0 h TYR 64 N 0.26 0.00 0.00 0.00 0.05 -1.89 -3.08 116.97 112.31 3ml0 h TYR 64 Ca -0.06 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.55 3ml0 h TYR 64 Cb 1.49 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.20 3ml0 h TYR 64 CO 0.06 0.00 -1.12 0.28 -1.05 0.00 0.00 178.16 176.32 3ml0 n VAL 65 N -3.01 1.50 -0.26 -2.88 0.31 -1.19 -2.84 118.33 109.96 3ml0 n VAL 65 Ca 0.04 0.03 0.04 0.00 -0.01 0.00 0.00 64.34 64.44 3ml0 n VAL 65 Cb 0.50 -2.15 0.17 0.00 -0.91 0.00 0.00 33.84 31.45 3ml0 n VAL 65 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3ml0 h LYS 66 N -1.00 0.54 -0.73 5.55 1.57 -1.17 0.21 116.57 121.54 3ml0 h LYS 66 Ca -0.26 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 3ml0 h LYS 66 Cb 1.07 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 3ml0 h LYS 66 CO -0.16 0.36 0.32 -0.92 -0.57 0.00 0.00 179.45 178.48 3ml0 h TYR 67 N 0.55 1.09 0.00 -1.35 3.20 -1.74 -2.99 116.97 115.74 3ml0 h TYR 67 Ca 0.40 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 3ml0 h TYR 67 Cb 0.52 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 3ml0 h TYR 67 CO -0.12 0.82 -0.06 0.22 -1.64 0.00 0.00 178.16 177.38 3ml0 h ASP 68 N 1.04 0.00 1.09 -2.11 3.58 -0.49 -0.14 116.42 119.39 3ml0 h ASP 68 Ca 0.25 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.51 3ml0 h ASP 68 Cb 0.17 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.20 3ml0 h ASP 68 CO -0.02 0.06 -0.90 0.24 -2.88 0.00 0.00 179.24 175.73 3ml0 h MET 69 N 0.00 0.00 -0.26 0.28 2.86 -1.15 -3.20 114.93 113.46 3ml0 h MET 69 Ca -0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 3ml0 h MET 69 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3ml0 h MET 69 CO 0.01 0.90 -0.50 0.37 1.06 0.00 0.00 176.91 178.75 3ml0 h GLN 70 N 0.00 0.79 -0.17 1.72 5.75 -0.90 -2.85 115.11 119.45 3ml0 h GLN 70 Ca -0.01 -0.51 -0.19 0.00 -0.15 0.00 0.00 58.65 57.79 3ml0 h GLN 70 Cb 1.69 0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.30 3ml0 h GLN 70 CO 0.12 1.14 -0.66 -0.24 -2.65 0.00 0.00 178.83 176.53 3ml0 h VAL 71 N 0.54 1.31 0.00 2.39 3.04 -1.47 -3.04 116.25 119.02 3ml0 h VAL 71 Ca 0.01 -1.92 -0.05 0.00 -1.01 0.00 0.00 66.70 63.73 3ml0 h VAL 71 Cb 1.11 1.89 -0.01 0.00 -2.01 0.00 0.00 31.29 32.27 3ml0 h VAL 71 CO 0.11 0.60 -0.25 0.03 -1.01 0.00 0.00 177.57 177.05 3ml0 h ARG 72 N 0.47 0.00 -0.03 4.17 2.47 -1.61 -3.01 114.38 116.83 3ml0 h ARG 72 Ca -0.02 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.51 3ml0 h ARG 72 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 3ml0 h ARG 72 CO 0.13 0.25 -0.81 0.37 0.56 0.00 0.00 179.97 180.47 3ml0 h GLN 73 N 0.00 0.31 -0.55 0.04 4.15 -1.40 -3.33 115.11 114.33 3ml0 h GLN 73 Ca -0.00 -0.29 -0.09 0.00 0.77 0.00 0.00 58.65 59.03 3ml0 h GLN 73 Cb 0.57 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.31 3ml0 h GLN 73 CO 0.03 0.97 -0.02 -0.91 -1.93 0.00 0.00 178.83 176.97 3ml0 h ASN 74 N 0.19 0.93 -1.98 -0.69 2.35 -1.43 -3.45 115.58 111.51 3ml0 h ASN 74 Ca -0.04 -0.26 -0.58 0.00 -0.55 0.00 0.00 56.30 54.87 3ml0 h ASN 74 Cb 1.41 -0.25 -0.10 0.00 0.05 0.00 0.00 38.32 39.42 3ml0 h ASN 74 CO 0.13 1.00 -0.62 0.72 -1.65 0.00 0.00 177.43 177.02 3ml0 s PHE 75 N -4.97 2.58 -0.16 1.19 -0.71 -1.25 -5.13 117.98 109.52 3ml0 s PHE 75 Ca -0.11 -0.39 0.01 0.00 -1.04 0.00 0.00 56.93 55.41 3ml0 s PHE 75 Cb 0.14 -1.43 0.01 0.00 -1.21 0.00 0.00 43.02 40.53 3ml0 s PHE 75 CO 0.84 0.50 -0.20 0.95 -1.34 0.00 0.00 175.22 175.97 3ml0 s THR 76 N -2.47 2.17 0.35 -4.49 -4.23 -1.26 -4.90 115.64 100.80 3ml0 s THR 76 Ca 0.34 -0.92 0.06 0.00 -1.18 0.00 0.00 61.69 59.99 3ml0 s THR 76 Cb -0.02 -1.90 0.15 0.00 1.34 0.00 0.00 72.50 72.08 3ml0 s THR 76 CO 0.20 0.54 1.88 -0.65 -0.54 0.00 0.00 174.62 176.04 3ml0 h PRO 77 N 7.66 0.40 -0.20 3.99 0.11 -2.01 -3.00 132.00 138.96 3ml0 h PRO 77 Ca -0.40 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 3ml0 h PRO 77 Cb 1.16 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3ml0 h PRO 77 CO 0.60 0.49 -0.25 0.00 -0.21 0.00 0.00 178.00 178.63 3ml0 h ALA 78 N 1.55 1.22 -0.09 -0.75 0.00 -2.00 -2.20 119.26 116.98 3ml0 h ALA 78 Ca 0.08 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 3ml0 h ALA 78 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ml0 h ALA 78 CO 0.02 0.51 -0.56 1.03 0.00 0.00 0.00 179.25 180.25 3ml0 h SER 79 N 0.32 0.31 0.41 0.00 0.87 -1.97 -3.19 113.55 110.30 3ml0 h SER 79 Ca 0.05 -0.17 -0.31 0.00 -1.23 0.00 0.00 61.79 60.13 3ml0 h SER 79 Cb 0.62 -0.09 0.02 0.00 -0.44 0.00 0.00 62.40 62.51 3ml0 h SER 79 CO 0.04 0.81 -1.42 0.40 -0.53 0.00 0.00 176.83 176.13 3ml0 h ILE 80 N 0.22 1.33 -0.88 2.23 2.04 -1.55 -3.24 117.51 117.66 3ml0 h ILE 80 Ca 0.00 -2.83 0.08 0.00 1.00 0.00 0.00 64.86 63.11 3ml0 h ILE 80 Cb 1.05 2.98 -0.06 0.00 -0.74 0.00 0.00 36.82 40.04 3ml0 h ILE 80 CO 0.09 0.84 0.57 1.56 0.00 0.00 0.00 178.15 181.21 3ml0 h GLN 81 N 0.11 0.89 -0.30 2.37 1.08 -1.43 -1.39 115.11 116.44 3ml0 h GLN 81 Ca -0.22 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 56.78 3ml0 h GLN 81 Cb 2.09 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 29.31 3ml0 h GLN 81 CO 0.24 0.59 -0.42 0.00 -0.95 0.00 0.00 178.83 178.29 3ml0 h ARG 82 N 0.91 0.74 -0.34 1.46 3.08 -1.65 -2.91 114.38 115.68 3ml0 h ARG 82 Ca 0.40 -0.40 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 3ml0 h ARG 82 Cb 0.33 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3ml0 h ARG 82 CO -0.16 1.02 -0.20 1.96 -1.07 0.00 0.00 179.97 181.52 3ml0 h GLN 83 N 0.60 0.64 -0.18 0.04 4.20 -1.31 -1.61 115.11 117.49 3ml0 h GLN 83 Ca 0.05 -0.23 -0.19 0.00 0.06 0.00 0.00 58.65 58.33 3ml0 h GLN 83 Cb 0.97 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.72 3ml0 h GLN 83 CO 0.09 0.79 -0.64 0.82 -0.67 0.00 0.00 178.83 179.22 3ml0 h ILE 84 N 0.57 1.30 0.00 2.54 2.04 -1.39 -3.21 117.51 119.35 3ml0 h ILE 84 Ca 0.09 -1.86 -0.06 0.00 1.00 0.00 0.00 64.86 64.03 3ml0 h ILE 84 Cb 0.65 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 3ml0 h ILE 84 CO 0.05 0.59 -0.27 0.00 0.00 0.00 0.00 178.15 178.51 3ml0 h ALA 85 N 0.57 1.18 0.00 1.87 0.00 -1.38 -2.83 119.26 118.65 3ml0 h ALA 85 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ml0 h ALA 85 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ml0 h ALA 85 CO 0.14 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3ml0 h ALA 86 N 1.73 1.00 -2.45 0.00 0.00 -1.30 -3.45 119.26 114.79 3ml0 h ALA 86 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 3ml0 h ALA 86 Cb 0.64 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.52 3ml0 h ALA 86 CO 0.04 0.00 0.38 -0.51 0.00 0.00 0.00 179.25 179.16 3ml0 s LEU 87 N -5.22 3.45 1.11 0.00 1.43 -1.07 -5.05 118.68 113.32 3ml0 s LEU 87 Ca 0.06 1.98 -0.18 0.00 -1.03 0.00 0.00 54.13 54.96 3ml0 s LEU 87 Cb 0.09 -4.55 0.26 0.00 0.03 0.00 0.00 46.19 42.02 3ml0 s LEU 87 CO 0.53 -1.49 1.22 -0.94 0.23 0.00 0.00 176.35 175.90 3ml0 s SER 88 N -2.53 1.82 0.12 2.29 1.04 -1.26 -4.77 113.70 110.41 3ml0 s SER 88 Ca 0.67 0.40 -0.17 0.00 0.48 0.00 0.00 55.95 57.32 3ml0 s SER 88 Cb -0.20 -0.49 -0.03 0.00 0.10 0.00 0.00 66.02 65.40 3ml0 s SER 88 CO 0.39 -3.55 1.68 0.50 0.98 0.00 0.00 173.24 173.24 3ml0 h LYS 89 N -2.20 0.49 -0.01 4.02 3.64 -1.98 -1.41 116.57 119.13 3ml0 h LYS 89 Ca -0.44 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 58.74 3ml0 h LYS 89 Cb 1.26 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3ml0 h LYS 89 CO 0.33 0.48 -0.54 -0.44 -2.27 0.00 0.00 179.45 177.01 3ml0 h ASP 90 N 0.39 0.02 0.56 4.20 3.32 -2.00 -2.88 116.42 120.03 3ml0 h ASP 90 Ca 0.11 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.93 3ml0 h ASP 90 Cb 0.16 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3ml0 h ASP 90 CO -0.01 0.56 -0.97 -0.33 -1.72 0.00 0.00 179.24 176.77 3ml0 h GLU 91 N 0.02 0.25 0.00 3.56 5.08 -1.88 -3.26 114.58 118.35 3ml0 h GLU 91 Ca -0.00 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 57.93 3ml0 h GLU 91 Cb 0.97 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3ml0 h GLU 91 CO 0.07 1.04 -0.57 0.00 -1.00 0.00 0.00 179.01 178.56 3ml0 h ARG 92 N 0.13 0.00 0.00 2.33 3.08 -1.24 -3.17 114.38 115.50 3ml0 h ARG 92 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3ml0 h ARG 92 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.68 3ml0 h ARG 92 CO 0.15 0.57 0.00 -0.44 -1.07 0.00 0.00 179.97 179.19 3ml0 h ASP 93 N 0.00 0.00 -0.32 7.04 5.19 -1.54 -0.83 116.42 125.96 3ml0 h ASP 93 Ca -0.01 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.32 3ml0 h ASP 93 Cb 1.21 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.72 3ml0 h ASP 93 CO 0.07 0.00 -0.13 0.40 -3.12 0.00 0.00 179.24 176.46 3ml0 h ILE 94 N 0.00 1.29 0.17 0.35 2.04 -1.64 -0.35 117.51 119.37 3ml0 h ILE 94 Ca 0.00 -1.22 -0.34 0.00 1.00 0.00 0.00 64.86 64.30 3ml0 h ILE 94 Cb 0.42 1.42 0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3ml0 h ILE 94 CO 0.00 0.39 -1.65 -0.26 0.00 0.00 0.00 178.15 176.63 3ml0 h PHE 95 N 0.41 0.66 -0.50 1.37 -1.00 -1.65 -3.03 116.94 113.20 3ml0 h PHE 95 Ca 0.07 -0.48 -0.12 0.00 2.81 0.00 0.00 57.97 60.26 3ml0 h PHE 95 Cb 0.65 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 3ml0 h PHE 95 CO 0.06 1.56 -0.14 0.00 -1.61 0.00 0.00 178.31 178.18 3ml0 h ARG 96 N 0.10 0.98 -0.29 1.51 3.08 -1.26 -1.79 114.38 116.71 3ml0 h ARG 96 Ca -0.30 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.30 3ml0 h ARG 96 Cb 2.08 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 32.06 3ml0 h ARG 96 CO 0.18 1.06 -0.08 0.78 -1.07 0.00 0.00 179.97 180.84 3ml0 h GLY 97 N 0.84 0.52 1.39 0.04 0.00 -1.19 0.28 103.07 104.95 3ml0 h GLY 97 Ca 0.12 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 3ml0 h GLY 97 CO 0.05 0.31 -0.43 -1.82 0.00 0.00 0.00 176.54 174.65 3ml0 h TYR 98 N 0.45 0.80 -0.11 5.60 5.03 -1.39 -0.33 116.97 127.01 3ml0 h TYR 98 Ca 0.09 -0.24 -0.11 0.00 2.58 0.00 0.00 58.73 61.04 3ml0 h TYR 98 Cb 0.42 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.54 3ml0 h TYR 98 CO 0.01 0.98 -0.38 0.00 -1.32 0.00 0.00 178.16 177.46 3ml0 h ALA 99 N 0.98 0.20 -0.03 1.82 0.00 -1.00 -2.47 119.26 118.75 3ml0 h ALA 99 Ca 0.04 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 3ml0 h ALA 99 Cb 0.97 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3ml0 h ALA 99 CO 0.09 0.29 -0.53 -0.44 0.00 0.00 0.00 179.25 178.66 3ml0 h ASP 100 N 0.04 0.10 -0.25 0.00 3.32 -0.98 -1.98 116.42 116.68 3ml0 h ASP 100 Ca -0.02 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.82 3ml0 h ASP 100 Cb 1.00 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3ml0 h ASP 100 CO 0.08 0.61 -0.44 1.23 -1.72 0.00 0.00 179.24 179.00 3ml0 h GLY 101 N 1.51 0.88 1.40 2.75 0.00 -1.09 -1.69 103.07 106.83 3ml0 h GLY 101 Ca -0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 47.33 46.24 3ml0 h GLY 101 CO 0.07 0.84 -0.47 -1.82 0.00 0.00 0.00 176.54 175.16 3ml0 h TYR 102 N 0.65 0.78 0.00 5.60 3.20 -1.37 -3.08 116.97 122.75 3ml0 h TYR 102 Ca 0.04 -0.25 -0.02 0.00 3.14 0.00 0.00 58.73 61.64 3ml0 h TYR 102 Cb 1.02 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 3ml0 h TYR 102 CO 0.06 0.99 -0.08 -0.91 -1.64 0.00 0.00 178.16 176.58 3ml0 h ASN 103 N 0.51 0.00 -0.19 -2.11 4.21 -1.32 -2.84 115.58 113.84 3ml0 h ASN 103 Ca 0.03 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.52 3ml0 h ASN 103 Cb 1.01 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.21 3ml0 h ASN 103 CO 0.10 0.08 0.05 0.00 -1.29 0.00 0.00 177.43 176.36 3ml0 h ALA 104 N 1.92 0.25 0.00 -0.83 0.00 -1.22 -1.01 119.26 118.37 3ml0 h ALA 104 Ca -0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 3ml0 h ALA 104 Cb 0.79 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3ml0 h ALA 104 CO 0.01 -0.12 -0.71 -0.92 0.00 0.00 0.00 179.25 177.51 3ml0 h TYR 105 N 0.12 0.00 -0.40 0.00 3.20 -1.64 -3.21 116.97 115.04 3ml0 h TYR 105 Ca 0.06 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 3ml0 h TYR 105 Cb 0.24 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3ml0 h TYR 105 CO 0.00 0.71 -0.12 1.25 -1.64 0.00 0.00 178.16 178.36 3ml0 h LEU 106 N 0.00 0.70 -1.13 2.82 5.85 -1.35 -2.49 115.31 119.71 3ml0 h LEU 106 Ca -0.01 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 3ml0 h LEU 106 Cb 1.36 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3ml0 h LEU 106 CO 0.09 0.85 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.76 3ml0 h GLU 107 N 0.65 0.00 0.00 1.25 4.81 -1.21 -2.67 114.58 117.41 3ml0 h GLU 107 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3ml0 h GLU 107 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3ml0 h GLU 107 CO 0.04 0.20 0.00 0.37 -0.73 0.00 0.00 179.01 178.89 3ml0 h GLN 108 N 0.00 0.00 -0.30 1.92 4.15 -1.46 -3.23 115.11 116.19 3ml0 h GLN 108 Ca -0.00 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 3ml0 h GLN 108 Cb 0.73 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 3ml0 h GLN 108 CO 0.03 0.00 -0.37 0.28 -1.93 0.00 0.00 178.83 176.84 3ml0 h VAL 109 N 0.00 1.29 -0.34 2.39 2.07 -1.22 -2.32 116.25 118.11 3ml0 h VAL 109 Ca 0.00 -1.53 -0.07 0.00 0.82 0.00 0.00 66.70 65.91 3ml0 h VAL 109 Cb 0.91 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 3ml0 h VAL 109 CO 0.00 0.50 -0.10 0.03 0.02 0.00 0.00 177.57 178.02 3ml0 h ARG 110 N 0.58 0.59 -0.06 1.57 -0.00 -1.63 -3.21 114.38 112.21 3ml0 h ARG 110 Ca 0.05 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.98 59.34 3ml0 h ARG 110 Cb 0.90 -0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.81 3ml0 h ARG 110 CO 0.08 0.68 -0.06 0.00 0.00 0.00 0.00 179.97 180.67 3ml0 h ARG 111 N 0.54 0.16 -4.74 0.04 3.08 -1.59 -3.42 114.38 108.45 3ml0 h ARG 111 Ca 0.10 -0.08 -0.66 0.00 0.07 0.00 0.00 59.98 59.41 3ml0 h ARG 111 Cb 0.50 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.17 3ml0 h ARG 111 CO 0.03 0.60 -0.79 1.03 -1.07 0.00 0.00 179.97 179.77 3ml0 s ARG 112 N -4.28 2.02 0.30 0.04 0.52 -0.89 -5.00 118.95 111.66 3ml0 s ARG 112 Ca -0.15 -1.34 0.24 0.00 -0.52 0.00 0.00 55.73 53.95 3ml0 s ARG 112 Cb 0.03 -2.86 1.09 0.00 0.52 0.00 0.00 34.95 33.73 3ml0 s ARG 112 CO 0.71 -0.62 1.72 -1.35 0.02 0.00 0.00 175.30 175.77 3ml0 h PRO 113 N 7.79 0.00 0.00 3.54 0.11 -1.82 -2.89 132.00 138.73 3ml0 h PRO 113 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3ml0 h PRO 113 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ml0 h PRO 113 CO 0.46 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.30 3ml0 h GLU 114 N 0.00 0.00 0.00 1.05 9.09 -1.95 -2.97 114.58 119.80 3ml0 h GLU 114 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3ml0 h GLU 114 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 3ml0 h GLU 114 CO 0.00 0.00 -0.19 1.28 0.05 0.00 0.00 179.01 180.15 3ml0 n LEU 115 N -2.83 0.25 -4.71 3.06 4.77 -1.09 -4.88 117.00 111.58 3ml0 n LEU 115 Ca 0.02 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.91 3ml0 n LEU 115 Cb 0.33 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3ml0 n LEU 115 CO 0.27 0.02 1.04 -0.22 -1.33 0.00 0.00 177.39 177.17 3ml0 s LEU 116 N -3.18 4.37 0.78 2.23 2.96 -1.12 -5.01 118.68 119.71 3ml0 s LEU 116 Ca 0.12 2.26 -0.13 0.00 -0.22 0.00 0.00 54.13 56.17 3ml0 s LEU 116 Cb 0.18 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.35 3ml0 s LEU 116 CO 0.60 -0.63 1.16 -2.84 -1.32 0.00 0.00 176.35 173.31 3ml0 s PRO 117 N 1.21 1.90 0.28 0.98 0.02 -1.26 -4.96 135.00 133.16 3ml0 s PRO 117 Ca 0.64 1.55 0.01 0.00 0.02 0.00 0.00 61.00 63.22 3ml0 s PRO 117 Cb -0.35 -1.83 0.40 0.00 0.02 0.00 0.00 34.50 32.74 3ml0 s PRO 117 CO 0.30 -1.97 1.73 -0.22 -0.33 0.00 0.00 177.00 176.50 3ml0 h LYS 118 N -0.88 0.55 -0.22 5.54 1.63 -1.99 -3.19 116.57 118.02 3ml0 h LYS 118 Ca -0.45 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.14 3ml0 h LYS 118 Cb 1.27 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.85 3ml0 h LYS 118 CO 0.48 0.72 0.08 0.93 -3.45 0.00 0.00 179.45 178.21 3ml0 h GLU 119 N 0.50 0.31 0.00 1.90 3.07 -2.00 -1.79 114.58 116.56 3ml0 h GLU 119 Ca 0.08 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.83 3ml0 h GLU 119 Cb 0.61 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3ml0 h GLU 119 CO 0.04 0.27 -0.36 1.88 -1.40 0.00 0.00 179.01 179.44 3ml0 h TYR 120 N 0.31 0.00 0.10 4.33 0.05 -1.86 -2.04 116.97 117.86 3ml0 h TYR 120 Ca 0.08 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.59 3ml0 h TYR 120 Cb 0.08 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.85 3ml0 h TYR 120 CO 0.00 0.36 -1.13 0.28 -1.05 0.00 0.00 178.16 176.62 3ml0 h VAL 121 N 0.00 1.31 -0.17 -2.88 2.07 -1.47 -1.92 116.25 113.19 3ml0 h VAL 121 Ca -0.00 -2.40 -0.08 0.00 0.82 0.00 0.00 66.70 65.04 3ml0 h VAL 121 Cb 0.69 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 33.16 3ml0 h VAL 121 CO 0.05 0.73 -0.19 0.44 0.02 0.00 0.00 177.57 178.61 3ml0 h ASP 122 N 0.20 0.47 1.67 0.57 5.19 -1.39 -3.11 116.42 120.01 3ml0 h ASP 122 Ca -0.17 -0.49 0.00 0.00 -0.62 0.00 0.00 57.03 55.75 3ml0 h ASP 122 Cb 1.81 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 41.19 3ml0 h ASP 122 CO 0.22 0.86 -0.02 -0.26 -3.12 0.00 0.00 179.24 176.92 3ml0 h PHE 123 N 0.08 0.00 -5.09 4.55 0.04 -1.52 -3.49 116.94 111.52 3ml0 h PHE 123 Ca 0.03 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 3ml0 h PHE 123 Cb 0.74 0.00 0.09 0.00 2.20 0.00 0.00 35.95 38.98 3ml0 h PHE 123 CO 0.08 0.00 -0.41 -3.47 -0.60 0.00 0.00 178.31 173.92 3ml0 n ASP 124 N -2.59 -6.49 -3.60 2.17 2.03 -0.75 -4.98 116.55 102.33 3ml0 n ASP 124 Ca 0.05 -0.36 -0.11 0.00 0.52 0.00 0.00 54.79 54.89 3ml0 n ASP 124 Cb 0.47 -4.66 -0.03 0.00 -0.72 0.00 0.00 41.12 36.18 3ml0 n ASP 124 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3ml0 s PHE 125 N -3.18 -0.29 0.06 -0.67 -0.12 -1.04 -5.06 117.98 107.68 3ml0 s PHE 125 Ca 0.22 -0.01 -0.10 0.00 -0.05 0.00 0.00 56.93 56.99 3ml0 s PHE 125 Cb -0.03 0.41 -0.06 0.00 -0.63 0.00 0.00 43.02 42.72 3ml0 s PHE 125 CO 0.65 -0.83 0.39 -0.65 -0.05 0.00 0.00 175.22 174.72 3ml0 s GLN 126 N -3.81 3.75 0.62 1.99 -1.52 -1.26 -4.76 119.66 114.66 3ml0 s GLN 126 Ca 0.04 0.17 -0.17 0.00 -1.95 0.00 0.00 55.36 53.45 3ml0 s GLN 126 Cb -0.00 -3.02 -0.02 0.00 -0.22 0.00 0.00 33.01 29.74 3ml0 s GLN 126 CO -0.09 0.58 1.14 -1.25 -0.25 0.00 0.00 175.29 175.42 3ml0 s PRO 127 N -1.82 2.94 0.08 2.91 0.04 -1.26 -5.06 135.00 132.83 3ml0 s PRO 127 Ca 0.32 1.57 0.07 0.00 0.04 0.00 0.00 61.00 63.00 3ml0 s PRO 127 Cb -0.14 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3ml0 s PRO 127 CO 0.17 -1.17 -0.14 -1.21 0.04 0.00 0.00 177.00 174.69 3ml0 s GLU 128 N -3.68 2.06 0.26 4.56 0.41 -1.26 -5.11 118.70 115.94 3ml0 s GLU 128 Ca 0.71 -1.02 -0.30 0.00 -0.41 0.00 0.00 54.97 53.95 3ml0 s GLU 128 Cb -0.24 -2.24 -0.10 0.00 -1.78 0.00 0.00 34.13 29.77 3ml0 s GLU 128 CO 0.36 0.52 1.40 -1.25 -0.49 0.00 0.00 175.26 175.80 3ml0 s PRO 129 N -1.87 4.29 0.13 0.39 0.04 -1.26 -5.01 135.00 131.72 3ml0 s PRO 129 Ca 0.18 2.27 -0.24 0.00 0.04 0.00 0.00 61.00 63.24 3ml0 s PRO 129 Cb -0.11 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.25 3ml0 s PRO 129 CO 0.09 -0.36 0.73 -1.17 0.04 0.00 0.00 177.00 176.33 3ml0 s LEU 130 N -0.64 4.57 0.35 -3.56 2.96 -1.26 -5.08 118.68 116.01 3ml0 s LEU 130 Ca 0.57 1.55 0.08 0.00 -0.22 0.00 0.00 54.13 56.10 3ml0 s LEU 130 Cb -0.41 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 3ml0 s LEU 130 CO 0.45 0.20 0.22 0.42 -1.32 0.00 0.00 176.35 176.32 3ml0 s THR 131 N -1.02 3.09 0.38 3.68 -4.23 -1.26 -4.67 115.64 111.61 3ml0 s THR 131 Ca 0.35 -1.55 0.19 0.00 -1.18 0.00 0.00 61.69 59.49 3ml0 s THR 131 Cb -0.22 -3.05 0.19 0.00 1.34 0.00 0.00 72.50 70.76 3ml0 s THR 131 CO 0.24 -0.15 1.94 -2.24 -0.54 0.00 0.00 174.62 173.88 3ml0 h ASP 132 N 1.38 0.00 0.08 3.99 3.04 -1.93 -2.45 116.42 120.54 3ml0 h ASP 132 Ca -0.44 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.24 3ml0 h ASP 132 Cb 1.25 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 3ml0 h ASP 132 CO 0.61 0.24 -0.39 0.15 -2.04 0.00 0.00 179.24 177.82 3ml0 h PHE 133 N 0.00 0.47 -0.39 4.15 3.57 -1.96 -3.16 116.94 119.63 3ml0 h PHE 133 Ca -0.00 -0.13 -0.10 0.00 3.53 0.00 0.00 57.97 61.27 3ml0 h PHE 133 Cb 0.49 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3ml0 h PHE 133 CO 0.00 0.74 -0.14 -0.44 -2.23 0.00 0.00 178.31 176.24 3ml0 h ASP 134 N 0.34 0.79 -0.79 0.41 3.32 -1.85 -2.59 116.42 116.05 3ml0 h ASP 134 Ca 0.03 -0.39 0.04 0.00 0.02 0.00 0.00 57.03 56.74 3ml0 h ASP 134 Cb 0.83 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 3ml0 h ASP 134 CO 0.07 1.00 0.50 0.58 -1.72 0.00 0.00 179.24 179.67 3ml0 h VAL 135 N 0.58 1.09 -0.36 -1.35 2.07 -1.49 -0.91 116.25 115.88 3ml0 h VAL 135 Ca 0.09 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 3ml0 h VAL 135 Cb 0.68 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3ml0 h VAL 135 CO 0.05 0.17 -0.02 0.58 0.02 0.00 0.00 177.57 178.37 3ml0 h VAL 136 N 0.95 1.26 -0.10 2.57 2.07 -1.56 -3.21 116.25 118.23 3ml0 h VAL 136 Ca 0.33 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 3ml0 h VAL 136 Cb 0.06 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3ml0 h VAL 136 CO -0.13 0.34 -0.11 0.24 0.02 0.00 0.00 177.57 177.93 3ml0 h MET 137 N 0.46 0.15 -0.07 1.57 2.07 -0.96 -1.36 114.93 116.80 3ml0 h MET 137 Ca 0.10 -0.03 -0.04 0.00 -2.07 0.00 0.00 59.70 57.66 3ml0 h MET 137 Cb 0.50 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.19 3ml0 h MET 137 CO 0.02 0.27 -0.16 0.82 1.07 0.00 0.00 176.91 178.93 3ml0 h ILE 138 N 0.15 1.15 0.20 -1.22 2.04 -1.19 0.24 117.51 118.87 3ml0 h ILE 138 Ca 0.03 -0.69 -0.34 0.00 1.00 0.00 0.00 64.86 64.86 3ml0 h ILE 138 Cb 0.28 1.28 0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3ml0 h ILE 138 CO 0.02 0.21 -1.63 -0.25 0.00 0.00 0.00 178.15 176.49 3ml0 h TRP 139 N 0.10 0.76 -0.04 1.37 7.01 -1.40 -3.25 115.95 120.50 3ml0 h TRP 139 Ca 0.02 -0.55 -0.16 0.00 2.11 0.00 0.00 58.89 60.31 3ml0 h TRP 139 Cb 0.34 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 3ml0 h TRP 139 CO 0.00 1.59 -0.68 0.28 -2.79 0.00 0.00 178.44 176.85 3ml0 h VAL 140 N 0.11 1.43 0.02 2.65 2.07 -1.09 0.64 116.25 122.08 3ml0 h VAL 140 Ca -0.30 -2.19 -0.22 0.00 0.82 0.00 0.00 66.70 64.80 3ml0 h VAL 140 Cb 2.11 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 34.04 3ml0 h VAL 140 CO 0.21 0.64 -0.96 1.23 0.02 0.00 0.00 177.57 178.71 3ml0 h GLY 141 N 1.68 0.37 0.10 2.17 0.00 -1.11 -3.23 103.07 103.05 3ml0 h GLY 141 Ca -0.01 -0.68 -0.37 0.00 0.00 0.00 0.00 47.33 46.27 3ml0 h GLY 141 CO 0.10 0.60 -2.36 -1.14 0.00 0.00 0.00 176.54 173.73 3ml0 n SER 142 N -3.69 1.09 -4.33 0.19 3.41 -1.23 -4.11 113.62 104.94 3ml0 n SER 142 Ca -0.06 -0.02 -0.35 0.00 -0.26 0.00 0.00 58.87 58.17 3ml0 n SER 142 Cb 0.85 0.18 -0.14 0.00 -0.26 0.00 0.00 64.21 64.84 3ml0 n SER 142 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3ml0 s MET 143 N -2.51 3.43 0.00 4.33 1.00 0.22 -3.75 119.30 122.01 3ml0 s MET 143 Ca -0.22 -0.60 0.00 0.00 0.00 0.00 0.00 55.69 54.87 3ml0 s MET 143 Cb 0.08 -3.06 0.00 0.00 0.00 0.00 0.00 34.83 31.85 3ml0 s MET 143 CO 0.72 -0.19 0.00 0.00 0.00 0.00 0.00 175.02 175.55 3ml0 n ALA 144 N 4.81 0.00 -0.12 3.03 0.00 -1.26 -3.84 120.51 123.12 3ml0 n ALA 144 Ca -0.18 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.09 3ml0 n ALA 144 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 3ml0 n ALA 144 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ml0 n ASN 145 N 0.00 2.14 -0.32 0.00 4.13 -1.22 -2.13 115.26 117.85 3ml0 n ASN 145 Ca 0.00 -0.11 0.12 0.00 1.68 0.00 0.00 54.58 56.27 3ml0 n ASN 145 Cb 0.00 -0.39 0.27 0.00 -1.54 0.00 0.00 39.78 38.12 3ml0 n ASN 145 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3ml0 n ARG 146 N -3.23 0.96 0.00 3.52 3.00 -1.25 -3.08 116.66 116.58 3ml0 n ARG 146 Ca -0.42 -0.64 0.00 0.00 -0.00 0.00 0.00 57.85 56.78 3ml0 n ARG 146 Cb 0.94 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.92 3ml0 n ARG 146 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3ml0 n PHE 147 N -0.46 0.00 -1.51 -0.14 3.72 -1.26 -4.81 117.46 113.00 3ml0 n PHE 147 Ca 0.11 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.58 3ml0 n PHE 147 Cb 0.38 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.06 3ml0 n PHE 147 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ml0 n SER 148 N -1.04 1.71 -0.03 4.37 2.88 -1.02 -4.60 113.62 115.89 3ml0 n SER 148 Ca 0.00 -3.16 0.00 0.00 -1.33 0.00 0.00 58.87 54.39 3ml0 n SER 148 Cb 0.13 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 3ml0 n SER 148 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3ml0 n ASP 149 N -0.96 0.30 -4.61 -3.46 2.03 -0.91 -4.70 116.55 104.24 3ml0 n ASP 149 Ca 0.14 -1.23 -0.43 0.00 0.52 0.00 0.00 54.79 53.80 3ml0 n ASP 149 Cb 0.72 -0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 41.07 3ml0 n ASP 149 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3ml0 s THR 150 N -0.17 3.31 -0.04 5.18 -4.23 -1.26 -4.96 115.64 113.48 3ml0 s THR 150 Ca 0.00 0.33 0.04 0.00 -1.18 0.00 0.00 61.69 60.88 3ml0 s THR 150 Cb 0.00 -3.40 -0.00 0.00 1.34 0.00 0.00 72.50 70.44 3ml0 s THR 150 CO 0.00 -0.23 -0.17 0.21 -0.54 0.00 0.00 174.62 173.89 3ml0 s ASN 151 N 6.57 2.08 -0.30 3.99 3.84 -1.26 -5.03 114.94 124.83 3ml0 s ASN 151 Ca 0.87 -0.34 0.19 0.00 0.21 0.00 0.00 52.86 53.79 3ml0 s ASN 151 Cb -0.27 -0.53 0.47 0.00 -0.55 0.00 0.00 41.25 40.37 3ml0 s ASN 151 CO 0.34 0.16 1.16 -0.11 -2.79 0.00 0.00 177.10 175.86 3ml0 n LEU 152 N 3.08 0.68 -0.04 3.21 7.94 -1.26 -4.93 117.00 125.68 3ml0 n LEU 152 Ca -0.18 -3.29 -0.22 0.00 -1.11 0.00 0.00 56.01 51.22 3ml0 n LEU 152 Cb 0.53 0.35 -0.13 0.00 0.53 0.00 0.00 43.42 44.71 3ml0 n LEU 152 CO 0.25 1.38 -0.85 -0.62 -1.11 0.00 0.00 177.39 176.43 3ml0 n GLU 153 N -0.61 0.70 0.10 1.96 1.02 -1.26 -3.64 120.64 118.91 3ml0 n GLU 153 Ca 0.02 0.31 0.02 0.00 -0.02 0.00 0.00 57.16 57.50 3ml0 n GLU 153 Cb 0.82 -1.68 0.38 0.00 -0.02 0.00 0.00 31.44 30.95 3ml0 n GLU 153 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3ml0 h VAL 154 N -0.20 1.17 0.01 2.62 3.04 -1.99 -0.36 116.25 120.54 3ml0 h VAL 154 Ca -0.44 -0.75 -0.20 0.00 -1.01 0.00 0.00 66.70 64.30 3ml0 h VAL 154 Cb 1.85 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 32.28 3ml0 h VAL 154 CO -0.02 0.24 -0.91 0.71 -1.01 0.00 0.00 177.57 176.58 3ml0 h THR 155 N 0.26 1.54 -0.10 3.17 1.35 -1.96 -2.86 112.91 114.31 3ml0 h THR 155 Ca 0.05 -2.78 -0.13 0.00 -0.55 0.00 0.00 66.41 63.00 3ml0 h THR 155 Cb 0.35 2.56 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 3ml0 h THR 155 CO 0.02 0.81 -0.52 0.00 -0.25 0.00 0.00 175.52 175.57 3ml0 h ALA 156 N 0.99 0.93 -0.26 6.62 0.00 -1.44 -2.67 119.26 123.43 3ml0 h ALA 156 Ca -0.04 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 3ml0 h ALA 156 Cb 1.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3ml0 h ALA 156 CO 0.13 0.67 -0.49 1.25 0.00 0.00 0.00 179.25 180.82 3ml0 h LEU 157 N 0.22 0.76 -1.18 0.00 5.85 -1.10 -2.50 115.31 117.36 3ml0 h LEU 157 Ca 0.01 -0.38 -0.09 0.00 0.84 0.00 0.00 57.88 58.26 3ml0 h LEU 157 Cb 0.99 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3ml0 h LEU 157 CO 0.08 1.12 -0.41 0.00 -0.34 0.00 0.00 178.44 178.90 3ml0 h ALA 158 N 0.90 1.29 -0.05 1.25 0.00 -1.43 -0.20 119.26 121.02 3ml0 h ALA 158 Ca 0.03 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 3ml0 h ALA 158 Cb 1.04 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.78 3ml0 h ALA 158 CO 0.10 0.51 -0.71 1.98 0.00 0.00 0.00 179.25 181.13 3ml0 h MET 159 N 0.00 0.58 -0.19 0.00 1.85 -1.41 -2.42 114.93 113.33 3ml0 h MET 159 Ca -0.00 -0.55 -0.10 0.00 -0.61 0.00 0.00 59.70 58.44 3ml0 h MET 159 Cb 0.74 0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.89 3ml0 h MET 159 CO 0.05 1.17 -0.31 -0.09 -0.40 0.00 0.00 176.91 177.33 3ml0 h ARG 160 N 0.18 0.37 -0.49 0.39 2.43 -1.32 -1.06 114.38 114.89 3ml0 h ARG 160 Ca -0.07 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 58.84 3ml0 h ARG 160 Cb 1.37 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 3ml0 h ARG 160 CO 0.14 0.65 -0.10 0.37 -1.51 0.00 0.00 179.97 179.52 3ml0 h GLN 161 N 0.32 0.89 0.01 0.20 5.75 -1.06 -2.19 115.11 119.04 3ml0 h GLN 161 Ca 0.04 -0.31 -0.21 0.00 -0.15 0.00 0.00 58.65 58.02 3ml0 h GLN 161 Cb 0.72 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 3ml0 h GLN 161 CO 0.05 0.95 -0.93 1.03 -2.65 0.00 0.00 178.83 177.28 3ml0 h SER 162 N 0.80 0.33 0.55 -0.69 0.87 -1.19 -3.14 113.55 111.08 3ml0 h SER 162 Ca 0.13 -0.28 -0.15 0.00 -1.23 0.00 0.00 61.79 60.26 3ml0 h SER 162 Cb 0.62 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 3ml0 h SER 162 CO 0.04 1.10 -0.68 -0.07 -0.53 0.00 0.00 176.83 176.68 3ml0 h LEU 163 N 0.13 0.14 -0.18 2.23 3.38 -1.16 -3.01 115.31 116.84 3ml0 h LEU 163 Ca -0.06 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ml0 h LEU 163 Cb 1.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3ml0 h LEU 163 CO 0.15 0.78 0.00 -0.62 0.09 0.00 0.00 178.44 178.83 3ml0 n GLU 164 N -3.77 0.21 0.07 1.13 1.02 -0.83 -1.61 120.64 116.85 3ml0 n GLU 164 Ca -0.02 0.25 -0.16 0.00 -0.02 0.00 0.00 57.16 57.20 3ml0 n GLU 164 Cb 0.67 -1.78 -0.14 0.00 -0.02 0.00 0.00 31.44 30.17 3ml0 n GLU 164 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ml0 h LYS 165 N 0.00 0.25 0.01 3.49 3.64 -1.47 -2.87 116.57 119.61 3ml0 h LYS 165 Ca 0.00 -0.42 -0.32 0.00 -1.27 0.00 0.00 60.65 58.64 3ml0 h LYS 165 Cb 0.60 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.52 3ml0 h LYS 165 CO 0.00 1.12 -1.96 1.04 -2.27 0.00 0.00 179.45 177.37 3ml0 n GLN 166 N -3.45 0.66 0.00 1.90 6.02 -1.18 -4.57 117.38 116.76 3ml0 n GLN 166 Ca -0.15 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3ml0 n GLN 166 Cb 1.04 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.61 3ml0 n GLN 166 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3ml0 n HIS 167 N -2.97 0.00 -0.21 1.08 8.25 -0.63 -5.07 115.22 115.66 3ml0 n HIS 167 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3ml0 n HIS 167 Cb 1.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.20 3ml0 n HIS 167 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ml0 n GLY 168 N 0.51 -2.64 0.20 -1.41 0.00 -1.08 -3.57 105.19 97.19 3ml0 n GLY 168 Ca 0.00 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.51 3ml0 n GLY 168 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ml0 h PRO 169 N 0.00 0.00 0.00 1.61 0.13 -1.91 -1.69 132.00 130.14 3ml0 h PRO 169 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3ml0 h PRO 169 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3ml0 h PRO 169 CO 0.00 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 178.60 3ml0 h GLU 170 N 0.00 0.00 0.01 0.86 4.39 -1.96 -3.32 114.58 114.56 3ml0 h GLU 170 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 3ml0 h GLU 170 Cb 0.65 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 3ml0 h GLU 170 CO 0.00 0.45 -1.60 0.00 -1.16 0.00 0.00 179.01 176.70 3ml0 h ARG 171 N -1.00 0.02 -0.45 2.33 -0.00 -1.68 -3.23 114.38 110.37 3ml0 h ARG 171 Ca -0.02 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.98 59.38 3ml0 h ARG 171 Cb 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.47 3ml0 h ARG 171 CO -0.01 0.63 0.11 0.78 0.00 0.00 0.00 179.97 181.48 3ml0 h GLY 172 N 3.23 0.77 2.00 0.04 0.00 -1.41 -0.67 103.07 107.03 3ml0 h GLY 172 Ca -0.25 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.56 3ml0 h GLY 172 CO 0.09 0.45 -0.21 3.21 0.00 0.00 0.00 176.54 180.09 3ml0 h ARG 173 N 0.59 0.00 -0.10 4.80 3.08 -1.72 -2.20 114.38 118.84 3ml0 h ARG 173 Ca 0.14 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.96 3ml0 h ARG 173 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.38 3ml0 h ARG 173 CO 0.00 0.21 -0.86 0.00 -1.07 0.00 0.00 179.97 178.25 3ml0 h ALA 174 N 1.79 0.28 0.00 0.04 0.00 -1.51 -2.95 119.26 116.91 3ml0 h ALA 174 Ca -0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 3ml0 h ALA 174 Cb 0.97 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3ml0 h ALA 174 CO 0.03 0.70 -0.47 -0.07 0.00 0.00 0.00 179.25 179.43 3ml0 h LEU 175 N 0.47 0.00 -0.98 0.00 3.38 -1.11 -3.13 115.31 113.94 3ml0 h LEU 175 Ca -0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3ml0 h LEU 175 Cb 1.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 3ml0 h LEU 175 CO 0.17 0.47 -0.50 0.15 0.09 0.00 0.00 178.44 178.82 3ml0 h PHE 176 N 0.00 0.03 0.00 1.13 3.57 -1.41 -2.63 116.94 117.64 3ml0 h PHE 176 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3ml0 h PHE 176 Cb 1.14 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.87 3ml0 h PHE 176 CO 0.00 0.52 0.00 -0.25 -2.23 0.00 0.00 178.31 176.35 3ml0 n ASP 177 N -3.95 0.44 -0.06 0.41 9.92 -1.12 -1.57 116.55 120.63 3ml0 n ASP 177 Ca -0.02 0.57 -0.13 0.00 -0.53 0.00 0.00 54.79 54.68 3ml0 n ASP 177 Cb 0.52 -0.67 -0.14 0.00 -0.64 0.00 0.00 41.12 40.18 3ml0 n ASP 177 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3ml0 n GLU 178 N -1.94 0.68 -0.00 -1.24 -0.58 -1.04 -3.70 120.64 112.82 3ml0 n GLU 178 Ca 0.05 0.17 -0.20 0.00 -0.42 0.00 0.00 57.16 56.75 3ml0 n GLU 178 Cb 0.31 -1.65 -0.14 0.00 -0.57 0.00 0.00 31.44 29.40 3ml0 n GLU 178 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3ml0 h LEU 179 N 0.01 0.32 -7.05 -4.62 3.38 -1.48 -3.41 115.31 102.46 3ml0 h LEU 179 Ca -0.44 -0.85 -0.62 0.00 0.09 0.00 0.00 57.88 56.06 3ml0 h LEU 179 Cb 2.07 -0.10 -0.41 0.00 0.09 0.00 0.00 40.66 42.31 3ml0 h LEU 179 CO 0.04 1.50 -0.69 -0.76 0.09 0.00 0.00 178.44 178.62 3ml0 s LEU 180 N -7.71 3.49 0.09 1.67 1.02 -0.61 -5.11 118.68 111.53 3ml0 s LEU 180 Ca -0.20 -3.06 -0.30 0.00 0.02 0.00 0.00 54.13 50.59 3ml0 s LEU 180 Cb 0.03 -1.28 -0.06 0.00 0.02 0.00 0.00 46.19 44.91 3ml0 s LEU 180 CO 0.75 -0.20 1.14 -1.66 0.02 0.00 0.00 176.35 176.39 3ml0 s TRP 181 N -0.27 3.52 0.11 0.29 -2.14 -1.24 -4.44 118.94 114.77 3ml0 s TRP 181 Ca 0.21 1.45 -0.21 0.00 2.66 0.00 0.00 56.10 60.21 3ml0 s TRP 181 Cb -0.17 -3.33 -0.07 0.00 -3.10 0.00 0.00 33.47 26.79 3ml0 s TRP 181 CO -0.06 -0.88 1.74 0.97 -2.66 0.00 0.00 176.95 176.06 3ml0 h ILE 182 N 4.31 0.94 -4.24 0.66 2.10 -1.91 -3.41 117.51 115.95 3ml0 h ILE 182 Ca -0.42 -0.03 -0.69 0.00 1.08 0.00 0.00 64.86 64.79 3ml0 h ILE 182 Cb 1.21 0.85 -0.28 0.00 -1.09 0.00 0.00 36.82 37.51 3ml0 h ILE 182 CO 0.78 0.02 -0.85 0.21 -1.08 0.00 0.00 178.15 177.22 3ml0 s ASN 183 N -5.25 3.35 0.94 2.19 3.04 -1.26 -5.13 114.94 112.82 3ml0 s ASN 183 Ca -0.13 -0.40 -0.11 0.00 0.04 0.00 0.00 52.86 52.26 3ml0 s ASN 183 Cb 0.08 -0.66 0.16 0.00 -1.54 0.00 0.00 41.25 39.29 3ml0 s ASN 183 CO 0.68 0.30 1.11 1.51 -3.04 0.00 0.00 177.10 177.66 3ml0 s ASP 184 N -0.48 2.81 0.21 -4.21 1.47 -1.26 -4.93 116.67 110.29 3ml0 s ASP 184 Ca 0.06 1.95 -0.32 0.00 1.18 0.00 0.00 52.55 55.42 3ml0 s ASP 184 Cb -0.11 -2.48 -0.14 0.00 -0.34 0.00 0.00 42.92 39.85 3ml0 s ASP 184 CO 0.01 -3.13 1.39 0.41 0.68 0.00 0.00 175.17 174.53 3ml0 n THR 185 N -4.24 0.80 0.00 2.11 -1.04 -1.26 -4.83 114.28 105.83 3ml0 n THR 185 Ca 0.09 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3ml0 n THR 185 Cb 0.53 -1.36 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 3ml0 n THR 185 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3ml0 n THR 186 N 2.03 1.94 -3.53 12.58 -2.24 -1.26 -3.21 114.28 120.59 3ml0 n THR 186 Ca 0.13 0.49 -0.27 0.00 -2.27 0.00 0.00 64.05 62.13 3ml0 n THR 186 Cb 0.30 -1.48 -0.09 0.00 -2.10 0.00 0.00 70.33 66.95 3ml0 n THR 186 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ml0 n ALA 187 N -1.49 3.56 -2.09 6.98 0.00 -1.26 -5.09 120.51 121.13 3ml0 n ALA 187 Ca 0.00 -4.38 0.00 0.00 0.00 0.00 0.00 53.44 49.06 3ml0 n ALA 187 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3ml0 n ALA 187 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ml0 n PRO 188 N 1.41 2.68 -3.86 0.00 -0.04 -1.20 -5.10 135.00 128.89 3ml0 n PRO 188 Ca 0.26 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.36 3ml0 n PRO 188 Cb 0.41 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.74 3ml0 n PRO 188 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3ml0 s THR 189 N 1.80 3.48 0.22 0.52 -4.23 -1.26 -5.10 115.64 111.06 3ml0 s THR 189 Ca 0.00 -0.73 0.10 0.00 -1.18 0.00 0.00 61.69 59.88 3ml0 s THR 189 Cb 0.00 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 3ml0 s THR 189 CO 0.00 0.21 -0.14 0.42 -0.54 0.00 0.00 174.62 174.57 3ml0 s THR 190 N 1.44 2.84 -0.04 3.99 -4.23 -1.26 -5.08 115.64 113.30 3ml0 s THR 190 Ca 0.03 -1.99 -0.24 0.00 -1.18 0.00 0.00 61.69 58.32 3ml0 s THR 190 Cb -0.16 -2.44 -0.18 0.00 1.34 0.00 0.00 72.50 71.06 3ml0 s THR 190 CO -0.01 -0.23 1.03 0.58 -0.54 0.00 0.00 174.62 175.45 3ml0 h VAL 191 N 2.61 1.06 -4.04 2.29 2.07 -2.07 -3.44 116.25 114.72 3ml0 h VAL 191 Ca -0.45 -1.14 -0.47 0.00 0.82 0.00 0.00 66.70 65.46 3ml0 h VAL 191 Cb 1.23 1.72 0.02 0.00 -1.52 0.00 0.00 31.29 32.74 3ml0 h VAL 191 CO 0.55 0.25 0.38 -2.84 0.02 0.00 0.00 177.57 175.94 3ml0 s PRO 192 N -3.76 3.98 -0.08 1.57 0.02 -1.26 -5.00 135.00 130.47 3ml0 s PRO 192 Ca -0.14 1.37 -0.30 0.00 0.02 0.00 0.00 61.00 61.95 3ml0 s PRO 192 Cb 0.01 -2.24 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 3ml0 s PRO 192 CO 0.56 -0.28 1.40 0.00 -0.33 0.00 0.00 177.00 178.34 3ml0 s ALA 193 N -1.92 3.62 0.23 -1.55 0.00 -1.26 -4.99 121.76 115.88 3ml0 s ALA 193 Ca 0.64 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 3ml0 s ALA 193 Cb -0.17 -3.64 -0.09 0.00 0.00 0.00 0.00 23.12 19.22 3ml0 s ALA 193 CO 0.21 -1.13 1.26 -2.14 0.00 0.00 0.00 175.76 173.95 3ml0 s PRO 194 N 3.25 4.44 0.00 0.00 0.02 -1.26 -5.20 135.00 136.25 3ml0 s PRO 194 Ca 0.62 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.65 3ml0 s PRO 194 Cb -0.27 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.06 3ml0 s PRO 194 CO 0.22 -0.15 0.00 0.00 -0.33 0.00 0.00 177.00 176.75