#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1onk s GLU 2 N 0.00 4.18 -0.20 -0.72 2.56 -1.25 -4.84 118.70 118.42 1onk s GLU 2 Ca 0.00 2.47 0.01 0.00 0.00 0.00 0.00 54.97 57.45 1onk s GLU 2 Cb 0.00 -3.04 0.04 0.00 2.00 0.00 0.00 34.13 33.13 1onk s GLU 2 CO 0.00 -0.52 -0.10 0.50 -0.56 0.00 0.00 175.26 174.57 1onk s ARG 3 N -0.86 2.05 -0.13 4.30 3.52 -1.26 -0.34 118.95 126.24 1onk s ARG 3 Ca 0.59 -0.85 -0.06 0.00 -0.13 0.00 0.00 55.73 55.28 1onk s ARG 3 Cb -0.45 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 1onk s ARG 3 CO 0.50 -0.43 0.08 -0.51 -0.81 0.00 0.00 175.30 174.13 1onk s LEU 4 N 1.39 4.01 -0.05 -0.88 1.43 0.15 -4.98 118.68 119.74 1onk s LEU 4 Ca -0.01 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1onk s LEU 4 Cb -0.16 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 1onk s LEU 4 CO -0.08 0.34 -0.16 -0.13 0.23 0.00 0.00 176.35 176.55 1onk s ARG 5 N -0.61 2.46 -0.07 1.70 0.52 -1.26 -0.88 118.95 120.81 1onk s ARG 5 Ca 0.12 -0.73 -0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1onk s ARG 5 Cb -0.12 -2.33 0.03 0.00 0.52 0.00 0.00 34.95 33.05 1onk s ARG 5 CO 0.02 0.60 -0.03 -1.17 0.02 0.00 0.00 175.30 174.75 1onk s LEU 6 N -0.69 0.90 -0.10 2.53 2.96 0.16 -4.97 118.68 119.48 1onk s LEU 6 Ca 0.11 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.60 1onk s LEU 6 Cb -0.11 -0.51 -0.02 0.00 0.50 0.00 0.00 46.19 46.06 1onk s LEU 6 CO 0.00 -0.14 0.97 -0.60 -1.32 0.00 0.00 176.35 175.26 1onk s ARG 7 N 1.62 4.42 -0.34 1.98 3.52 -1.26 -2.54 118.95 126.36 1onk s ARG 7 Ca 0.00 1.32 -0.04 0.00 -0.13 0.00 0.00 55.73 56.88 1onk s ARG 7 Cb -0.13 -3.53 0.06 0.00 -1.56 0.00 0.00 34.95 29.79 1onk s ARG 7 CO -0.04 -0.26 0.09 0.14 -0.81 0.00 0.00 175.30 174.41 1onk s VAL 8 N 1.84 3.41 0.04 7.11 -7.23 0.16 -4.79 120.40 120.95 1onk s VAL 8 Ca 0.47 -1.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.26 1onk s VAL 8 Cb -0.18 -3.02 -0.00 0.00 0.56 0.00 0.00 36.38 33.74 1onk s VAL 8 CO 0.18 -0.25 0.03 0.35 -0.31 0.00 0.00 175.10 175.10 1onk n THR 9 N 4.71 0.00 1.82 5.32 -2.24 -1.26 -3.57 114.28 119.06 1onk n THR 9 Ca -0.11 -0.28 0.09 0.00 -2.27 0.00 0.00 64.05 61.48 1onk n THR 9 Cb 0.43 0.13 0.50 0.00 -2.10 0.00 0.00 70.33 69.29 1onk n THR 9 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1onk n HIS 10 N -0.09 0.05 0.31 4.78 8.25 -1.26 -2.97 115.22 124.29 1onk n HIS 10 Ca 0.00 -0.02 0.04 0.00 -0.26 0.00 0.00 57.72 57.48 1onk n HIS 10 Cb 0.07 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.22 1onk n HIS 10 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1onk n GLN 11 N -0.53 0.44 -1.84 -0.41 3.00 -1.26 -4.98 117.38 111.80 1onk n GLN 11 Ca 0.14 -1.09 -0.42 0.00 -0.01 0.00 0.00 57.00 55.62 1onk n GLN 11 Cb 0.12 -1.17 -0.03 0.00 0.00 0.00 0.00 30.24 29.17 1onk n GLN 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1onk s THR 12 N -0.74 2.58 0.39 5.09 2.01 -1.16 -5.00 115.64 118.82 1onk s THR 12 Ca 0.11 0.28 -0.04 0.00 0.31 0.00 0.00 61.69 62.35 1onk s THR 12 Cb 0.07 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1onk s THR 12 CO 0.11 0.01 0.67 0.42 -0.69 0.00 0.00 174.62 175.14 1onk s THR 13 N 1.87 4.98 0.21 -0.82 -4.23 -1.26 -4.79 115.64 111.60 1onk s THR 13 Ca 0.74 0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 61.20 1onk s THR 13 Cb -0.44 -3.82 0.15 0.00 1.34 0.00 0.00 72.50 69.73 1onk s THR 13 CO 0.33 -0.61 1.79 1.23 -0.54 0.00 0.00 174.62 176.81 1onk h GLY 14 N 0.82 0.98 0.81 3.99 0.00 -1.84 -0.75 103.07 107.08 1onk h GLY 14 Ca -0.48 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 46.66 1onk h GLY 14 CO 0.63 0.09 0.10 -2.09 0.00 0.00 0.00 176.54 175.27 1onk h GLU 15 N 0.60 0.22 -0.38 4.80 4.22 -1.94 0.63 114.58 122.72 1onk h GLU 15 Ca 0.32 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.79 1onk h GLU 15 Cb 0.28 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1onk h GLU 15 CO -0.23 0.14 0.13 0.93 -2.18 0.00 0.00 179.01 177.80 1onk h GLU 16 N 0.22 0.28 -0.45 1.92 5.08 -1.80 0.55 114.58 120.37 1onk h GLU 16 Ca 0.11 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1onk h GLU 16 Cb 0.07 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1onk h GLU 16 CO -0.11 0.18 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.09 1onk h TYR 17 N 0.29 0.85 -0.15 4.33 3.20 -0.56 -2.21 116.97 122.71 1onk h TYR 17 Ca 0.18 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1onk h TYR 17 Cb 0.16 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1onk h TYR 17 CO -0.15 0.82 0.10 0.35 -1.64 0.00 0.00 178.16 177.64 1onk h PHE 18 N 0.72 0.19 -0.38 -3.82 3.57 0.16 -0.80 116.94 116.57 1onk h PHE 18 Ca 0.13 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1onk h PHE 18 Cb 0.54 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 1onk h PHE 18 CO 0.03 0.12 0.01 -0.09 -2.23 0.00 0.00 178.31 176.15 1onk h ARG 19 N 0.20 0.11 -0.15 1.11 2.43 0.32 -0.27 114.38 118.14 1onk h ARG 19 Ca 0.05 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1onk h ARG 19 Cb -0.02 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1onk h ARG 19 CO -0.01 0.07 -0.02 0.35 -1.51 0.00 0.00 179.97 178.86 1onk h PHE 20 N 0.12 -0.04 -0.56 2.20 3.57 -1.21 0.11 116.94 121.13 1onk h PHE 20 Ca 0.19 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1onk h PHE 20 Cb 0.26 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1onk h PHE 20 CO -0.25 -0.04 0.10 0.82 -2.23 0.00 0.00 178.31 176.71 1onk h ILE 21 N 0.03 1.24 0.00 1.41 1.08 -0.33 -1.50 117.51 119.43 1onk h ILE 21 Ca 0.07 -0.90 -0.14 0.00 -0.39 0.00 0.00 64.86 63.49 1onk h ILE 21 Cb 0.09 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 1onk h ILE 21 CO -0.13 0.33 -0.68 0.71 -0.69 0.00 0.00 178.15 177.69 1onk h THR 22 N 0.84 1.40 -0.57 -0.27 1.35 -0.53 -1.20 112.91 113.93 1onk h THR 22 Ca 0.18 -2.40 -0.03 0.00 -0.55 0.00 0.00 66.41 63.61 1onk h THR 22 Cb 0.36 2.33 -0.03 0.00 -1.73 0.00 0.00 68.15 69.07 1onk h THR 22 CO 0.01 0.67 0.24 -0.07 -0.25 0.00 0.00 175.52 176.11 1onk h LEU 23 N 0.00 0.74 -0.21 3.87 4.07 -0.44 0.23 115.31 123.57 1onk h LEU 23 Ca -0.01 -0.09 -0.06 0.00 0.08 0.00 0.00 57.88 57.81 1onk h LEU 23 Cb 1.27 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 1onk h LEU 23 CO 0.09 0.66 -0.10 0.25 -1.08 0.00 0.00 178.44 178.25 1onk h LEU 24 N 0.81 0.46 -0.97 1.67 5.85 -0.68 -0.34 115.31 122.10 1onk h LEU 24 Ca 0.20 -0.41 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 1onk h LEU 24 Cb 0.14 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1onk h LEU 24 CO -0.02 0.77 -0.19 0.03 -0.34 0.00 0.00 178.44 178.69 1onk h ARG 25 N 0.15 0.53 -0.35 1.25 3.08 -0.93 -0.96 114.38 117.14 1onk h ARG 25 Ca 0.05 -0.18 0.07 0.00 0.07 0.00 0.00 59.98 59.99 1onk h ARG 25 Cb 0.60 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.53 1onk h ARG 25 CO 0.03 0.70 -0.11 -0.44 -1.07 0.00 0.00 179.97 179.07 1onk h ASP 26 N 0.48 -0.41 -0.61 7.04 3.32 -0.40 0.48 116.42 126.33 1onk h ASP 26 Ca 0.08 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 1onk h ASP 26 Cb 0.60 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1onk h ASP 26 CO 0.04 -0.15 0.03 0.22 -1.72 0.00 0.00 179.24 177.66 1onk h TYR 27 N -0.04 1.15 -0.00 4.55 3.20 -0.32 -2.92 116.97 122.60 1onk h TYR 27 Ca 0.17 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1onk h TYR 27 Cb 0.30 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1onk h TYR 27 CO -0.35 1.00 -0.25 1.33 -1.64 0.00 0.00 178.16 178.25 1onk n VAL 28 N -4.19 0.00 -1.69 1.81 0.24 -0.44 -4.82 118.33 109.25 1onk n VAL 28 Ca 0.03 -0.03 -0.44 0.00 -2.04 0.00 0.00 64.34 61.86 1onk n VAL 28 Cb 0.33 0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.68 1onk n VAL 28 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1onk n SER 29 N -1.24 3.47 0.17 -1.34 7.64 0.12 -3.85 113.62 118.59 1onk n SER 29 Ca 0.09 1.08 0.12 0.00 1.01 0.00 0.00 58.87 61.17 1onk n SER 29 Cb 0.32 -1.49 0.13 0.00 -1.01 0.00 0.00 64.21 62.16 1onk n SER 29 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1onk h SER 30 N 6.10 0.00 0.00 6.43 4.64 -1.66 -3.46 113.55 125.60 1onk h SER 30 Ca -0.44 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1onk h SER 30 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1onk h SER 30 CO 0.90 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.48 1onk n GLY 31 N 1.14 1.87 3.97 -0.77 0.00 -1.26 -4.97 105.19 105.17 1onk n GLY 31 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1onk n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1onk s SER 32 N -1.52 5.86 0.04 1.61 0.01 -1.26 -5.01 113.70 113.43 1onk s SER 32 Ca 0.00 0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.30 1onk s SER 32 Cb 0.00 -1.32 -0.02 0.00 0.21 0.00 0.00 66.02 64.88 1onk s SER 32 CO 0.00 -0.60 -0.06 -0.36 0.41 0.00 0.00 173.24 172.62 1onk s PHE 33 N -2.38 0.57 -0.09 2.43 0.40 -1.26 -1.72 117.98 115.93 1onk s PHE 33 Ca 0.47 -0.54 0.04 0.00 -0.60 0.00 0.00 56.93 56.31 1onk s PHE 33 Cb -0.10 -0.35 -0.00 0.00 0.51 0.00 0.00 43.02 43.08 1onk s PHE 33 CO 0.35 -0.12 -0.23 0.45 0.70 0.00 0.00 175.22 176.37 1onk s SER 34 N -1.64 2.95 -1.70 1.36 0.15 -0.43 -4.79 113.70 109.60 1onk s SER 34 Ca -0.10 -0.53 -0.12 0.00 0.70 0.00 0.00 55.95 55.90 1onk s SER 34 Cb -0.09 -1.28 0.12 0.00 -1.71 0.00 0.00 66.02 63.06 1onk s SER 34 CO -0.00 0.16 0.34 0.59 1.20 0.00 0.00 173.24 175.53 1onk n ASN 35 N 3.47 -0.63 0.00 5.45 3.02 -1.26 -0.17 115.26 125.14 1onk n ASN 35 Ca -0.19 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 1onk n ASN 35 Cb 0.53 -1.76 0.00 0.00 -0.61 0.00 0.00 39.78 37.94 1onk n ASN 35 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1onk n GLU 36 N -4.33 0.00 -4.61 3.52 -0.58 -1.26 -5.02 120.64 108.35 1onk n GLU 36 Ca -0.10 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.30 1onk n GLU 36 Cb 0.58 -2.50 -0.14 0.00 -0.57 0.00 0.00 31.44 28.81 1onk n GLU 36 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1onk s ILE 37 N -3.20 3.35 0.68 -3.67 1.01 0.76 -5.05 121.20 115.09 1onk s ILE 37 Ca 0.00 -0.55 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 1onk s ILE 37 Cb 0.00 -2.44 -0.00 0.00 0.01 0.00 0.00 42.46 40.03 1onk s ILE 37 CO 0.00 0.51 1.12 -2.65 0.00 0.00 0.00 174.94 173.92 1onk n PRO 38 N 3.57 0.76 -4.39 2.79 -0.02 -1.26 -1.31 135.00 135.14 1onk n PRO 38 Ca -0.18 0.32 -0.31 0.00 -2.02 0.00 0.00 63.50 61.31 1onk n PRO 38 Cb 0.53 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.54 1onk n PRO 38 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1onk s LEU 39 N -3.70 3.00 0.95 2.45 1.43 -0.70 -1.99 118.68 120.11 1onk s LEU 39 Ca 0.78 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 1onk s LEU 39 Cb -0.36 -1.77 0.16 0.00 0.03 0.00 0.00 46.19 44.24 1onk s LEU 39 CO 0.46 0.23 1.10 -0.76 0.23 0.00 0.00 176.35 177.60 1onk s LEU 40 N -1.81 1.90 0.79 1.79 1.43 0.26 -1.97 118.68 121.07 1onk s LEU 40 Ca 0.19 1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 54.41 1onk s LEU 40 Cb -0.11 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.65 1onk s LEU 40 CO 0.10 -2.84 1.14 -0.13 0.23 0.00 0.00 176.35 174.85 1onk s ARG 41 N -5.02 1.91 0.35 1.70 0.52 -1.25 -4.48 118.95 112.68 1onk s ARG 41 Ca 0.64 1.45 -0.28 0.00 -0.52 0.00 0.00 55.73 57.03 1onk s ARG 41 Cb -0.18 -1.84 -0.10 0.00 0.52 0.00 0.00 34.95 33.36 1onk s ARG 41 CO 0.57 -1.95 1.30 -0.65 0.02 0.00 0.00 175.30 174.59 1onk s GLN 42 N -4.49 4.26 0.50 3.54 -0.21 -1.26 -4.57 119.66 117.44 1onk s GLN 42 Ca 0.67 2.19 0.34 0.00 0.02 0.00 0.00 55.36 58.57 1onk s GLN 42 Cb -0.22 -2.99 1.78 0.00 1.00 0.00 0.00 33.01 32.58 1onk s GLN 42 CO 0.52 -0.25 2.03 0.66 -2.12 0.00 0.00 175.29 176.12 1onk h SER 43 N 3.20 0.00 0.00 5.90 4.64 -1.89 -2.71 113.55 122.69 1onk h SER 43 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1onk h SER 43 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1onk h SER 43 CO 0.65 0.00 0.09 0.35 -0.87 0.00 0.00 176.83 177.05 1onk n THR 44 N -2.70 1.39 -1.82 2.95 -2.24 -1.26 -4.78 114.28 105.83 1onk n THR 44 Ca -0.02 0.59 -0.41 0.00 -2.27 0.00 0.00 64.05 61.93 1onk n THR 44 Cb 0.08 -1.59 -0.02 0.00 -2.10 0.00 0.00 70.33 66.71 1onk n THR 44 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1onk s ILE 45 N -3.07 2.17 0.50 2.28 1.01 -1.02 -4.93 121.20 118.13 1onk s ILE 45 Ca -0.01 0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.55 1onk s ILE 45 Cb 0.02 -3.09 -0.06 0.00 0.01 0.00 0.00 42.46 39.34 1onk s ILE 45 CO 0.06 0.02 1.37 -2.84 0.00 0.00 0.00 174.94 173.56 1onk s PRO 46 N -0.38 3.41 0.56 2.79 0.02 -1.26 -4.87 135.00 135.27 1onk s PRO 46 Ca 0.63 2.28 0.27 0.00 0.02 0.00 0.00 61.00 64.20 1onk s PRO 46 Cb -0.47 -2.44 1.65 0.00 0.02 0.00 0.00 34.50 33.26 1onk s PRO 46 CO 0.46 -0.99 2.20 0.28 -0.33 0.00 0.00 177.00 178.62 1onk h VAL 47 N 1.84 0.62 0.00 3.83 2.07 -1.92 -3.13 116.25 119.57 1onk h VAL 47 Ca -0.51 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1onk h VAL 47 Cb 1.28 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1onk h VAL 47 CO 0.59 0.03 0.00 -1.54 0.02 0.00 0.00 177.57 176.67 1onk n SER 48 N -3.91 0.00 0.00 0.57 3.41 -1.26 -4.89 113.62 107.54 1onk n SER 48 Ca -0.03 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1onk n SER 48 Cb 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1onk n SER 48 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1onk n ASP 49 N -0.05 0.00 0.00 4.04 -0.08 -1.18 -4.46 116.55 114.81 1onk n ASP 49 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1onk n ASP 49 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1onk n ASP 49 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1onk n ALA 50 N 0.10 1.62 -1.02 -1.67 0.00 -1.26 -4.62 120.51 113.66 1onk n ALA 50 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1onk n ALA 50 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1onk n ALA 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1onk n GLN 51 N -1.21 1.35 0.25 0.00 6.02 -1.26 -3.40 117.38 119.13 1onk n GLN 51 Ca 0.00 -2.20 0.11 0.00 -0.01 0.00 0.00 57.00 54.90 1onk n GLN 51 Cb 0.00 -1.29 0.65 0.00 1.02 0.00 0.00 30.24 30.61 1onk n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1onk h ARG 52 N 0.00 0.00 -5.50 -1.09 9.65 -1.82 -3.44 114.38 112.19 1onk h ARG 52 Ca 0.00 0.00 -0.44 0.00 -1.10 0.00 0.00 59.98 58.44 1onk h ARG 52 Cb 0.97 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 29.35 1onk h ARG 52 CO 0.00 0.16 -0.78 -0.06 2.80 0.00 0.00 179.97 182.09 1onk s PHE 53 N -4.19 1.35 -0.07 2.20 0.08 -1.26 -2.86 117.98 113.24 1onk s PHE 53 Ca -0.03 -0.48 0.05 0.00 0.12 0.00 0.00 56.93 56.60 1onk s PHE 53 Cb 0.13 -0.74 -0.00 0.00 -0.57 0.00 0.00 43.02 41.83 1onk s PHE 53 CO 0.61 0.10 -0.22 0.54 -0.10 0.00 0.00 175.22 176.15 1onk s VAL 54 N -1.46 1.86 -0.29 -0.44 0.11 0.64 -3.91 120.40 116.91 1onk s VAL 54 Ca 0.02 -0.94 -0.13 0.00 -2.93 0.00 0.00 61.98 58.00 1onk s VAL 54 Cb -0.09 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.13 1onk s VAL 54 CO 0.03 0.52 0.27 -0.76 -3.33 0.00 0.00 175.10 171.82 1onk s LEU 55 N 0.09 4.15 -0.21 2.54 1.43 0.54 -0.54 118.68 126.69 1onk s LEU 55 Ca -0.09 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1onk s LEU 55 Cb -0.15 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 1onk s LEU 55 CO 0.05 -0.15 0.00 0.68 0.23 0.00 0.00 176.35 177.16 1onk s VAL 56 N 1.87 3.91 -0.36 -1.59 -7.23 -0.51 0.29 120.40 116.79 1onk s VAL 56 Ca 0.10 -0.32 -0.11 0.00 -1.81 0.00 0.00 61.98 59.83 1onk s VAL 56 Cb -0.16 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 34.01 1onk s VAL 56 CO 0.11 0.42 0.20 -0.70 -0.31 0.00 0.00 175.10 174.82 1onk s GLU 57 N 1.14 3.04 -0.18 4.82 2.12 -0.06 0.00 118.70 129.58 1onk s GLU 57 Ca 0.03 -0.93 -0.07 0.00 0.36 0.00 0.00 54.97 54.35 1onk s GLU 57 Cb -0.14 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 1onk s GLU 57 CO 0.01 -0.60 0.07 -0.51 -0.54 0.00 0.00 175.26 173.69 1onk s LEU 58 N 1.60 3.88 -0.09 2.70 1.43 -0.40 -0.66 118.68 127.14 1onk s LEU 58 Ca 0.03 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1onk s LEU 58 Cb -0.18 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1onk s LEU 58 CO 0.07 0.20 -0.13 -0.89 0.23 0.00 0.00 176.35 175.83 1onk s THR 59 N 0.21 1.29 0.62 5.49 2.01 -1.05 -1.29 115.64 122.91 1onk s THR 59 Ca 0.05 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1onk s THR 59 Cb -0.12 -1.19 0.12 0.00 0.01 0.00 0.00 72.50 71.32 1onk s THR 59 CO 0.00 0.40 0.85 -0.46 -0.69 0.00 0.00 174.62 174.71 1onk n ASN 60 N 4.08 1.53 -0.30 3.53 0.23 0.47 -0.67 115.26 124.13 1onk n ASN 60 Ca -0.20 -2.20 0.12 0.00 -0.53 0.00 0.00 54.58 51.77 1onk n ASN 60 Cb 0.51 -0.51 0.36 0.00 -2.08 0.00 0.00 39.78 38.06 1onk n ASN 60 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1onk h GLN 61 N 0.00 0.70 0.00 -3.83 4.20 -1.89 0.14 115.11 114.42 1onk h GLN 61 Ca -0.28 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1onk h GLN 61 Cb 1.13 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1onk h GLN 61 CO 0.34 0.46 0.00 0.41 -0.67 0.00 0.00 178.83 179.37 1onk n GLY 62 N -1.41 -0.89 2.28 3.46 0.00 -1.26 -4.83 105.19 102.55 1onk n GLY 62 Ca 0.19 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1onk n GLY 62 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1onk n GLN 63 N -1.17 -0.87 -2.11 1.61 -0.06 0.48 -5.02 117.38 110.24 1onk n GLN 63 Ca 0.13 0.74 -0.41 0.00 -2.00 0.00 0.00 57.00 55.46 1onk n GLN 63 Cb 0.14 -4.81 -0.02 0.00 -4.06 0.00 0.00 30.24 21.49 1onk n GLN 63 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1onk s ASP 64 N -2.68 6.77 -0.02 1.69 1.01 -1.25 -4.75 116.67 117.43 1onk s ASP 64 Ca 0.00 2.69 0.02 0.00 0.71 0.00 0.00 52.55 55.97 1onk s ASP 64 Cb 0.00 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1onk s ASP 64 CO 0.00 -0.54 -0.06 -0.44 0.21 0.00 0.00 175.17 174.34 1onk s SER 65 N -0.44 0.84 0.00 0.27 0.01 -1.26 -0.40 113.70 112.72 1onk s SER 65 Ca 0.49 -0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.65 1onk s SER 65 Cb -0.40 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.61 1onk s SER 65 CO 0.53 0.04 -0.08 0.54 0.41 0.00 0.00 173.24 174.67 1onk s VAL 66 N 0.20 0.62 -0.16 3.43 0.11 -0.41 -4.44 120.40 119.75 1onk s VAL 66 Ca -0.02 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1onk s VAL 66 Cb -0.07 -0.54 0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1onk s VAL 66 CO -0.00 0.11 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.85 1onk s THR 67 N -0.32 1.63 0.02 5.04 2.01 -0.20 -1.28 115.64 122.54 1onk s THR 67 Ca 0.02 -0.73 -0.14 0.00 0.31 0.00 0.00 61.69 61.15 1onk s THR 67 Cb -0.04 -1.55 -0.06 0.00 0.01 0.00 0.00 72.50 70.86 1onk s THR 67 CO -0.00 0.41 0.43 0.00 -0.69 0.00 0.00 174.62 174.77 1onk s ALA 68 N 1.45 3.69 -0.21 7.40 0.00 0.10 -0.22 121.76 133.97 1onk s ALA 68 Ca 0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 51.70 1onk s ALA 68 Cb -0.13 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1onk s ALA 68 CO -0.10 0.49 0.09 0.00 0.00 0.00 0.00 175.76 176.24 1onk s ALA 69 N -1.14 3.45 -0.21 0.00 0.00 0.19 -1.42 121.76 122.62 1onk s ALA 69 Ca 0.26 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1onk s ALA 69 Cb -0.16 -2.07 0.01 0.00 0.00 0.00 0.00 23.12 20.89 1onk s ALA 69 CO 0.15 -0.02 -0.11 0.42 0.00 0.00 0.00 175.76 176.19 1onk s ILE 70 N 0.73 2.73 -0.08 0.00 1.01 0.30 -0.25 121.20 125.65 1onk s ILE 70 Ca 0.05 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 1onk s ILE 70 Cb -0.13 -2.24 -0.06 0.00 0.01 0.00 0.00 42.46 40.04 1onk s ILE 70 CO 0.02 0.43 1.85 -0.62 0.00 0.00 0.00 174.94 176.62 1onk s ASP 71 N 1.37 6.34 0.40 3.58 -1.08 -0.42 -0.26 116.67 126.60 1onk s ASP 71 Ca 0.04 2.21 0.28 0.00 -0.52 0.00 0.00 52.55 54.56 1onk s ASP 71 Cb -0.14 -2.53 1.08 0.00 -1.46 0.00 0.00 42.92 39.87 1onk s ASP 71 CO -0.08 -1.20 1.83 -0.37 0.52 0.00 0.00 175.17 175.87 1onk h VAL 72 N 5.96 0.00 0.00 1.11 -1.51 -1.83 1.01 116.25 120.99 1onk h VAL 72 Ca -0.42 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1onk h VAL 72 Cb 1.20 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 1onk h VAL 72 CO 0.96 0.00 0.00 0.71 -1.23 0.00 0.00 177.57 178.01 1onk h THR 73 N 0.00 0.00 0.00 7.19 1.35 -1.82 -3.35 112.91 116.28 1onk h THR 73 Ca 0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1onk h THR 73 Cb 0.52 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1onk h THR 73 CO 0.00 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 174.81 1onk n ASN 74 N -2.74 0.00 -1.13 5.36 0.23 -1.01 -4.64 115.26 111.33 1onk n ASN 74 Ca 0.04 -1.00 -0.15 0.00 -0.53 0.00 0.00 54.58 52.95 1onk n ASN 74 Cb 0.48 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.11 1onk n ASN 74 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1onk n ALA 75 N 0.00 -0.22 -1.79 -2.53 0.00 0.34 -4.97 120.51 111.34 1onk n ALA 75 Ca 0.00 0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.33 1onk n ALA 75 Cb 0.33 -1.67 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 1onk n ALA 75 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1onk s TYR 76 N -2.46 2.89 -0.20 0.00 1.51 -1.22 -4.74 117.35 113.13 1onk s TYR 76 Ca 0.00 1.57 -0.26 0.00 -1.01 0.00 0.00 57.07 57.36 1onk s TYR 76 Cb 0.00 -3.14 -0.01 0.00 -0.11 0.00 0.00 41.96 38.70 1onk s TYR 76 CO 0.00 -1.08 0.90 0.08 -1.11 0.00 0.00 175.55 174.33 1onk s VAL 77 N -1.90 4.81 -0.02 0.71 1.01 -1.26 -1.30 120.40 122.45 1onk s VAL 77 Ca 0.69 1.75 0.13 0.00 0.00 0.00 0.00 61.98 64.54 1onk s VAL 77 Cb -0.19 -4.19 -0.19 0.00 0.00 0.00 0.00 36.38 31.81 1onk s VAL 77 CO 0.22 -0.05 0.27 1.33 0.00 0.00 0.00 175.10 176.87 1onk n VAL 78 N 5.01 0.01 -3.61 2.92 0.24 0.66 -4.75 118.33 118.81 1onk n VAL 78 Ca 0.07 -0.29 -0.04 0.00 -2.04 0.00 0.00 64.34 62.04 1onk n VAL 78 Cb 0.48 0.20 -0.02 0.00 -1.47 0.00 0.00 33.84 33.03 1onk n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1onk s ALA 79 N -2.86 -1.93 0.01 2.33 0.00 -1.22 -1.79 121.76 116.31 1onk s ALA 79 Ca -0.05 0.86 -0.03 0.00 0.00 0.00 0.00 51.96 52.75 1onk s ALA 79 Cb 0.08 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 1onk s ALA 79 CO 0.52 -0.83 0.04 1.52 0.00 0.00 0.00 175.76 177.01 1onk s TYR 80 N -2.85 0.18 -0.06 0.00 1.13 -0.88 0.52 117.35 115.39 1onk s TYR 80 Ca 0.10 -0.38 0.04 0.00 -1.41 0.00 0.00 57.07 55.41 1onk s TYR 80 Cb 0.00 -0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 40.70 1onk s TYR 80 CO -0.04 -0.24 -0.17 -1.14 -2.51 0.00 0.00 175.55 171.45 1onk s GLN 81 N -1.52 2.59 -0.12 -3.49 -0.44 0.69 -1.39 119.66 115.99 1onk s GLN 81 Ca -0.15 -0.76 -0.03 0.00 -2.50 0.00 0.00 55.36 51.92 1onk s GLN 81 Cb -0.08 -2.34 0.04 0.00 -1.64 0.00 0.00 33.01 28.99 1onk s GLN 81 CO -0.00 0.51 0.04 0.00 0.50 0.00 0.00 175.29 176.34 1onk s ALA 82 N -0.45 0.61 0.00 1.58 0.00 -0.69 -1.03 121.76 121.77 1onk s ALA 82 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1onk s ALA 82 Cb -0.12 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1onk s ALA 82 CO 0.02 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1onk n GLY 83 N 5.19 3.52 0.96 0.00 0.00 -1.26 -1.89 105.19 111.70 1onk n GLY 83 Ca -0.07 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1onk n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1onk n ASP 84 N 5.09 2.82 -4.59 1.61 5.75 -1.26 -4.91 116.55 121.06 1onk n ASP 84 Ca 0.00 -1.94 -0.29 0.00 -0.01 0.00 0.00 54.79 52.55 1onk n ASP 84 Cb 0.00 -0.29 -0.09 0.00 -1.03 0.00 0.00 41.12 39.71 1onk n ASP 84 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1onk s GLN 85 N -1.43 2.16 0.04 0.11 -1.52 -0.79 -0.32 119.66 117.91 1onk s GLN 85 Ca 0.36 -1.08 0.04 0.00 -1.95 0.00 0.00 55.36 52.73 1onk s GLN 85 Cb 0.20 -2.29 -0.02 0.00 -0.22 0.00 0.00 33.01 30.68 1onk s GLN 85 CO 0.27 0.49 -0.11 -1.54 -0.25 0.00 0.00 175.29 174.14 1onk s SER 86 N -2.44 1.33 -0.12 5.90 1.04 0.18 -1.71 113.70 117.87 1onk s SER 86 Ca 0.23 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1onk s SER 86 Cb -0.10 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 65.99 1onk s SER 86 CO 0.15 -0.05 -0.10 -0.31 0.98 0.00 0.00 173.24 173.90 1onk s TYR 87 N -1.02 1.69 -0.20 5.02 1.51 -0.49 0.31 117.35 124.17 1onk s TYR 87 Ca -0.02 -0.86 -0.08 0.00 -1.01 0.00 0.00 57.07 55.10 1onk s TYR 87 Cb -0.08 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1onk s TYR 87 CO 0.01 -0.54 0.08 -0.06 -1.11 0.00 0.00 175.55 173.93 1onk s PHE 88 N 1.55 3.21 0.44 2.71 0.40 0.25 -2.08 117.98 124.45 1onk s PHE 88 Ca 0.03 -0.02 -0.24 0.00 -0.60 0.00 0.00 56.93 56.10 1onk s PHE 88 Cb -0.13 -2.14 -0.08 0.00 0.51 0.00 0.00 43.02 41.18 1onk s PHE 88 CO -0.08 0.02 1.24 -0.51 0.70 0.00 0.00 175.22 176.59 1onk s LEU 89 N 0.75 4.11 0.25 -0.37 1.02 -0.74 0.86 118.68 124.55 1onk s LEU 89 Ca 0.04 2.50 -0.31 0.00 0.02 0.00 0.00 54.13 56.38 1onk s LEU 89 Cb -0.13 -4.07 -0.13 0.00 0.02 0.00 0.00 46.19 41.88 1onk s LEU 89 CO 0.02 -0.91 1.42 -1.14 0.02 0.00 0.00 176.35 175.76 1onk n ARG 90 N -0.19 2.09 -1.61 1.70 0.63 -0.18 -2.08 116.66 117.03 1onk n ARG 90 Ca 0.06 0.74 -0.06 0.00 -0.92 0.00 0.00 57.85 57.67 1onk n ARG 90 Cb 0.46 -2.41 -0.01 0.00 0.45 0.00 0.00 32.46 30.94 1onk n ARG 90 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1onk n ASP 91 N 2.13 -3.03 -4.63 6.15 8.00 -1.26 -4.08 116.55 119.82 1onk n ASP 91 Ca 0.11 0.07 -0.30 0.00 0.71 0.00 0.00 54.79 55.38 1onk n ASP 91 Cb 0.32 -1.68 0.19 0.00 -0.02 0.00 0.00 41.12 39.92 1onk n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1onk s ALA 92 N -2.24 1.01 0.26 2.24 0.00 -0.88 -4.88 121.76 117.27 1onk s ALA 92 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 1onk s ALA 92 Cb 0.00 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 19.58 1onk s ALA 92 CO 0.00 -3.01 1.16 -2.30 0.00 0.00 0.00 175.76 171.61 1onk n PRO 93 N -4.39 1.55 -1.72 0.00 -0.02 -1.26 -4.87 135.00 124.29 1onk n PRO 93 Ca 0.10 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 1onk n PRO 93 Cb 0.53 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1onk n PRO 93 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1onk n ARG 94 N 1.18 2.70 -0.61 -0.52 1.74 -1.26 -1.41 116.66 118.48 1onk n ARG 94 Ca 0.10 0.97 0.00 0.00 -0.77 0.00 0.00 57.85 58.16 1onk n ARG 94 Cb 0.31 -2.80 0.00 0.00 -1.02 0.00 0.00 32.46 28.95 1onk n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1onk n GLY 95 N 3.65 0.75 0.28 -0.13 0.00 -1.26 -4.80 105.19 103.68 1onk n GLY 95 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 1onk n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1onk h ALA 96 N 0.00 0.81 0.00 4.61 0.00 -1.58 -2.63 119.26 120.47 1onk h ALA 96 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1onk h ALA 96 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1onk h ALA 96 CO 0.00 0.44 -0.19 0.93 0.00 0.00 0.00 179.25 180.43 1onk h GLU 97 N 0.88 0.00 -0.08 0.00 5.08 -1.85 1.53 114.58 120.14 1onk h GLU 97 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1onk h GLU 97 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1onk h GLU 97 CO -0.01 0.19 0.00 2.41 -1.00 0.00 0.00 179.01 180.59 1onk n THR 98 N -3.72 0.09 0.00 1.13 -1.04 -1.02 -4.11 114.28 105.60 1onk n THR 98 Ca -0.02 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1onk n THR 98 Cb 0.30 0.40 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 1onk n THR 98 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1onk n HIS 99 N 0.18 0.00 -3.69 -1.42 8.25 0.68 -5.05 115.22 114.17 1onk n HIS 99 Ca 0.18 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.27 1onk n HIS 99 Cb 0.33 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.38 1onk n HIS 99 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1onk s LEU 100 N -4.48 4.36 -0.58 2.41 1.43 0.49 -4.70 118.68 117.60 1onk s LEU 100 Ca 0.00 0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 53.57 1onk s LEU 100 Cb 0.00 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.97 1onk s LEU 100 CO 0.00 0.29 0.65 0.49 0.23 0.00 0.00 176.35 178.01 1onk n PHE 101 N 2.47 -3.14 0.65 0.29 3.72 -1.26 -4.74 117.46 115.45 1onk n PHE 101 Ca -0.16 1.24 0.11 0.00 -0.05 0.00 0.00 57.45 58.59 1onk n PHE 101 Cb 0.53 -3.85 0.09 0.00 -0.94 0.00 0.00 39.48 35.31 1onk n PHE 101 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1onk n THR 102 N -1.04 0.18 1.22 4.37 -2.24 -1.26 -3.59 114.28 111.92 1onk n THR 102 Ca 0.03 -0.20 0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1onk n THR 102 Cb 0.51 0.17 0.47 0.00 -2.10 0.00 0.00 70.33 69.38 1onk n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1onk n GLY 103 N 1.39 -1.02 4.00 3.38 0.00 -1.26 -4.95 105.19 106.73 1onk n GLY 103 Ca 0.03 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 1onk n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1onk s THR 104 N -2.68 2.81 -0.26 2.61 -4.23 -1.24 -5.02 115.64 107.63 1onk s THR 104 Ca 0.21 -0.89 -0.26 0.00 -1.18 0.00 0.00 61.69 59.58 1onk s THR 104 Cb 0.19 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1onk s THR 104 CO 0.55 0.00 0.89 -0.89 -0.54 0.00 0.00 174.62 174.63 1onk s THR 105 N -2.52 4.76 -0.22 3.99 2.01 0.56 -4.85 115.64 119.37 1onk s THR 105 Ca 0.57 1.59 -0.18 0.00 0.31 0.00 0.00 61.69 63.98 1onk s THR 105 Cb -0.10 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 1onk s THR 105 CO 0.35 -0.18 0.51 -0.13 -0.69 0.00 0.00 174.62 174.48 1onk s ARG 106 N 3.04 4.16 0.04 4.92 0.52 -1.26 0.47 118.95 130.83 1onk s ARG 106 Ca 0.37 0.38 0.05 0.00 -0.52 0.00 0.00 55.73 56.01 1onk s ARG 106 Cb -0.15 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.72 1onk s ARG 106 CO 0.09 -0.20 -0.16 -1.12 0.02 0.00 0.00 175.30 173.94 1onk s SER 107 N 1.25 1.85 -0.15 0.23 0.01 0.15 -4.95 113.70 112.09 1onk s SER 107 Ca 0.23 -0.46 -0.07 0.00 1.31 0.00 0.00 55.95 56.96 1onk s SER 107 Cb -0.15 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 1onk s SER 107 CO 0.09 0.07 0.08 -0.44 0.41 0.00 0.00 173.24 173.46 1onk s SER 108 N -1.11 5.87 0.32 2.44 0.01 -1.26 0.87 113.70 120.83 1onk s SER 108 Ca 0.03 0.24 -0.12 0.00 1.31 0.00 0.00 55.95 57.40 1onk s SER 108 Cb -0.08 -1.92 -0.08 0.00 0.21 0.00 0.00 66.02 64.15 1onk s SER 108 CO 0.01 0.29 0.70 -0.76 0.41 0.00 0.00 173.24 173.89 1onk s LEU 109 N -0.33 4.04 0.00 2.44 1.43 0.25 -4.89 118.68 121.62 1onk s LEU 109 Ca 0.10 1.15 0.21 0.00 -1.03 0.00 0.00 54.13 54.55 1onk s LEU 109 Cb -0.12 -3.96 0.96 0.00 0.03 0.00 0.00 46.19 43.10 1onk s LEU 109 CO 0.01 -0.22 1.65 -0.81 0.23 0.00 0.00 176.35 177.22 1onk n PRO 110 N -0.53 1.42 -4.37 1.29 -0.04 -1.26 -3.26 135.00 128.25 1onk n PRO 110 Ca 0.02 -0.63 -0.21 0.00 -0.04 0.00 0.00 63.50 62.65 1onk n PRO 110 Cb 0.53 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 1onk n PRO 110 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1onk s PHE 111 N -1.89 1.87 0.25 0.54 -0.12 -1.26 -4.87 117.98 112.49 1onk s PHE 111 Ca 0.32 -0.49 0.01 0.00 -0.05 0.00 0.00 56.93 56.72 1onk s PHE 111 Cb 0.16 -0.87 0.05 0.00 -0.63 0.00 0.00 43.02 41.73 1onk s PHE 111 CO 0.25 0.43 0.34 0.27 -0.05 0.00 0.00 175.22 176.46 1onk n ASN 112 N -0.23 0.62 -0.98 1.98 0.23 -1.26 -1.01 115.26 114.61 1onk n ASN 112 Ca -0.09 -1.48 0.06 0.00 -0.53 0.00 0.00 54.58 52.54 1onk n ASN 112 Cb 0.59 -0.20 0.21 0.00 -2.08 0.00 0.00 39.78 38.30 1onk n ASN 112 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1onk n GLY 113 N 2.25 1.48 3.74 4.83 0.00 -1.26 -3.90 105.19 112.33 1onk n GLY 113 Ca 0.06 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1onk n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1onk s SER 114 N -0.83 6.83 0.16 1.61 1.04 -1.26 -4.83 113.70 116.41 1onk s SER 114 Ca 0.30 2.46 -0.18 0.00 0.48 0.00 0.00 55.95 59.01 1onk s SER 114 Cb 0.18 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.75 1onk s SER 114 CO 0.17 -0.58 1.67 1.88 0.98 0.00 0.00 173.24 177.36 1onk h TYR 115 N 5.46 -0.23 0.16 5.02 0.05 -1.98 0.21 116.97 125.66 1onk h TYR 115 Ca -0.45 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.37 1onk h TYR 115 Cb 1.21 0.16 -0.04 0.00 1.01 0.00 0.00 36.73 39.07 1onk h TYR 115 CO 0.62 -0.17 -0.52 -1.35 -1.05 0.00 0.00 178.16 175.69 1onk h PRO 116 N -0.03 -0.74 0.06 4.88 0.11 -1.98 0.43 132.00 134.73 1onk h PRO 116 Ca 0.16 0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.34 1onk h PRO 116 Cb 0.28 0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.51 1onk h PRO 116 CO -0.36 -0.49 -0.54 0.22 -0.21 0.00 0.00 178.00 176.62 1onk h ASP 117 N -0.77 -1.64 -0.66 -2.05 3.58 -1.76 -1.60 116.42 111.52 1onk h ASP 117 Ca -0.01 0.18 0.14 0.00 0.42 0.00 0.00 57.03 57.76 1onk h ASP 117 Cb 0.76 0.61 -0.11 0.00 1.72 0.00 0.00 39.33 42.31 1onk h ASP 117 CO -0.25 -0.54 -0.00 0.25 -2.88 0.00 0.00 179.24 175.81 1onk h LEU 118 N -0.71 -0.30 -1.46 2.28 5.85 -0.39 -0.40 115.31 120.17 1onk h LEU 118 Ca 0.00 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1onk h LEU 118 Cb 0.74 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1onk h LEU 118 CO -0.33 -0.13 0.30 -0.33 -0.34 0.00 0.00 178.44 177.61 1onk h GLU 119 N 0.11 0.67 -0.62 1.25 3.07 -0.38 0.58 114.58 119.26 1onk h GLU 119 Ca 0.35 -0.05 0.11 0.00 -0.50 0.00 0.00 59.36 59.27 1onk h GLU 119 Cb 0.58 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 1onk h GLU 119 CO -0.57 0.47 0.41 0.00 -1.40 0.00 0.00 179.01 177.92 1onk h ARG 120 N 0.68 0.36 0.00 2.33 3.08 -0.11 0.35 114.38 121.08 1onk h ARG 120 Ca 0.18 -0.02 -0.38 0.00 0.07 0.00 0.00 59.98 59.82 1onk h ARG 120 Cb -0.03 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 29.87 1onk h ARG 120 CO -0.03 0.24 -2.45 0.66 -1.07 0.00 0.00 179.97 177.32 1onk n TYR 121 N -4.46 0.04 0.04 3.04 4.02 0.00 -4.64 117.16 115.19 1onk n TYR 121 Ca 0.10 0.01 -0.08 0.00 -0.01 0.00 0.00 57.90 57.92 1onk n TYR 121 Cb 0.42 -1.01 -0.13 0.00 -0.02 0.00 0.00 39.34 38.61 1onk n TYR 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1onk h ALA 122 N 0.20 0.46 0.00 -0.72 0.00 0.24 -3.40 119.26 116.04 1onk h ALA 122 Ca -0.57 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.26 1onk h ALA 122 Cb 1.97 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1onk h ALA 122 CO -0.06 1.34 0.00 0.41 0.00 0.00 0.00 179.25 180.94 1onk n GLY 123 N 1.43 -3.28 3.72 0.00 0.00 0.12 -4.65 105.19 102.53 1onk n GLY 123 Ca -0.06 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1onk n GLY 123 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1onk s HIS 124 N -0.70 3.56 0.39 1.61 3.76 -1.26 -4.35 115.29 118.30 1onk s HIS 124 Ca 0.00 1.52 0.19 0.00 -0.15 0.00 0.00 55.06 56.62 1onk s HIS 124 Cb 0.00 -3.28 1.15 0.00 1.11 0.00 0.00 32.58 31.56 1onk s HIS 124 CO 0.00 -0.66 1.72 0.00 -0.85 0.00 0.00 174.74 174.94 1onk h ARG 125 N 6.28 0.33 0.00 1.40 3.08 -1.94 -1.52 114.38 122.00 1onk h ARG 125 Ca -0.42 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1onk h ARG 125 Cb 1.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1onk h ARG 125 CO 0.77 0.22 0.00 -0.40 -1.07 0.00 0.00 179.97 179.48 1onk n ASP 126 N -4.74 0.00 -0.03 7.04 3.85 -1.26 -2.11 116.55 119.31 1onk n ASP 126 Ca 0.29 -0.54 0.02 0.00 -0.71 0.00 0.00 54.79 53.85 1onk n ASP 126 Cb 1.00 -0.14 0.03 0.00 -1.35 0.00 0.00 41.12 40.66 1onk n ASP 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1onk n GLN 127 N -1.14 2.38 -3.75 0.11 6.02 -0.58 -4.82 117.38 115.60 1onk n GLN 127 Ca 0.18 -1.67 -0.38 0.00 -0.01 0.00 0.00 57.00 55.12 1onk n GLN 127 Cb 0.16 -1.07 -0.12 0.00 1.02 0.00 0.00 30.24 30.23 1onk n GLN 127 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1onk s ILE 128 N -1.34 3.76 0.61 5.09 1.01 -0.90 -5.02 121.20 124.42 1onk s ILE 128 Ca 0.07 -1.21 -0.19 0.00 0.00 0.00 0.00 60.65 59.32 1onk s ILE 128 Cb 0.06 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 1onk s ILE 128 CO 0.01 -0.23 1.25 -2.65 0.00 0.00 0.00 174.94 173.32 1onk n PRO 129 N 4.80 1.25 -4.47 2.79 -0.02 -1.26 -4.69 135.00 133.40 1onk n PRO 129 Ca -0.12 0.48 -0.24 0.00 -2.02 0.00 0.00 63.50 61.60 1onk n PRO 129 Cb 0.44 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 1onk n PRO 129 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1onk s LEU 130 N -3.60 2.62 0.00 2.45 1.43 0.17 -4.91 118.68 116.85 1onk s LEU 130 Ca 0.78 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1onk s LEU 130 Cb -0.40 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 44.85 1onk s LEU 130 CO 0.44 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.53 1onk n GLY 131 N -0.64 1.90 0.36 -3.19 0.00 -1.26 -0.06 105.19 102.29 1onk n GLY 131 Ca -0.05 -1.75 0.04 0.00 0.00 0.00 0.00 46.02 44.25 1onk n GLY 131 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1onk h ILE 132 N 3.00 1.08 -0.56 -0.61 6.09 -1.87 -1.13 117.51 123.51 1onk h ILE 132 Ca 0.00 -0.35 0.01 0.00 -1.37 0.00 0.00 64.86 63.14 1onk h ILE 132 Cb 0.00 -0.04 -0.03 0.00 0.47 0.00 0.00 36.82 37.22 1onk h ILE 132 CO 0.00 0.19 0.37 0.44 -3.07 0.00 0.00 178.15 176.08 1onk h ASP 133 N 1.03 0.64 0.14 2.19 3.32 -1.91 0.15 116.42 121.98 1onk h ASP 133 Ca 0.38 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.30 1onk h ASP 133 Cb 0.16 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1onk h ASP 133 CO -0.13 0.46 -0.38 1.56 -1.72 0.00 0.00 179.24 179.03 1onk h GLN 134 N 0.76 0.32 0.62 3.56 7.50 -1.74 0.37 115.11 126.50 1onk h GLN 134 Ca 0.21 -0.15 -0.03 0.00 0.50 0.00 0.00 58.65 59.18 1onk h GLN 134 Cb -0.08 -0.01 0.01 0.00 0.05 0.00 0.00 27.48 27.45 1onk h GLN 134 CO -0.05 0.66 -0.30 1.25 -1.50 0.00 0.00 178.83 178.90 1onk h LEU 135 N 0.27 -0.71 -0.48 1.46 5.85 -0.55 -0.63 115.31 120.53 1onk h LEU 135 Ca 0.03 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1onk h LEU 135 Cb 0.80 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.92 1onk h LEU 135 CO 0.06 -0.39 -0.13 0.40 -0.34 0.00 0.00 178.44 178.05 1onk h ILE 136 N -1.03 0.51 -0.36 4.05 2.04 -0.60 -1.57 117.51 120.56 1onk h ILE 136 Ca -0.09 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1onk h ILE 136 Cb 0.69 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1onk h ILE 136 CO 0.14 0.00 0.08 1.56 0.00 0.00 0.00 178.15 179.93 1onk h GLN 137 N -0.01 0.53 -0.06 2.37 4.20 -0.19 -2.63 115.11 119.32 1onk h GLN 137 Ca 0.23 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.73 1onk h GLN 137 Cb 0.36 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1onk h GLN 137 CO -0.49 0.50 -0.53 0.77 -0.67 0.00 0.00 178.83 178.40 1onk h SER 138 N 0.52 0.17 0.42 1.46 0.02 -0.13 -1.34 113.55 114.68 1onk h SER 138 Ca 0.12 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1onk h SER 138 Cb 0.22 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1onk h SER 138 CO -0.00 0.67 -0.20 0.58 -1.14 0.00 0.00 176.83 176.73 1onk h VAL 139 N 0.12 0.59 -0.23 2.27 2.07 -1.06 -1.42 116.25 118.58 1onk h VAL 139 Ca 0.00 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.46 1onk h VAL 139 Cb 0.97 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1onk h VAL 139 CO 0.08 0.02 -0.15 0.74 0.02 0.00 0.00 177.57 178.28 1onk h THR 140 N -0.64 0.57 -0.85 2.57 2.02 -1.40 0.41 112.91 115.61 1onk h THR 140 Ca -0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.19 1onk h THR 140 Cb 0.47 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 1onk h THR 140 CO 0.10 0.00 0.52 0.00 0.37 0.00 0.00 175.52 176.50 1onk h ALA 141 N 1.04 1.17 0.00 6.16 0.00 -1.22 -1.12 119.26 125.28 1onk h ALA 141 Ca 0.13 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1onk h ALA 141 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1onk h ALA 141 CO -0.32 0.25 -0.72 -0.07 0.00 0.00 0.00 179.25 178.40 1onk h LEU 142 N 0.94 0.00 -1.12 0.00 3.38 -0.76 -3.32 115.31 114.43 1onk h LEU 142 Ca 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.29 1onk h LEU 142 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1onk h LEU 142 CO -0.18 0.54 0.03 -0.09 0.09 0.00 0.00 178.44 178.83 1onk h ARG 143 N 0.00 0.65 -5.53 1.13 9.65 0.11 -3.42 114.38 116.97 1onk h ARG 143 Ca -0.04 -0.14 -0.66 0.00 -1.10 0.00 0.00 59.98 58.04 1onk h ARG 143 Cb 1.44 -0.09 -0.24 0.00 -1.39 0.00 0.00 29.97 29.69 1onk h ARG 143 CO 0.06 0.65 -0.73 -0.06 2.80 0.00 0.00 179.97 182.69 1onk s PHE 144 N -5.03 2.87 0.59 2.20 0.08 -1.01 -4.72 117.98 112.96 1onk s PHE 144 Ca -0.08 -0.41 -0.19 0.00 0.12 0.00 0.00 56.93 56.37 1onk s PHE 144 Cb 0.15 -1.83 -0.05 0.00 -0.57 0.00 0.00 43.02 40.72 1onk s PHE 144 CO 0.78 -0.05 1.04 -2.30 -0.10 0.00 0.00 175.22 174.59 1onk n PRO 145 N 3.22 1.01 0.00 0.24 -0.02 -1.26 -4.34 135.00 133.85 1onk n PRO 145 Ca -0.18 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1onk n PRO 145 Cb 0.53 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1onk n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1onk n GLY 146 N 1.20 1.26 3.94 -1.23 0.00 -1.26 -5.14 105.19 103.95 1onk n GLY 146 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1onk n GLY 146 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1onk s GLY 147 N -1.44 1.74 0.74 -0.02 0.00 -1.26 -5.04 107.32 102.03 1onk s GLY 147 Ca 0.00 -1.21 -0.11 0.00 0.00 0.00 0.00 44.72 43.40 1onk s GLY 147 CO 0.00 -0.56 1.08 -1.35 0.00 0.00 0.00 173.10 172.27 1onk s SER 148 N -4.78 5.03 0.34 1.64 1.04 -1.26 -4.91 113.70 110.80 1onk s SER 148 Ca 0.69 1.48 0.02 0.00 0.48 0.00 0.00 55.95 58.62 1onk s SER 148 Cb -0.06 -2.30 0.61 0.00 0.10 0.00 0.00 66.02 64.38 1onk s SER 148 CO 0.50 -1.65 1.98 0.74 0.98 0.00 0.00 173.24 175.78 1onk h THR 149 N -0.86 1.12 -0.30 2.02 2.02 -1.97 -1.59 112.91 113.35 1onk h THR 149 Ca -0.45 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.43 1onk h THR 149 Cb 1.23 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1onk h THR 149 CO 0.58 0.16 0.18 -0.09 0.37 0.00 0.00 175.52 176.72 1onk h ARG 150 N 0.90 0.36 -0.96 6.66 2.43 -1.91 0.14 114.38 122.00 1onk h ARG 150 Ca 0.28 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1onk h ARG 150 Cb 0.02 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 1onk h ARG 150 CO -0.08 0.24 0.61 1.15 -1.51 0.00 0.00 179.97 180.38 1onk h THR 151 N 0.37 1.25 -0.06 0.20 2.02 -1.65 -1.50 112.91 113.54 1onk h THR 151 Ca 0.12 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1onk h THR 151 Cb -0.01 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.26 1onk h THR 151 CO -0.05 0.25 0.04 1.56 0.37 0.00 0.00 175.52 177.69 1onk h GLN 152 N 1.30 0.08 -0.41 6.66 4.20 -0.60 -0.83 115.11 125.51 1onk h GLN 152 Ca 0.35 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.03 1onk h GLN 152 Cb -0.12 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1onk h GLN 152 CO -0.07 0.07 0.17 0.00 -0.67 0.00 0.00 178.83 178.33 1onk h ALA 153 N 1.01 0.53 -0.73 3.87 0.00 -0.44 -0.96 119.26 122.55 1onk h ALA 153 Ca 0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1onk h ALA 153 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1onk h ALA 153 CO -0.00 0.12 0.22 -0.09 0.00 0.00 0.00 179.25 179.50 1onk h ARG 154 N 0.52 1.14 -0.67 0.00 2.43 -1.19 0.20 114.38 116.81 1onk h ARG 154 Ca 0.14 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1onk h ARG 154 Cb 0.17 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1onk h ARG 154 CO -0.01 0.97 0.28 0.77 -1.51 0.00 0.00 179.97 180.47 1onk h SER 155 N 1.09 0.90 0.09 -3.80 0.02 -0.87 -0.57 113.55 110.42 1onk h SER 155 Ca 0.23 -0.16 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 1onk h SER 155 Cb 0.32 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1onk h SER 155 CO -0.01 0.81 -0.50 0.40 -1.14 0.00 0.00 176.83 176.40 1onk h ILE 156 N 0.93 1.32 -0.68 3.27 2.04 -0.53 -2.52 117.51 121.36 1onk h ILE 156 Ca 0.22 -1.73 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 1onk h ILE 156 Cb 0.18 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1onk h ILE 156 CO -0.02 0.53 0.30 0.25 0.00 0.00 0.00 178.15 179.21 1onk h LEU 157 N 0.36 0.89 -0.36 1.44 6.46 -0.18 0.33 115.31 124.25 1onk h LEU 157 Ca 0.02 -0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.57 1onk h LEU 157 Cb 1.00 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.70 1onk h LEU 157 CO 0.09 0.77 -0.16 0.40 -0.62 0.00 0.00 178.44 178.91 1onk h ILE 158 N 0.97 1.28 -0.23 4.05 2.04 -0.81 -2.11 117.51 122.70 1onk h ILE 158 Ca 0.23 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1onk h ILE 158 Cb 0.13 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1onk h ILE 158 CO -0.03 0.42 0.15 -0.07 0.00 0.00 0.00 178.15 178.62 1onk h LEU 159 N 0.54 0.26 -1.26 1.44 3.38 -0.96 -0.28 115.31 118.43 1onk h LEU 159 Ca 0.08 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1onk h LEU 159 Cb 0.70 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1onk h LEU 159 CO 0.05 0.19 0.49 0.40 0.09 0.00 0.00 178.44 179.66 1onk h ILE 160 N 0.30 1.19 0.08 1.22 2.04 -0.30 -0.66 117.51 121.39 1onk h ILE 160 Ca 0.08 -0.36 -0.26 0.00 1.00 0.00 0.00 64.86 65.33 1onk h ILE 160 Cb -0.03 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.15 1onk h ILE 160 CO -0.02 0.19 -1.13 1.56 0.00 0.00 0.00 178.15 178.74 1onk h GLN 161 N 1.01 0.39 -0.00 2.37 4.20 -0.86 -0.18 115.11 122.04 1onk h GLN 161 Ca 0.27 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1onk h GLN 161 Cb -0.11 0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1onk h GLN 161 CO -0.06 1.21 -0.26 -1.33 -0.67 0.00 0.00 178.83 177.72 1onk n MET 162 N -3.67 0.03 0.00 1.46 2.81 -0.16 -3.37 117.12 114.22 1onk n MET 162 Ca -0.09 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1onk n MET 162 Cb 0.95 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.96 1onk n MET 162 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1onk n ILE 163 N -1.47 0.00 0.01 2.02 5.41 -0.28 -4.55 119.36 120.49 1onk n ILE 163 Ca 0.07 0.03 -0.10 0.00 1.00 0.00 0.00 62.75 63.75 1onk n ILE 163 Cb 0.34 -0.79 -0.03 0.00 -0.71 0.00 0.00 39.64 38.44 1onk n ILE 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1onk h SER 164 N 0.00 -0.45 0.29 4.38 0.02 -1.56 0.10 113.55 116.34 1onk h SER 164 Ca 0.00 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1onk h SER 164 Cb 0.00 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1onk h SER 164 CO 0.00 -0.19 -0.24 -0.33 -1.14 0.00 0.00 176.83 174.93 1onk h GLU 165 N -0.19 0.00 0.01 3.45 4.39 -1.14 -1.57 114.58 119.53 1onk h GLU 165 Ca 0.09 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.58 1onk h GLU 165 Cb 0.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1onk h GLU 165 CO -0.22 0.24 -0.90 0.00 -1.16 0.00 0.00 179.01 176.97 1onk h ALA 166 N 1.76 0.48 -0.34 3.43 0.00 -1.41 -1.08 119.26 122.09 1onk h ALA 166 Ca -0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 1onk h ALA 166 Cb 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1onk h ALA 166 CO 0.03 0.90 -0.12 0.00 0.00 0.00 0.00 179.25 180.07 1onk h ALA 167 N 0.92 1.16 0.08 0.00 0.00 -0.00 -3.26 119.26 118.15 1onk h ALA 167 Ca -0.05 -0.29 -0.29 0.00 0.00 0.00 0.00 54.91 54.29 1onk h ALA 167 Cb 1.53 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1onk h ALA 167 CO 0.14 0.53 -1.47 0.00 0.00 0.00 0.00 179.25 178.46 1onk h ARG 168 N 0.55 0.16 -4.52 0.00 3.08 -1.06 -3.40 114.38 109.20 1onk h ARG 168 Ca 0.10 -0.28 -0.56 0.00 0.07 0.00 0.00 59.98 59.31 1onk h ARG 168 Cb 0.52 0.10 -0.36 0.00 0.08 0.00 0.00 29.97 30.32 1onk h ARG 168 CO 0.03 0.99 -0.82 -0.06 -1.07 0.00 0.00 179.97 179.04 1onk s PHE 169 N -2.63 1.80 0.23 3.04 0.08 -0.43 -0.02 117.98 120.05 1onk s PHE 169 Ca -0.07 -0.91 -0.08 0.00 0.12 0.00 0.00 56.93 55.99 1onk s PHE 169 Cb 0.08 -1.37 0.20 0.00 -0.57 0.00 0.00 43.02 41.36 1onk s PHE 169 CO 0.84 -0.53 1.89 -0.91 -0.10 0.00 0.00 175.22 176.41 1onk h ASN 170 N 7.83 1.03 -0.32 1.36 2.35 -0.99 -0.66 115.58 126.18 1onk h ASN 170 Ca -0.33 -0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.44 1onk h ASN 170 Cb 1.15 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 1onk h ASN 170 CO 0.47 0.77 0.22 -0.65 -1.65 0.00 0.00 177.43 176.59 1onk h PRO 171 N 1.19 0.12 0.14 0.81 0.11 -1.89 0.63 132.00 133.11 1onk h PRO 171 Ca 0.32 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 66.13 1onk h PRO 171 Cb -0.10 -0.03 0.03 0.00 0.11 0.00 0.00 31.00 31.02 1onk h PRO 171 CO -0.06 0.08 -1.23 0.82 -0.21 0.00 0.00 178.00 177.40 1onk h ILE 172 N 0.13 1.30 -0.26 4.15 2.04 -1.56 -2.21 117.51 121.10 1onk h ILE 172 Ca 0.15 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.53 1onk h ILE 172 Cb 0.42 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 1onk h ILE 172 CO -0.02 0.75 0.17 0.25 0.00 0.00 0.00 178.15 179.30 1onk h LEU 173 N 0.20 0.30 -0.83 1.44 5.85 -0.58 -1.30 115.31 120.39 1onk h LEU 173 Ca -0.19 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 1onk h LEU 173 Cb 1.91 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.85 1onk h LEU 173 CO 0.23 0.22 -0.03 -0.50 -0.34 0.00 0.00 178.44 178.02 1onk h TRP 174 N 0.35 0.91 -0.02 1.25 4.06 -0.97 -1.02 115.95 120.52 1onk h TRP 174 Ca 0.10 -0.14 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 1onk h TRP 174 Cb -0.04 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 27.88 1onk h TRP 174 CO -0.06 0.85 0.01 -0.09 -3.56 0.00 0.00 178.44 175.59 1onk h ARG 175 N 0.77 0.03 -0.59 0.49 2.43 -1.20 -0.40 114.38 115.91 1onk h ARG 175 Ca 0.14 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 1onk h ARG 175 Cb 0.51 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 1onk h ARG 175 CO 0.03 0.17 0.30 1.88 -1.51 0.00 0.00 179.97 180.85 1onk h TYR 176 N -0.13 0.56 -0.35 2.20 0.99 -1.08 -2.39 116.97 116.77 1onk h TYR 176 Ca 0.01 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.81 1onk h TYR 176 Cb 0.16 -0.16 -0.05 0.00 1.00 0.00 0.00 36.73 37.68 1onk h TYR 176 CO -0.02 0.25 0.06 -0.09 -0.00 0.00 0.00 178.16 178.36 1onk h ARG 177 N 0.57 0.17 -0.34 4.88 2.43 -0.95 0.14 114.38 121.29 1onk h ARG 177 Ca 0.27 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.49 1onk h ARG 177 Cb 0.19 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 1onk h ARG 177 CO -0.19 0.11 -0.01 0.37 -1.51 0.00 0.00 179.97 178.75 1onk h GLN 178 N 0.18 0.09 0.03 0.20 4.15 -0.61 -1.46 115.11 117.68 1onk h GLN 178 Ca 0.17 -0.01 -0.22 0.00 0.77 0.00 0.00 58.65 59.36 1onk h GLN 178 Cb 0.20 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1onk h GLN 178 CO -0.23 0.06 -1.04 1.88 -1.93 0.00 0.00 178.83 177.57 1onk h TYR 179 N 0.09 0.14 -0.39 3.99 0.05 -1.02 -0.74 116.97 119.09 1onk h TYR 179 Ca 0.16 -0.10 0.03 0.00 0.05 0.00 0.00 58.73 58.87 1onk h TYR 179 Cb 0.23 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 1onk h TYR 179 CO -0.24 1.06 0.26 0.82 -1.05 0.00 0.00 178.16 179.00 1onk h ILE 180 N 0.03 1.03 -0.32 -2.88 2.04 -0.60 0.92 117.51 117.73 1onk h ILE 180 Ca -0.04 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.56 1onk h ILE 180 Cb 1.78 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1onk h ILE 180 CO 0.15 0.08 -0.26 0.78 0.00 0.00 0.00 178.15 178.90 1onk h ASN 181 N 0.42 0.78 1.49 1.72 2.35 -0.72 -3.10 115.58 118.53 1onk h ASN 181 Ca 0.16 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1onk h ASN 181 Cb 0.11 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1onk h ASN 181 CO -0.04 1.06 -0.25 0.77 -1.65 0.00 0.00 177.43 177.33 1onk h SER 182 N 0.50 0.00 0.00 5.81 4.64 -0.55 -3.48 113.55 120.48 1onk h SER 182 Ca 0.06 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1onk h SER 182 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1onk h SER 182 CO 0.07 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1onk n GLY 183 N 1.22 1.16 3.85 -0.77 0.00 0.31 -5.00 105.19 105.96 1onk n GLY 183 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1onk n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1onk s ALA 184 N -3.91 3.15 0.33 4.61 0.00 -1.08 -4.87 121.76 119.99 1onk s ALA 184 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 1onk s ALA 184 Cb 0.00 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1onk s ALA 184 CO 0.00 -0.12 0.55 -1.12 0.00 0.00 0.00 175.76 175.07 1onk s SER 185 N -2.99 6.32 0.21 0.00 0.01 -1.26 -4.58 113.70 111.42 1onk s SER 185 Ca 0.57 0.51 -0.11 0.00 1.31 0.00 0.00 55.95 58.22 1onk s SER 185 Cb -0.10 -2.06 -0.01 0.00 0.21 0.00 0.00 66.02 64.07 1onk s SER 185 CO 0.29 -0.27 0.40 0.72 0.41 0.00 0.00 173.24 174.79 1onk s PHE 186 N -2.26 0.40 -0.07 2.43 -0.71 0.91 -4.95 117.98 113.73 1onk s PHE 186 Ca 0.41 -0.75 0.02 0.00 -1.04 0.00 0.00 56.93 55.57 1onk s PHE 186 Cb -0.10 0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 1onk s PHE 186 CO 0.35 -0.88 -0.11 -0.51 -1.34 0.00 0.00 175.22 172.73 1onk s LEU 187 N -3.00 2.90 0.42 -1.99 1.43 -1.26 0.44 118.68 117.61 1onk s LEU 187 Ca 0.21 -0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 52.91 1onk s LEU 187 Cb 0.01 -1.61 -0.09 0.00 0.03 0.00 0.00 46.19 44.53 1onk s LEU 187 CO 0.06 0.33 1.44 -2.16 0.23 0.00 0.00 176.35 176.24 1onk s PRO 188 N -0.62 3.84 0.70 1.29 0.04 -1.26 -5.00 135.00 134.00 1onk s PRO 188 Ca 0.09 2.45 -0.01 0.00 0.04 0.00 0.00 61.00 63.57 1onk s PRO 188 Cb -0.11 -2.77 0.12 0.00 0.04 0.00 0.00 34.50 31.78 1onk s PRO 188 CO 0.01 -0.70 0.97 0.16 0.04 0.00 0.00 177.00 177.48 1onk s ASP 189 N -0.41 4.45 0.13 6.66 3.84 -1.26 -4.85 116.67 125.24 1onk s ASP 189 Ca 0.58 -0.31 -0.25 0.00 -0.00 0.00 0.00 52.55 52.58 1onk s ASP 189 Cb -0.44 -0.13 -0.02 0.00 -1.38 0.00 0.00 42.92 40.95 1onk s ASP 189 CO 0.58 -1.78 1.63 0.58 -0.00 0.00 0.00 175.17 176.18 1onk h VAL 190 N -0.47 0.39 -0.01 2.11 2.07 -1.94 0.37 116.25 118.77 1onk h VAL 190 Ca -0.37 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.18 1onk h VAL 190 Cb 1.27 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1onk h VAL 190 CO 0.42 0.00 -0.39 0.22 0.02 0.00 0.00 177.57 177.84 1onk h TYR 191 N -0.34 -1.09 -0.27 1.57 3.20 -1.96 0.54 116.97 118.62 1onk h TYR 191 Ca 0.09 0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.06 1onk h TYR 191 Cb 0.48 0.48 -0.07 0.00 1.54 0.00 0.00 36.73 39.16 1onk h TYR 191 CO -0.34 -0.47 -0.20 1.98 -1.64 0.00 0.00 178.16 177.48 1onk h MET 192 N -0.54 -0.18 -0.67 1.82 4.05 -1.85 0.24 114.93 117.80 1onk h MET 192 Ca 0.05 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1onk h MET 192 Cb 0.63 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.43 1onk h MET 192 CO -0.31 -0.12 0.40 -0.07 0.23 0.00 0.00 176.91 177.04 1onk h LEU 193 N -0.18 0.80 0.00 3.39 3.38 0.51 -2.09 115.31 121.11 1onk h LEU 193 Ca 0.15 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1onk h LEU 193 Cb 0.41 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1onk h LEU 193 CO -0.39 0.62 -0.21 -0.33 0.09 0.00 0.00 178.44 178.23 1onk h GLU 194 N 0.92 0.00 0.08 1.13 5.08 0.15 -2.61 114.58 119.32 1onk h GLU 194 Ca 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1onk h GLU 194 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1onk h GLU 194 CO -0.04 0.19 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.05 1onk h LEU 195 N 0.00 -0.09 -0.72 1.33 3.38 0.07 -1.80 115.31 117.48 1onk h LEU 195 Ca -0.00 -0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.04 1onk h LEU 195 Cb 1.15 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.83 1onk h LEU 195 CO 0.03 0.01 0.23 -0.33 0.09 0.00 0.00 178.44 178.47 1onk h GLU 196 N -0.19 0.35 -0.00 1.13 5.08 -1.27 -0.97 114.58 118.70 1onk h GLU 196 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1onk h GLU 196 Cb 0.16 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1onk h GLU 196 CO 0.02 0.23 -0.27 0.25 -1.00 0.00 0.00 179.01 178.24 1onk n THR 197 N -5.07 0.00 0.01 1.13 -2.24 -1.00 -3.40 114.28 103.71 1onk n THR 197 Ca 0.13 -0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.98 1onk n THR 197 Cb 0.42 0.08 0.25 0.00 -2.10 0.00 0.00 70.33 68.98 1onk n THR 197 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1onk n SER 198 N -1.18 3.61 -0.03 3.42 3.41 -0.41 -4.64 113.62 117.80 1onk n SER 198 Ca 0.09 -1.98 -0.08 0.00 -0.26 0.00 0.00 58.87 56.64 1onk n SER 198 Cb 0.32 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1onk n SER 198 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1onk h TRP 199 N 4.21 -0.39 -0.77 7.33 7.01 -1.45 0.81 115.95 132.70 1onk h TRP 199 Ca 0.00 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.98 1onk h TRP 199 Cb 0.96 0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 28.19 1onk h TRP 199 CO 0.34 -0.23 0.30 0.78 -2.79 0.00 0.00 178.44 176.84 1onk h GLY 200 N -0.16 1.24 0.98 2.65 0.00 -1.87 -2.14 103.07 103.76 1onk h GLY 200 Ca 0.12 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 1onk h GLY 200 CO -0.29 0.64 0.13 1.46 0.00 0.00 0.00 176.54 178.48 1onk h GLN 201 N 1.12 0.80 -0.26 4.80 4.20 -1.73 -1.25 115.11 122.79 1onk h GLN 201 Ca 0.26 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1onk h GLN 201 Cb 0.23 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1onk h GLN 201 CO -0.02 0.77 0.12 1.96 -0.67 0.00 0.00 178.83 180.99 1onk h GLN 202 N 0.70 0.39 -1.00 1.46 4.20 -0.72 0.14 115.11 120.27 1onk h GLN 202 Ca 0.16 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.87 1onk h GLN 202 Cb 0.32 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 1onk h GLN 202 CO 0.00 0.40 0.65 0.77 -0.67 0.00 0.00 178.83 179.97 1onk h SER 203 N 0.29 1.04 -0.03 1.46 0.02 -1.28 -0.29 113.55 114.75 1onk h SER 203 Ca 0.09 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1onk h SER 203 Cb 0.14 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1onk h SER 203 CO -0.01 0.67 -0.01 0.74 -1.14 0.00 0.00 176.83 177.08 1onk h THR 204 N 1.18 1.30 -0.81 -2.27 2.02 -0.73 -1.70 112.91 111.89 1onk h THR 204 Ca 0.43 -0.91 0.05 0.00 0.77 0.00 0.00 66.41 66.75 1onk h THR 204 Cb 0.15 1.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.35 1onk h THR 204 CO -0.17 0.24 0.50 1.56 0.37 0.00 0.00 175.52 178.03 1onk h GLN 205 N -0.29 0.91 -0.39 6.66 1.08 -0.51 0.10 115.11 122.67 1onk h GLN 205 Ca 0.01 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1onk h GLN 205 Cb 0.40 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1onk h GLN 205 CO 0.00 0.60 0.12 0.28 -0.95 0.00 0.00 178.83 178.89 1onk h VAL 206 N 0.94 1.21 0.00 -0.54 2.07 -1.00 -1.28 116.25 117.65 1onk h VAL 206 Ca 0.35 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 1onk h VAL 206 Cb 0.12 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1onk h VAL 206 CO -0.15 0.25 -0.49 1.56 0.02 0.00 0.00 177.57 178.75 1onk h GLN 207 N 0.49 0.00 -0.01 1.57 4.20 -0.41 -2.37 115.11 118.57 1onk h GLN 207 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1onk h GLN 207 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1onk h GLN 207 CO -0.00 0.49 -0.24 0.72 -0.67 0.00 0.00 178.83 179.12 1onk n HIS 208 N -3.59 0.00 -1.66 2.96 8.25 0.27 -4.98 115.22 116.47 1onk n HIS 208 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1onk n HIS 208 Cb 0.58 -0.09 0.07 0.00 1.12 0.00 0.00 29.99 31.67 1onk n HIS 208 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1onk n SER 209 N -0.45 1.75 -4.26 0.41 3.41 -0.49 -4.78 113.62 109.23 1onk n SER 209 Ca 0.13 0.80 -0.37 0.00 -0.26 0.00 0.00 58.87 59.17 1onk n SER 209 Cb 0.37 -1.52 -0.13 0.00 -0.26 0.00 0.00 64.21 62.66 1onk n SER 209 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1onk s THR 210 N -1.46 3.59 -1.23 6.66 2.01 0.42 -4.51 115.64 121.11 1onk s THR 210 Ca 0.81 -1.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 1onk s THR 210 Cb -0.38 -2.99 0.04 0.00 0.01 0.00 0.00 72.50 69.18 1onk s THR 210 CO 0.42 -0.09 0.36 0.47 -0.69 0.00 0.00 174.62 175.09 1onk n ASP 211 N 4.77 -3.96 0.00 3.53 10.43 -1.26 -0.82 116.55 129.24 1onk n ASP 211 Ca -0.13 -0.21 0.00 0.00 2.57 0.00 0.00 54.79 57.02 1onk n ASP 211 Cb 0.45 -3.30 0.00 0.00 1.84 0.00 0.00 41.12 40.11 1onk n ASP 211 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1onk n GLY 212 N -1.10 1.30 3.68 0.44 0.00 -1.26 -5.00 105.19 103.25 1onk n GLY 212 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1onk n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1onk s VAL 213 N -2.62 5.00 0.07 1.61 1.01 -0.00 -0.12 120.40 125.35 1onk s VAL 213 Ca 0.00 1.39 -0.31 0.00 0.00 0.00 0.00 61.98 63.06 1onk s VAL 213 Cb 0.00 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 1onk s VAL 213 CO 0.00 0.15 1.30 -0.36 0.00 0.00 0.00 175.10 176.18 1onk s PHE 214 N 1.53 3.29 -0.47 5.22 0.40 -0.57 -0.44 117.98 126.95 1onk s PHE 214 Ca 0.34 1.11 0.24 0.00 -0.60 0.00 0.00 56.93 58.02 1onk s PHE 214 Cb -0.17 -3.55 0.49 0.00 0.51 0.00 0.00 43.02 40.30 1onk s PHE 214 CO 0.14 -1.86 1.66 -0.91 0.70 0.00 0.00 175.22 174.95 1onk h ASN 215 N 6.92 0.00 -2.87 1.36 2.35 -1.86 -3.39 115.58 118.09 1onk h ASN 215 Ca -0.41 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 54.78 1onk h ASN 215 Cb 1.21 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.18 1onk h ASN 215 CO 0.84 0.00 -0.78 0.20 -1.65 0.00 0.00 177.43 176.04 1onk s ASN 216 N -5.83 3.56 0.59 5.81 -0.87 -1.26 -5.12 114.94 111.82 1onk s ASN 216 Ca 0.07 -1.59 -0.19 0.00 -1.57 0.00 0.00 52.86 49.58 1onk s ASN 216 Cb 0.07 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.25 40.75 1onk s ASN 216 CO 0.65 -0.40 1.17 -2.65 -2.57 0.00 0.00 177.10 173.29 1onk n PRO 217 N 4.86 1.19 -3.81 -0.60 -0.02 -1.26 -4.98 135.00 130.38 1onk n PRO 217 Ca -0.01 0.45 -0.36 0.00 -2.02 0.00 0.00 63.50 61.56 1onk n PRO 217 Cb 0.41 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 1onk n PRO 217 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1onk s ILE 218 N -1.40 4.51 -0.26 4.25 1.01 -0.79 -4.92 121.20 123.60 1onk s ILE 218 Ca 0.76 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.18 1onk s ILE 218 Cb -0.41 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 1onk s ILE 218 CO 0.46 0.36 0.25 -0.13 0.00 0.00 0.00 174.94 175.87 1onk s ARG 219 N 1.35 4.02 -0.15 2.79 1.81 -1.26 0.19 118.95 127.70 1onk s ARG 219 Ca 0.05 -0.17 -0.03 0.00 -1.72 0.00 0.00 55.73 53.86 1onk s ARG 219 Cb -0.15 -3.62 -0.03 0.00 -0.45 0.00 0.00 34.95 30.71 1onk s ARG 219 CO 0.04 -0.13 -0.05 -0.51 -0.68 0.00 0.00 175.30 173.97 1onk s LEU 220 N 1.62 3.19 0.43 2.53 1.43 0.41 -4.93 118.68 123.36 1onk s LEU 220 Ca 0.10 -0.15 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 1onk s LEU 220 Cb -0.15 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.23 1onk s LEU 220 CO 0.09 0.18 1.31 0.00 0.23 0.00 0.00 176.35 178.16 1onk s ALA 221 N 0.31 3.20 -0.10 4.21 0.00 -1.26 0.13 121.76 128.25 1onk s ALA 221 Ca -0.05 1.25 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 1onk s ALA 221 Cb -0.14 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.52 1onk s ALA 221 CO 0.03 -0.91 0.05 0.42 0.00 0.00 0.00 175.76 175.35 1onk s ILE 222 N -1.28 0.11 0.27 0.00 1.01 0.73 -4.09 121.20 117.95 1onk s ILE 222 Ca 0.59 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 1onk s ILE 222 Cb -0.38 -0.46 0.39 0.00 0.01 0.00 0.00 42.46 42.02 1onk s ILE 222 CO 0.49 0.05 1.42 -0.81 0.00 0.00 0.00 174.94 176.09 1onk n PRO 223 N 5.22 -0.08 -0.25 2.79 -0.04 -1.26 -2.66 135.00 138.72 1onk n PRO 223 Ca -0.06 1.38 0.19 0.00 -0.04 0.00 0.00 63.50 64.98 1onk n PRO 223 Cb 0.49 -2.15 0.30 0.00 -0.04 0.00 0.00 33.50 32.10 1onk n PRO 223 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1onk n PRO 224 N -5.38 0.00 0.00 0.54 -0.01 -1.26 -4.44 135.00 124.45 1onk n PRO 224 Ca 0.19 0.41 0.00 0.00 -0.01 0.00 0.00 63.50 64.09 1onk n PRO 224 Cb 0.62 -0.96 0.00 0.00 -0.01 0.00 0.00 33.50 33.16 1onk n PRO 224 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1onk n GLY 225 N -1.33 1.31 2.55 -1.23 0.00 -1.09 -5.13 105.19 100.27 1onk n GLY 225 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1onk n GLY 225 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1onk n ASN 226 N 0.00 -0.86 -4.28 1.61 6.94 -1.11 -5.07 115.26 112.50 1onk n ASN 226 Ca 0.00 -2.55 -0.15 0.00 -0.02 0.00 0.00 54.58 51.86 1onk n ASN 226 Cb 0.00 1.71 -0.10 0.00 -2.36 0.00 0.00 39.78 39.03 1onk n ASN 226 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1onk s PHE 227 N -3.25 1.36 -0.01 -2.53 -0.12 -1.26 -0.19 117.98 111.98 1onk s PHE 227 Ca 0.26 -1.00 -0.00 0.00 -0.05 0.00 0.00 56.93 56.13 1onk s PHE 227 Cb 0.00 -0.78 -0.04 0.00 -0.63 0.00 0.00 43.02 41.57 1onk s PHE 227 CO 0.18 -0.17 0.08 0.54 -0.05 0.00 0.00 175.22 175.81 1onk s VAL 228 N -3.59 4.73 -0.17 -2.49 0.11 0.35 -4.85 120.40 114.50 1onk s VAL 228 Ca 0.27 -0.40 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1onk s VAL 228 Cb 0.06 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.75 1onk s VAL 228 CO 0.07 0.35 -0.15 -0.89 -3.33 0.00 0.00 175.10 171.15 1onk s THR 229 N -1.19 2.60 -0.45 5.04 2.01 -1.26 0.15 115.64 122.54 1onk s THR 229 Ca 0.23 -0.78 -0.21 0.00 0.31 0.00 0.00 61.69 61.24 1onk s THR 229 Cb -0.12 -2.11 0.03 0.00 0.01 0.00 0.00 72.50 70.31 1onk s THR 229 CO 0.14 0.51 0.68 -0.76 -0.69 0.00 0.00 174.62 174.50 1onk s LEU 230 N 1.00 4.48 -0.00 4.42 1.43 0.50 -4.89 118.68 125.61 1onk s LEU 230 Ca -0.02 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1onk s LEU 230 Cb -0.15 -2.75 -0.09 0.00 0.03 0.00 0.00 46.19 43.23 1onk s LEU 230 CO -0.03 -0.84 0.29 0.35 0.23 0.00 0.00 176.35 176.35 1onk n THR 231 N 5.90 0.00 -3.71 5.49 -2.24 -1.26 -1.88 114.28 116.58 1onk n THR 231 Ca -0.01 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 1onk n THR 231 Cb 0.48 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.50 1onk n THR 231 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1onk s ASN 232 N -1.96 -0.14 0.41 3.42 3.84 -1.26 -1.50 114.94 117.73 1onk s ASN 232 Ca 0.02 -0.31 0.15 0.00 0.21 0.00 0.00 52.86 52.92 1onk s ASN 232 Cb 0.06 0.41 1.01 0.00 -0.55 0.00 0.00 41.25 42.18 1onk s ASN 232 CO 0.31 -0.75 1.88 0.58 -2.79 0.00 0.00 177.10 176.34 1onk h VAL 233 N 2.73 0.76 -0.12 -5.21 2.07 -0.90 -0.39 116.25 115.19 1onk h VAL 233 Ca -0.33 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.06 1onk h VAL 233 Cb 1.22 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1onk h VAL 233 CO 0.48 0.09 0.08 0.03 0.02 0.00 0.00 177.57 178.27 1onk h ARG 234 N 0.48 0.02 0.00 1.57 3.08 -1.96 0.17 114.38 117.74 1onk h ARG 234 Ca 0.42 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1onk h ARG 234 Cb 0.93 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1onk h ARG 234 CO -0.16 0.01 0.00 -0.25 -1.07 0.00 0.00 179.97 178.50 1onk n ASP 235 N -4.51 0.66 0.00 7.04 8.00 -0.16 -3.57 116.55 124.02 1onk n ASP 235 Ca -0.00 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.14 1onk n ASP 235 Cb 0.19 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 1onk n ASP 235 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1onk n VAL 236 N -2.21 0.00 -0.16 2.53 0.24 -0.07 -4.75 118.33 113.91 1onk n VAL 236 Ca 0.03 -0.47 0.13 0.00 -2.04 0.00 0.00 64.34 61.99 1onk n VAL 236 Cb 0.26 1.03 0.47 0.00 -1.47 0.00 0.00 33.84 34.12 1onk n VAL 236 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1onk h ILE 237 N 0.03 0.85 0.00 1.34 6.09 -1.29 0.11 117.51 124.64 1onk h ILE 237 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1onk h ILE 237 Cb 0.01 0.31 0.00 0.00 0.47 0.00 0.00 36.82 37.62 1onk h ILE 237 CO 0.00 0.09 -0.40 0.00 -3.07 0.00 0.00 178.15 174.77 1onk h ALA 238 N 1.65 0.76 0.00 0.18 0.00 -1.85 -3.41 119.26 116.59 1onk h ALA 238 Ca 0.35 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.09 1onk h ALA 238 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1onk h ALA 238 CO -0.12 0.00 -1.66 -1.13 0.00 0.00 0.00 179.25 176.34 1onk n SER 239 N -2.46 3.09 -4.60 0.00 3.41 0.24 -4.69 113.62 108.61 1onk n SER 239 Ca 0.03 -0.06 -0.43 0.00 -0.26 0.00 0.00 58.87 58.15 1onk n SER 239 Cb 0.48 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 1onk n SER 239 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1onk s LEU 240 N -5.68 3.56 -0.03 1.04 2.96 -0.30 -0.44 118.68 119.79 1onk s LEU 240 Ca -0.16 0.94 0.15 0.00 -0.22 0.00 0.00 54.13 54.84 1onk s LEU 240 Cb 0.04 -3.52 -0.20 0.00 0.50 0.00 0.00 46.19 43.01 1onk s LEU 240 CO 0.27 -1.52 0.63 0.00 -1.32 0.00 0.00 176.35 174.41 1onk n ALA 241 N 9.25 1.67 -3.45 5.97 0.00 0.97 -4.84 120.51 130.07 1onk n ALA 241 Ca 0.18 -0.76 -0.16 0.00 0.00 0.00 0.00 53.44 52.70 1onk n ALA 241 Cb 0.48 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 19.07 1onk n ALA 241 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1onk s ILE 242 N -2.71 0.01 0.13 0.00 2.07 -1.22 -4.39 121.20 115.09 1onk s ILE 242 Ca -0.05 -0.08 0.09 0.00 -1.41 0.00 0.00 60.65 59.21 1onk s ILE 242 Cb 0.08 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.67 1onk s ILE 242 CO 0.82 -0.04 -0.22 -0.04 -1.91 0.00 0.00 174.94 173.55 1onk s MET 243 N -1.62 1.25 0.22 3.50 -1.94 -0.84 -4.84 119.30 115.02 1onk s MET 243 Ca -0.09 -1.29 -0.31 0.00 -1.71 0.00 0.00 55.69 52.28 1onk s MET 243 Cb -0.01 -1.53 -0.11 0.00 2.01 0.00 0.00 34.83 35.19 1onk s MET 243 CO 0.06 0.35 1.65 -1.17 -0.01 0.00 0.00 175.02 175.89 1onk s LEU 244 N -2.18 4.37 -0.05 -0.03 2.96 -1.26 0.89 118.68 123.37 1onk s LEU 244 Ca 0.11 2.82 -0.30 0.00 -0.22 0.00 0.00 54.13 56.54 1onk s LEU 244 Cb -0.09 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1onk s LEU 244 CO 0.06 -0.92 1.33 0.12 -1.32 0.00 0.00 176.35 175.62 1onk s PHE 245 N 0.89 2.89 0.00 5.38 2.19 -1.26 -4.81 117.98 123.26 1onk s PHE 245 Ca 0.71 0.93 0.00 0.00 0.33 0.00 0.00 56.93 58.90 1onk s PHE 245 Cb -0.48 -3.58 0.00 0.00 -1.31 0.00 0.00 43.02 37.66 1onk s PHE 245 CO 0.35 -2.06 0.00 0.28 1.83 0.00 0.00 175.22 175.62 1onk n VAL 246 N 4.85 0.00 -1.20 3.12 0.31 -1.26 -4.87 118.33 119.28 1onk n VAL 246 Ca 0.13 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.16 1onk n VAL 246 Cb 0.45 -0.01 0.23 0.00 -0.91 0.00 0.00 33.84 33.60 1onk n VAL 246 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1onk n GLY 248 N -1.34 -3.22 0.00 0.00 0.00 -1.26 -5.11 105.19 94.26 1onk n GLY 248 Ca 0.13 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1onk n GLY 248 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11