#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h h HIS 2 N 0.00 0.00 0.00 6.34 -0.00 -2.09 -0.63 115.15 118.77 3h1h h HIS 2 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 3h1h h HIS 2 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 3h1h h HIS 2 CO 0.00 0.00 -0.27 -0.91 -0.00 0.00 0.00 177.93 176.75 3h1h h ASN 3 N 0.00 0.00 -0.08 3.10 2.35 -2.12 -2.27 115.58 116.56 3h1h h ASN 3 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3h1h h ASN 3 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3h1h h ASN 3 CO -0.00 0.27 0.00 0.47 -1.65 0.00 0.00 177.43 176.52 3h1h n ASP 4 N -4.01 0.94 -4.41 5.81 10.43 -0.24 -4.83 116.55 120.24 3h1h n ASP 4 Ca -0.02 -2.05 -0.33 0.00 2.57 0.00 0.00 54.79 54.96 3h1h n ASP 4 Cb 0.34 -0.26 -0.14 0.00 1.84 0.00 0.00 41.12 42.90 3h1h n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3h1h s VAL 5 N -1.58 3.11 0.04 2.53 1.01 -0.86 -5.00 120.40 119.65 3h1h s VAL 5 Ca 0.06 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3h1h s VAL 5 Cb 0.04 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 3h1h s VAL 5 CO 0.03 0.54 -0.07 0.42 0.00 0.00 0.00 175.10 176.02 3h1h s THR 6 N 0.08 0.46 0.02 3.92 -4.23 -1.26 -5.07 115.64 109.56 3h1h s THR 6 Ca -0.05 -1.08 -0.30 0.00 -1.18 0.00 0.00 61.69 59.07 3h1h s THR 6 Cb -0.15 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.06 3h1h s THR 6 CO 0.04 -0.42 1.15 -0.69 -0.54 0.00 0.00 174.62 174.16 3h1h s VAL 7 N -1.49 4.27 1.24 2.29 1.01 -1.26 -5.01 120.40 121.45 3h1h s VAL 7 Ca -0.10 1.62 -0.18 0.00 0.00 0.00 0.00 61.98 63.32 3h1h s VAL 7 Cb -0.09 -4.04 0.27 0.00 0.00 0.00 0.00 36.38 32.52 3h1h s VAL 7 CO -0.00 0.10 0.61 -2.65 0.00 0.00 0.00 175.10 173.15 3h1h n PRO 8 N 4.22 -3.34 -3.20 2.72 -0.02 -1.26 -4.93 135.00 129.19 3h1h n PRO 8 Ca 0.09 -0.98 -0.41 0.00 -2.02 0.00 0.00 63.50 60.18 3h1h n PRO 8 Cb 0.47 -1.77 -0.07 0.00 -0.02 0.00 0.00 33.50 32.11 3h1h n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3h1h s ASP 9 N -2.47 6.41 -0.23 2.55 2.15 -1.26 -4.95 116.67 118.88 3h1h s ASP 9 Ca 0.56 0.33 0.12 0.00 0.43 0.00 0.00 52.55 53.99 3h1h s ASP 9 Cb -0.12 -2.29 0.76 0.00 -0.30 0.00 0.00 42.92 40.97 3h1h s ASP 9 CO 0.51 -0.40 1.67 0.49 -0.17 0.00 0.00 175.17 177.27 3h1h n PHE 10 N 5.70 1.98 -0.03 -5.34 3.01 -1.26 -4.50 117.46 117.02 3h1h n PHE 10 Ca -0.03 -0.72 0.03 0.00 1.01 0.00 0.00 57.45 57.73 3h1h n PHE 10 Cb 0.49 -0.51 0.38 0.00 -0.01 0.00 0.00 39.48 39.84 3h1h n PHE 10 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3h1h h SER 11 N 3.57 0.53 -0.27 4.37 0.02 -1.95 0.29 113.55 120.11 3h1h h SER 11 Ca 0.03 -0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 3h1h h SER 11 Cb 1.92 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.31 3h1h h SER 11 CO 0.49 0.41 0.20 0.00 -1.14 0.00 0.00 176.83 176.79 3h1h h ALA 12 N 1.68 2.20 0.00 3.77 0.00 -2.03 -3.23 119.26 121.65 3h1h h ALA 12 Ca 0.16 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3h1h h ALA 12 Cb -0.02 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3h1h h ALA 12 CO -0.03 -0.34 -1.57 0.66 0.00 0.00 0.00 179.25 177.96 3h1h n TYR 13 N -4.35 0.00 -1.11 0.00 4.01 -0.47 -5.06 117.16 110.17 3h1h n TYR 13 Ca 0.04 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.41 3h1h n TYR 13 Cb 0.36 -0.41 0.05 0.00 -0.31 0.00 0.00 39.34 39.03 3h1h n TYR 13 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3h1h n ARG 14 N -2.31 0.05 -1.91 -0.72 1.74 0.90 -4.95 116.66 109.46 3h1h n ARG 14 Ca -0.14 0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.68 3h1h n ARG 14 Cb 0.77 -1.37 0.03 0.00 -1.02 0.00 0.00 32.46 30.87 3h1h n ARG 14 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h1h s ARG 15 N -2.21 3.20 0.17 5.56 0.52 -1.26 -4.94 118.95 119.98 3h1h s ARG 15 Ca 0.54 0.57 -0.19 0.00 -0.52 0.00 0.00 55.73 56.13 3h1h s ARG 15 Cb -0.31 -2.06 0.10 0.00 0.52 0.00 0.00 34.95 33.20 3h1h s ARG 15 CO 0.69 -0.81 1.64 1.49 0.02 0.00 0.00 175.30 178.34 3h1h h GLU 16 N -0.48 -0.11 0.00 3.54 4.81 -1.99 -2.80 114.58 117.56 3h1h h GLU 16 Ca -0.45 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 3h1h h GLU 16 Cb 1.22 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 3h1h h GLU 16 CO 0.63 -0.07 -0.12 -0.44 -0.73 0.00 0.00 179.01 178.27 3h1h h ASP 17 N -0.11 0.00 -0.93 1.04 3.32 -1.98 -2.80 116.42 114.96 3h1h h ASP 17 Ca 0.20 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.62 3h1h h ASP 17 Cb 0.41 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.61 3h1h h ASP 17 CO -0.47 0.12 0.11 1.33 -1.72 0.00 0.00 179.24 178.61 3h1h n VAL 18 N -4.19 3.13 -0.04 -1.35 0.24 -1.06 -4.53 118.33 110.53 3h1h n VAL 18 Ca -0.02 -3.57 -0.12 0.00 -2.04 0.00 0.00 64.34 58.58 3h1h n VAL 18 Cb 0.20 -1.16 -0.14 0.00 -1.47 0.00 0.00 33.84 31.27 3h1h n VAL 18 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3h1h n MET 19 N -0.81 0.67 -3.20 7.34 0.00 -1.06 -4.67 117.12 115.39 3h1h n MET 19 Ca 0.54 0.22 -0.42 0.00 0.00 0.00 0.00 57.70 58.04 3h1h n MET 19 Cb 0.78 -1.71 -0.08 0.00 0.00 0.00 0.00 33.22 32.22 3h1h n MET 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3h1h s ASP 20 N -6.19 6.31 0.00 6.12 2.15 -1.26 -4.94 116.67 118.86 3h1h s ASP 20 Ca -0.11 -0.19 0.02 0.00 0.43 0.00 0.00 52.55 52.70 3h1h s ASP 20 Cb 0.07 -2.28 0.13 0.00 -0.30 0.00 0.00 42.92 40.54 3h1h s ASP 20 CO 0.80 -0.59 0.44 0.00 -0.17 0.00 0.00 175.17 175.65 3h1h n ALA 21 N 5.90 1.64 -1.28 3.66 0.00 -1.26 -2.03 120.51 127.13 3h1h n ALA 21 Ca -0.04 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.46 3h1h n ALA 21 Cb 0.48 -1.03 0.10 0.00 0.00 0.00 0.00 19.45 19.00 3h1h n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h1h n THR 22 N -0.76 1.40 -4.85 0.00 -2.24 -1.26 -5.00 114.28 101.56 3h1h n THR 22 Ca 0.02 -1.68 -0.28 0.00 -2.27 0.00 0.00 64.05 59.83 3h1h n THR 22 Cb 0.01 -0.04 -0.17 0.00 -2.10 0.00 0.00 70.33 68.03 3h1h n THR 22 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3h1h s THR 23 N -2.13 1.58 0.03 4.28 2.01 -0.86 -5.09 115.64 115.47 3h1h s THR 23 Ca 0.23 -0.74 -0.35 0.00 0.31 0.00 0.00 61.69 61.15 3h1h s THR 23 Cb 0.21 -1.40 -0.14 0.00 0.01 0.00 0.00 72.50 71.17 3h1h s THR 23 CO 0.02 0.45 1.62 -0.24 -0.69 0.00 0.00 174.62 175.79 3h1h n SER 24 N 3.72 2.80 0.20 3.53 2.88 -1.26 -4.83 113.62 120.66 3h1h n SER 24 Ca -0.21 1.06 0.13 0.00 -1.33 0.00 0.00 58.87 58.52 3h1h n SER 24 Cb 0.52 -1.33 0.27 0.00 -0.75 0.00 0.00 64.21 62.92 3h1h n SER 24 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3h1h h SER 25 N 6.60 0.00 -0.37 -3.46 4.64 -1.93 -3.30 113.55 115.73 3h1h h SER 25 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 3h1h h SER 25 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 3h1h h SER 25 CO 0.89 0.00 0.20 1.56 -0.87 0.00 0.00 176.83 178.61 3h1h h GLN 26 N 0.00 0.55 -0.16 4.77 1.08 -1.99 -2.70 115.11 116.67 3h1h h GLN 26 Ca 0.00 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 3h1h h GLN 26 Cb 0.89 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 3h1h h GLN 26 CO 0.00 0.42 -0.05 1.79 -0.95 0.00 0.00 178.83 180.04 3h1h h THR 27 N 0.56 1.13 -0.14 -0.54 1.35 -1.97 -2.55 112.91 110.75 3h1h h THR 27 Ca 0.14 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3h1h h THR 27 Cb 0.04 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 3h1h h THR 27 CO -0.02 0.18 0.00 -1.54 -0.25 0.00 0.00 175.52 173.88 3h1h n SER 28 N -4.35 2.90 0.38 5.36 3.41 -1.04 -4.54 113.62 115.74 3h1h n SER 28 Ca -0.01 -1.93 -0.18 0.00 -0.26 0.00 0.00 58.87 56.49 3h1h n SER 28 Cb 0.20 -0.08 -0.09 0.00 -0.26 0.00 0.00 64.21 63.99 3h1h n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h1h h SER 29 N 4.26 -0.79 -0.86 4.04 4.64 -1.22 -1.88 113.55 121.74 3h1h h SER 29 Ca 0.00 0.02 0.25 0.00 -0.47 0.00 0.00 61.79 61.59 3h1h h SER 29 Cb 0.92 0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 3h1h h SER 29 CO 0.00 -0.55 0.62 -0.33 -0.87 0.00 0.00 176.83 175.70 3h1h h GLU 30 N -0.96 0.01 0.15 4.77 5.08 -1.80 -0.57 114.58 121.25 3h1h h GLU 30 Ca -0.10 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3h1h h GLU 30 Cb 0.72 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3h1h h GLU 30 CO 0.16 0.00 -0.07 -0.44 -1.00 0.00 0.00 179.01 177.66 3h1h h ASP 31 N 0.01 -0.17 -0.93 1.42 3.45 -1.78 0.15 116.42 118.57 3h1h h ASP 31 Ca 0.41 -0.37 0.11 0.00 0.43 0.00 0.00 57.03 57.61 3h1h h ASP 31 Cb 1.63 0.04 -0.07 0.00 -0.56 0.00 0.00 39.33 40.37 3h1h h ASP 31 CO -0.01 0.39 0.60 0.03 -1.57 0.00 0.00 179.24 178.68 3h1h h ARG 32 N -0.84 0.87 0.12 3.56 3.08 -0.40 0.28 114.38 121.03 3h1h h ARG 32 Ca -0.02 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.83 3h1h h ARG 32 Cb 0.53 -0.20 0.02 0.00 0.08 0.00 0.00 29.97 30.40 3h1h h ARG 32 CO 0.03 0.57 -0.67 0.87 -1.07 0.00 0.00 179.97 179.71 3h1h h LYS 33 N 0.89 0.25 -0.84 0.04 1.57 -1.24 -3.12 116.57 114.12 3h1h h LYS 33 Ca 0.45 -0.42 0.18 0.00 -1.87 0.00 0.00 60.65 58.99 3h1h h LYS 33 Cb 0.48 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 3h1h h LYS 33 CO -0.21 1.20 0.56 0.78 -0.57 0.00 0.00 179.45 181.21 3h1h h GLY 34 N -0.48 0.78 0.34 3.86 0.00 -0.21 0.18 103.07 107.54 3h1h h GLY 34 Ca -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3h1h h GLY 34 CO 0.13 0.02 -0.16 -2.75 0.00 0.00 0.00 176.54 173.78 3h1h h PHE 35 N 0.40 -0.42 -0.61 5.60 3.57 -1.02 -0.97 116.94 123.50 3h1h h PHE 35 Ca 0.43 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 62.05 3h1h h PHE 35 Cb 1.05 0.14 -0.11 0.00 2.79 0.00 0.00 35.95 39.82 3h1h h PHE 35 CO -0.00 -0.26 -0.03 0.77 -2.23 0.00 0.00 178.31 176.56 3h1h h SER 36 N -0.86 -0.34 -0.81 0.41 0.02 -1.43 0.20 113.55 110.74 3h1h h SER 36 Ca -0.05 0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3h1h h SER 36 Cb 0.35 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 3h1h h SER 36 CO 0.08 -0.14 0.41 1.88 -1.14 0.00 0.00 176.83 177.92 3h1h h TYR 37 N 0.09 1.15 -1.00 3.45 0.99 -0.75 -1.26 116.97 119.64 3h1h h TYR 37 Ca 0.32 -0.05 0.09 0.00 2.00 0.00 0.00 58.73 61.09 3h1h h TYR 37 Cb 0.51 -0.36 -0.07 0.00 1.00 0.00 0.00 36.73 37.81 3h1h h TYR 37 CO -0.39 0.83 0.64 1.25 -0.00 0.00 0.00 178.16 180.48 3h1h h LEU 38 N 1.14 0.98 0.10 3.88 5.85 0.74 0.50 115.31 128.51 3h1h h LEU 38 Ca 0.28 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 3h1h h LEU 38 Cb 0.09 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3h1h h LEU 38 CO -0.04 0.59 -0.05 0.58 -0.34 0.00 0.00 178.44 179.18 3h1h h VAL 39 N 1.09 0.99 0.22 1.05 2.07 -0.07 -2.44 116.25 119.16 3h1h h VAL 39 Ca 0.46 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 3h1h h VAL 39 Cb 0.31 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3h1h h VAL 39 CO -0.21 0.08 -0.18 0.74 0.02 0.00 0.00 177.57 178.02 3h1h h THR 40 N -0.28 0.61 -0.97 2.57 2.02 -0.21 -1.59 112.91 115.06 3h1h h THR 40 Ca -0.01 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.40 3h1h h THR 40 Cb 0.23 0.61 -0.08 0.00 -1.74 0.00 0.00 68.15 67.18 3h1h h THR 40 CO 0.02 0.00 0.64 0.00 0.37 0.00 0.00 175.52 176.55 3h1h h ALA 41 N 0.33 2.23 -0.15 6.16 0.00 -0.03 0.24 119.26 128.04 3h1h h ALA 41 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3h1h h ALA 41 Cb 0.37 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3h1h h ALA 41 CO -0.02 -0.57 -0.11 1.15 0.00 0.00 0.00 179.25 179.70 3h1h h THR 42 N 0.40 1.33 -0.93 0.00 2.02 -0.90 -2.42 112.91 112.41 3h1h h THR 42 Ca 0.52 -1.22 0.13 0.00 0.77 0.00 0.00 66.41 66.62 3h1h h THR 42 Cb 1.33 1.80 -0.07 0.00 -1.74 0.00 0.00 68.15 69.46 3h1h h THR 42 CO -0.22 0.36 0.59 0.00 0.37 0.00 0.00 175.52 176.62 3h1h h ALA 43 N 0.64 1.70 0.28 6.16 0.00 -0.02 0.51 119.26 128.52 3h1h h ALA 43 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3h1h h ALA 43 Cb 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3h1h h ALA 43 CO 0.03 0.07 -0.14 0.00 0.00 0.00 0.00 179.25 179.21 3h1h h VAL 45 N -0.51 0.62 0.41 0.00 2.07 -0.72 0.92 116.25 119.04 3h1h h VAL 45 Ca -0.04 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3h1h h VAL 45 Cb 0.38 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3h1h h VAL 45 CO 0.06 0.04 -0.22 0.00 0.02 0.00 0.00 177.57 177.47 3h1h h ALA 46 N 1.49 -0.58 -0.13 1.67 0.00 -0.78 -0.82 119.26 120.10 3h1h h ALA 46 Ca 0.32 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3h1h h ALA 46 Cb 0.48 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 3h1h h ALA 46 CO -0.42 -0.83 -0.18 1.15 0.00 0.00 0.00 179.25 178.97 3h1h h THR 47 N -0.59 0.54 -0.33 0.00 2.02 -0.10 -1.69 112.91 112.77 3h1h h THR 47 Ca -0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.20 3h1h h THR 47 Cb 0.47 0.54 -0.08 0.00 -1.74 0.00 0.00 68.15 67.33 3h1h h THR 47 CO 0.07 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.64 3h1h h ALA 48 N 0.80 -0.22 -0.11 6.16 0.00 0.11 0.24 119.26 126.24 3h1h h ALA 48 Ca 0.10 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3h1h h ALA 48 Cb 0.37 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3h1h h ALA 48 CO -0.26 -0.74 -0.31 -0.92 0.00 0.00 0.00 179.25 177.02 3h1h h TYR 49 N -0.28 -0.94 -0.60 0.00 3.20 -0.62 0.19 116.97 117.91 3h1h h TYR 49 Ca 0.15 0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.18 3h1h h TYR 49 Cb 0.53 0.43 -0.12 0.00 1.54 0.00 0.00 36.73 39.11 3h1h h TYR 49 CO -0.50 -0.31 -0.22 0.00 -1.64 0.00 0.00 178.16 175.50 3h1h h ALA 50 N -0.74 0.25 0.08 1.82 0.00 -0.60 -1.44 119.26 118.63 3h1h h ALA 50 Ca 0.02 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3h1h h ALA 50 Cb 0.38 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3h1h h ALA 50 CO -0.27 -0.51 -0.18 0.00 0.00 0.00 0.00 179.25 178.28 3h1h h ALA 51 N 1.40 -0.29 -0.67 0.00 0.00 -0.00 0.03 119.26 119.72 3h1h h ALA 51 Ca 0.27 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.30 3h1h h ALA 51 Cb 0.49 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 3h1h h ALA 51 CO -0.65 -0.70 0.17 -0.22 0.00 0.00 0.00 179.25 177.85 3h1h h LYS 52 N -0.34 0.28 0.55 0.00 3.11 0.22 0.76 116.57 121.16 3h1h h LYS 52 Ca 0.03 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.83 3h1h h LYS 52 Cb 0.37 -0.06 0.01 0.00 -1.00 0.00 0.00 32.23 31.54 3h1h h LYS 52 CO -0.11 0.19 -0.27 -0.91 -2.81 0.00 0.00 179.45 175.54 3h1h h ASN 53 N 0.29 -0.63 -0.90 4.20 2.35 -0.59 0.99 115.58 121.28 3h1h h ASN 53 Ca 0.37 -0.04 0.11 0.00 -0.55 0.00 0.00 56.30 56.19 3h1h h ASN 53 Cb 0.57 0.16 -0.07 0.00 0.05 0.00 0.00 38.32 39.04 3h1h h ASN 53 CO -0.44 -0.32 0.58 0.58 -1.65 0.00 0.00 177.43 176.18 3h1h h VAL 54 N -0.94 0.92 0.07 2.81 2.07 -0.56 0.51 116.25 121.12 3h1h h VAL 54 Ca -0.08 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3h1h h VAL 54 Cb 0.63 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3h1h h VAL 54 CO 0.12 0.15 -0.03 0.58 0.02 0.00 0.00 177.57 178.42 3h1h h VAL 55 N 0.84 1.19 -0.40 2.57 2.07 -0.79 -0.95 116.25 120.77 3h1h h VAL 55 Ca 0.43 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 67.11 3h1h h VAL 55 Cb 0.51 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.99 3h1h h VAL 55 CO -0.20 0.23 -0.14 0.74 0.02 0.00 0.00 177.57 178.22 3h1h h THR 56 N -0.51 0.51 0.25 2.57 2.02 0.40 0.41 112.91 118.56 3h1h h THR 56 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 3h1h h THR 56 Cb 0.44 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3h1h h THR 56 CO 0.02 0.00 -0.34 1.56 0.37 0.00 0.00 175.52 177.13 3h1h h GLN 57 N -0.06 -0.62 -0.16 6.66 4.20 0.02 -0.48 115.11 124.67 3h1h h GLN 57 Ca 0.20 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.97 3h1h h GLN 57 Cb 0.36 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3h1h h GLN 57 CO -0.45 -0.41 0.05 0.74 -0.67 0.00 0.00 178.83 178.09 3h1h h PHE 58 N -0.64 0.09 -0.49 2.96 0.05 -0.59 -1.89 116.94 116.42 3h1h h PHE 58 Ca 0.00 0.01 0.09 0.00 3.82 0.00 0.00 57.97 61.89 3h1h h PHE 58 Cb 0.62 -0.01 -0.08 0.00 2.00 0.00 0.00 35.95 38.47 3h1h h PHE 58 CO -0.24 0.04 0.03 0.82 -0.18 0.00 0.00 178.31 178.78 3h1h h ILE 59 N 0.12 0.64 0.00 -0.55 1.08 0.01 0.12 117.51 118.94 3h1h h ILE 59 Ca 0.07 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.49 3h1h h ILE 59 Cb 0.05 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 3h1h h ILE 59 CO -0.08 0.03 0.00 -1.54 -0.69 0.00 0.00 178.15 175.87 3h1h n SER 60 N -5.20 0.06 0.00 1.72 3.41 -0.21 -2.21 113.62 111.19 3h1h n SER 60 Ca 0.05 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.25 3h1h n SER 60 Cb 0.26 -0.53 0.40 0.00 -0.26 0.00 0.00 64.21 64.09 3h1h n SER 60 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h1h n SER 61 N -1.56 0.00 -0.01 4.04 3.41 0.42 -2.28 113.62 117.65 3h1h n SER 61 Ca 0.04 -0.06 0.08 0.00 -0.26 0.00 0.00 58.87 58.67 3h1h n SER 61 Cb 0.19 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.80 3h1h n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h1h n LEU 62 N -1.22 0.16 -4.85 1.04 4.77 -0.94 -4.99 117.00 110.97 3h1h n LEU 62 Ca 0.08 -0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.67 3h1h n LEU 62 Cb 0.11 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.32 3h1h n LEU 62 CO 0.11 0.04 0.76 -0.94 -1.33 0.00 0.00 177.39 176.03 3h1h s SER 63 N -3.70 3.83 -0.14 -1.43 1.04 -0.97 -4.91 113.70 107.42 3h1h s SER 63 Ca -0.04 0.79 -0.41 0.00 0.48 0.00 0.00 55.95 56.77 3h1h s SER 63 Cb 0.11 -1.26 -0.19 0.00 0.10 0.00 0.00 66.02 64.78 3h1h s SER 63 CO 0.71 -2.33 1.31 0.00 0.98 0.00 0.00 173.24 173.91 3h1h n ALA 64 N -3.60 -2.33 -1.69 5.32 0.00 -1.26 -4.96 120.51 112.00 3h1h n ALA 64 Ca 0.08 0.54 -0.30 0.00 0.00 0.00 0.00 53.44 53.77 3h1h n ALA 64 Cb 0.60 -1.89 0.07 0.00 0.00 0.00 0.00 19.45 18.23 3h1h n ALA 64 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h1h s SER 65 N 1.17 4.84 0.21 0.00 1.04 -1.26 -4.76 113.70 114.94 3h1h s SER 65 Ca 0.94 1.22 -0.12 0.00 0.48 0.00 0.00 55.95 58.47 3h1h s SER 65 Cb -1.26 -1.96 0.27 0.00 0.10 0.00 0.00 66.02 63.17 3h1h s SER 65 CO 0.63 -1.74 1.64 0.00 0.98 0.00 0.00 173.24 174.75 3h1h h ALA 66 N -0.93 0.51 0.00 5.32 0.00 -1.99 0.73 119.26 122.90 3h1h h ALA 66 Ca -0.46 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3h1h h ALA 66 Cb 1.27 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 3h1h h ALA 66 CO 0.61 -0.42 -0.02 0.38 0.00 0.00 0.00 179.25 179.80 3h1h h ASP 67 N 0.05 0.00 0.22 0.00 2.03 -1.99 -1.02 116.42 115.71 3h1h h ASP 67 Ca 0.32 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.32 3h1h h ASP 67 Cb 0.51 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.04 3h1h h ASP 67 CO -0.61 0.02 -1.35 0.58 -1.03 0.00 0.00 179.24 176.86 3h1h h VAL 68 N 0.00 1.29 0.00 4.15 2.07 -1.26 -3.21 116.25 119.30 3h1h h VAL 68 Ca -0.00 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 64.87 3h1h h VAL 68 Cb 0.04 3.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.86 3h1h h VAL 68 CO 0.00 0.79 -0.10 -0.07 0.02 0.00 0.00 177.57 178.22 3h1h h LEU 69 N 0.00 0.00 -2.42 2.57 3.38 -0.77 -1.26 115.31 116.82 3h1h h LEU 69 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3h1h h LEU 69 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 3h1h h LEU 69 CO 0.23 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.86 3h1h h ALA 70 N 1.90 1.00 -0.26 1.53 0.00 -1.19 -0.44 119.26 121.80 3h1h h ALA 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h1h h ALA 70 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3h1h h ALA 70 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 3h1h n LEU 71 N -3.04 2.66 0.01 0.00 4.77 -0.50 -4.70 117.00 116.20 3h1h n LEU 71 Ca -0.02 -1.85 -0.10 0.00 -0.03 0.00 0.00 56.01 54.02 3h1h n LEU 71 Cb 0.15 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3h1h n LEU 71 CO 0.22 0.65 0.77 -1.28 -1.33 0.00 0.00 177.39 176.42 3h1h h SER 72 N 1.80 -0.41 -4.49 -1.43 0.87 -0.80 -3.40 113.55 105.69 3h1h h SER 72 Ca 0.00 0.08 -0.34 0.00 -1.23 0.00 0.00 61.79 60.29 3h1h h SER 72 Cb 0.66 0.19 -0.23 0.00 -0.44 0.00 0.00 62.40 62.58 3h1h h SER 72 CO 0.00 -0.18 -0.76 -1.59 -0.53 0.00 0.00 176.83 173.78 3h1h s LYS 73 N -6.15 0.65 0.02 2.24 -2.85 -1.26 -4.82 119.74 107.56 3h1h s LYS 73 Ca -0.14 -0.70 0.07 0.00 -1.00 0.00 0.00 55.97 54.20 3h1h s LYS 73 Cb 0.10 -0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 35.30 3h1h s LYS 73 CO 0.67 0.12 -0.22 -1.50 0.10 0.00 0.00 175.35 174.53 3h1h s ILE 74 N -1.06 1.76 -0.28 3.79 2.07 -0.88 -5.00 121.20 121.60 3h1h s ILE 74 Ca -0.04 -1.10 -0.05 0.00 -1.41 0.00 0.00 60.65 58.04 3h1h s ILE 74 Cb -0.08 -1.49 0.01 0.00 0.13 0.00 0.00 42.46 41.02 3h1h s ILE 74 CO 0.01 0.36 0.04 -1.83 -1.91 0.00 0.00 174.94 171.61 3h1h s GLU 75 N -0.88 3.06 -0.17 3.50 -1.05 -1.26 -1.18 118.70 120.72 3h1h s GLU 75 Ca 0.09 -0.86 -0.08 0.00 -0.15 0.00 0.00 54.97 53.97 3h1h s GLU 75 Cb -0.09 -3.26 -0.04 0.00 -0.44 0.00 0.00 34.13 30.30 3h1h s GLU 75 CO 0.01 -0.41 0.09 0.42 0.95 0.00 0.00 175.26 176.32 3h1h s ILE 76 N 1.46 5.07 -0.56 1.83 1.01 0.26 -4.89 121.20 125.39 3h1h s ILE 76 Ca 0.02 0.06 -0.25 0.00 0.00 0.00 0.00 60.65 60.49 3h1h s ILE 76 Cb -0.17 -3.27 0.04 0.00 0.01 0.00 0.00 42.46 39.07 3h1h s ILE 76 CO 0.01 0.50 0.97 -0.75 0.00 0.00 0.00 174.94 175.66 3h1h s LYS 77 N -0.01 3.35 0.55 2.79 2.20 -1.26 -0.71 119.74 126.65 3h1h s LYS 77 Ca 0.08 -0.21 0.27 0.00 -0.36 0.00 0.00 55.97 55.74 3h1h s LYS 77 Cb -0.12 -4.05 1.46 0.00 -1.51 0.00 0.00 37.83 33.61 3h1h s LYS 77 CO 0.00 -1.51 2.00 -0.07 -0.36 0.00 0.00 175.35 175.41 3h1h h LEU 78 N 11.09 0.00 -2.38 5.43 3.38 -0.45 -1.12 115.31 131.25 3h1h h LEU 78 Ca -0.26 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.73 3h1h h LEU 78 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3h1h h LEU 78 CO 1.10 0.00 0.06 0.28 0.09 0.00 0.00 178.44 179.97 3h1h h SER 79 N 0.00 0.00 1.57 -0.43 0.02 -1.91 0.27 113.55 113.07 3h1h h SER 79 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3h1h h SER 79 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3h1h h SER 79 CO -0.00 0.00 0.00 -0.78 -1.14 0.00 0.00 176.83 174.91 3h1h h ASP 80 N 0.00 0.00 -3.62 3.07 1.82 -1.55 -3.42 116.42 112.71 3h1h h ASP 80 Ca 0.03 0.00 -0.70 0.00 -0.39 0.00 0.00 57.03 55.97 3h1h h ASP 80 Cb 0.14 0.00 -0.29 0.00 0.68 0.00 0.00 39.33 39.87 3h1h h ASP 80 CO -0.00 0.00 -0.58 -0.63 -1.61 0.00 0.00 179.24 176.42 3h1h s ILE 81 N -3.21 3.87 0.61 2.25 1.01 0.08 -5.10 121.20 120.71 3h1h s ILE 81 Ca 0.08 -1.21 -0.10 0.00 0.00 0.00 0.00 60.65 59.42 3h1h s ILE 81 Cb 0.09 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 3h1h s ILE 81 CO 0.60 -0.26 0.98 -2.16 0.00 0.00 0.00 174.94 174.10 3h1h s PRO 82 N 1.40 3.40 0.58 2.79 0.04 -1.26 -4.83 135.00 137.12 3h1h s PRO 82 Ca -0.00 0.53 -0.19 0.00 0.04 0.00 0.00 61.00 61.38 3h1h s PRO 82 Cb -0.20 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3h1h s PRO 82 CO 0.02 -0.59 1.20 -1.21 0.04 0.00 0.00 177.00 176.46 3h1h s GLU 83 N -5.11 3.07 0.00 4.56 2.02 -1.26 -3.17 118.70 118.80 3h1h s GLU 83 Ca 0.54 1.80 0.00 0.00 0.02 0.00 0.00 54.97 57.33 3h1h s GLU 83 Cb -0.11 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.16 3h1h s GLU 83 CO 0.51 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 175.08 3h1h n GLY 84 N 0.45 0.78 2.90 -1.39 0.00 0.69 -4.99 105.19 103.63 3h1h n GLY 84 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3h1h n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1h s LYS 85 N -0.13 0.96 -0.03 1.61 -0.14 -1.19 -5.04 119.74 115.77 3h1h s LYS 85 Ca 0.00 -0.13 -0.17 0.00 -1.36 0.00 0.00 55.97 54.31 3h1h s LYS 85 Cb 0.00 -0.97 -0.05 0.00 -1.68 0.00 0.00 37.83 35.13 3h1h s LYS 85 CO 0.00 -0.10 0.46 1.21 -0.76 0.00 0.00 175.35 176.16 3h1h s ASN 86 N 1.05 6.80 0.01 2.83 2.47 -1.26 -3.64 114.94 123.20 3h1h s ASN 86 Ca -0.09 0.96 0.06 0.00 0.42 0.00 0.00 52.86 54.21 3h1h s ASN 86 Cb -0.14 -2.28 -0.02 0.00 -1.45 0.00 0.00 41.25 37.36 3h1h s ASN 86 CO -0.01 0.20 -0.20 -0.69 -3.72 0.00 0.00 177.10 172.69 3h1h s VAL 87 N -0.46 1.58 -0.07 -5.21 1.01 -1.02 -5.00 120.40 111.23 3h1h s VAL 87 Ca 0.25 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3h1h s VAL 87 Cb -0.17 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 3h1h s VAL 87 CO 0.13 0.34 -0.22 0.00 0.00 0.00 0.00 175.10 175.35 3h1h s ALA 88 N -0.59 2.27 0.22 5.51 0.00 -1.26 -1.28 121.76 126.63 3h1h s ALA 88 Ca 0.07 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 51.12 3h1h s ALA 88 Cb -0.08 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 3h1h s ALA 88 CO 0.00 0.40 -0.18 -0.06 0.00 0.00 0.00 175.76 175.92 3h1h s PHE 89 N -0.11 1.98 -0.44 0.00 0.40 -0.37 -4.90 117.98 114.55 3h1h s PHE 89 Ca -0.04 -0.45 -0.24 0.00 -0.60 0.00 0.00 56.93 55.60 3h1h s PHE 89 Cb -0.14 -0.92 0.02 0.00 0.51 0.00 0.00 43.02 42.50 3h1h s PHE 89 CO 0.04 0.49 0.83 0.21 0.70 0.00 0.00 175.22 177.49 3h1h s LYS 90 N -3.32 3.49 -0.15 0.44 2.20 -1.26 0.19 119.74 121.33 3h1h s LYS 90 Ca 0.23 0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.87 3h1h s LYS 90 Cb -0.04 -3.92 0.04 0.00 -1.51 0.00 0.00 37.83 32.41 3h1h s LYS 90 CO 0.10 -1.11 -0.04 -0.46 -0.36 0.00 0.00 175.35 173.48 3h1h s TRP 91 N 3.41 1.47 -1.28 4.03 -0.00 -0.88 -4.82 118.94 120.86 3h1h s TRP 91 Ca 0.32 -0.91 -0.03 0.00 -0.00 0.00 0.00 56.10 55.48 3h1h s TRP 91 Cb -0.12 -1.21 0.01 0.00 -0.00 0.00 0.00 33.47 32.16 3h1h s TRP 91 CO 0.23 -0.57 1.00 0.54 -0.00 0.00 0.00 176.95 178.15 3h1h n ARG 92 N 4.94 -6.63 -0.53 5.86 1.74 -1.26 -2.42 116.66 118.36 3h1h n ARG 92 Ca -0.11 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 3h1h n ARG 92 Cb 0.48 -5.74 0.00 0.00 -1.02 0.00 0.00 32.46 26.18 3h1h n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h1h n GLY 93 N -1.46 0.54 3.19 -0.13 0.00 -1.26 -4.96 105.19 101.11 3h1h n GLY 93 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 3h1h n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1h s LYS 94 N -0.48 1.10 0.25 1.61 1.02 -1.02 -5.12 119.74 117.10 3h1h s LYS 94 Ca 0.00 -0.84 -0.31 0.00 0.02 0.00 0.00 55.97 54.84 3h1h s LYS 94 Cb 0.00 -1.16 -0.13 0.00 -0.52 0.00 0.00 37.83 36.02 3h1h s LYS 94 CO 0.00 0.29 1.36 -2.30 -0.92 0.00 0.00 175.35 173.78 3h1h n PRO 95 N 1.85 1.95 -4.06 -1.68 -0.02 -1.26 -2.07 135.00 129.71 3h1h n PRO 95 Ca -0.18 0.69 -0.33 0.00 -2.02 0.00 0.00 63.50 61.66 3h1h n PRO 95 Cb 0.54 -2.32 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 3h1h n PRO 95 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h1h s LEU 96 N 0.03 2.95 -0.20 2.45 2.96 0.13 0.25 118.68 127.25 3h1h s LEU 96 Ca 0.67 -1.01 -0.20 0.00 -0.22 0.00 0.00 54.13 53.37 3h1h s LEU 96 Cb -0.66 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 3h1h s LEU 96 CO 0.52 -0.11 0.60 -0.36 -1.32 0.00 0.00 176.35 175.68 3h1h s PHE 97 N 1.22 3.38 -0.30 5.38 0.08 0.21 -1.23 117.98 126.72 3h1h s PHE 97 Ca -0.02 0.90 0.00 0.00 0.12 0.00 0.00 56.93 57.93 3h1h s PHE 97 Cb -0.17 -2.77 0.09 0.00 -0.57 0.00 0.00 43.02 39.60 3h1h s PHE 97 CO -0.07 -0.15 0.06 0.08 -0.10 0.00 0.00 175.22 175.03 3h1h s VAL 98 N 1.83 1.30 -0.02 -0.44 1.01 -0.40 0.46 120.40 124.13 3h1h s VAL 98 Ca 0.28 -1.55 0.01 0.00 0.00 0.00 0.00 61.98 60.72 3h1h s VAL 98 Cb -0.16 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3h1h s VAL 98 CO 0.10 -0.54 -0.02 -0.60 0.00 0.00 0.00 175.10 174.04 3h1h s ARG 99 N 1.42 2.77 -0.58 2.72 3.52 0.04 -2.43 118.95 126.41 3h1h s ARG 99 Ca 0.07 -0.59 -0.17 0.00 -0.13 0.00 0.00 55.73 54.91 3h1h s ARG 99 Cb -0.18 -2.65 0.13 0.00 -1.56 0.00 0.00 34.95 30.69 3h1h s ARG 99 CO -0.17 0.64 0.58 -1.58 -0.81 0.00 0.00 175.30 173.95 3h1h s HIS 100 N -1.01 3.22 0.15 5.12 5.65 -1.24 -1.91 115.29 125.27 3h1h s HIS 100 Ca 0.17 -1.25 -0.27 0.00 0.25 0.00 0.00 55.06 53.96 3h1h s HIS 100 Cb -0.11 -3.86 -0.07 0.00 -1.18 0.00 0.00 32.58 27.35 3h1h s HIS 100 CO 0.07 -1.10 0.85 1.03 -0.65 0.00 0.00 174.74 174.95 3h1h s ARG 101 N 1.80 4.65 0.60 2.88 0.52 0.50 -0.22 118.95 129.68 3h1h s ARG 101 Ca 0.07 1.28 -0.09 0.00 -0.52 0.00 0.00 55.73 56.47 3h1h s ARG 101 Cb -0.27 -3.31 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 3h1h s ARG 101 CO 0.03 0.44 0.96 0.95 0.02 0.00 0.00 175.30 177.70 3h1h s THR 102 N -0.74 4.28 -0.68 0.02 -4.23 -1.26 -4.31 115.64 108.72 3h1h s THR 102 Ca 0.40 0.46 0.08 0.00 -1.18 0.00 0.00 61.69 61.45 3h1h s THR 102 Cb -0.23 -3.70 0.08 0.00 1.34 0.00 0.00 72.50 69.99 3h1h s THR 102 CO 0.28 -0.83 1.25 0.00 -0.54 0.00 0.00 174.62 174.78 3h1h n GLN 103 N -2.66 0.05 -0.02 3.99 1.13 -1.26 -2.15 117.38 116.47 3h1h n GLN 103 Ca 0.05 0.55 -0.16 0.00 -1.94 0.00 0.00 57.00 55.49 3h1h n GLN 103 Cb 0.56 -1.69 -0.13 0.00 0.11 0.00 0.00 30.24 29.09 3h1h n GLN 103 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h1h h ALA 104 N 1.97 -0.03 0.00 -1.58 0.00 -2.00 -3.26 119.26 114.36 3h1h h ALA 104 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3h1h h ALA 104 Cb 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3h1h h ALA 104 CO 0.00 0.16 -0.06 0.93 0.00 0.00 0.00 179.25 180.28 3h1h h GLU 105 N -0.68 0.00 0.00 0.00 5.08 -1.81 -2.45 114.58 114.72 3h1h h GLU 105 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3h1h h GLU 105 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3h1h h GLU 105 CO 0.07 0.06 -0.02 0.82 -1.00 0.00 0.00 179.01 178.94 3h1h h ILE 106 N 0.00 0.05 0.15 3.13 2.04 -1.60 -1.92 117.51 119.36 3h1h h ILE 106 Ca -0.00 -0.70 -0.32 0.00 1.00 0.00 0.00 64.86 64.83 3h1h h ILE 106 Cb 0.82 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3h1h h ILE 106 CO 0.01 0.02 -1.66 0.78 0.00 0.00 0.00 178.15 177.30 3h1h h ASN 107 N 0.00 0.49 0.17 1.72 2.35 -1.49 -3.12 115.58 115.70 3h1h h ASN 107 Ca -0.00 -0.90 -0.00 0.00 -0.55 0.00 0.00 56.30 54.84 3h1h h ASN 107 Cb 0.66 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 3h1h h ASN 107 CO 0.00 1.74 -0.02 -0.61 -1.65 0.00 0.00 177.43 176.89 3h1h h GLN 108 N -0.07 0.00 -0.01 0.81 5.75 -1.37 0.32 115.11 120.54 3h1h h GLN 108 Ca -0.34 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 57.99 3h1h h GLN 108 Cb 1.95 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.48 3h1h h GLN 108 CO 0.11 0.02 -0.74 1.49 -2.65 0.00 0.00 178.83 177.05 3h1h h GLU 109 N 0.00 0.11 0.00 1.69 4.57 -1.34 -3.19 114.58 116.41 3h1h h GLU 109 Ca -0.00 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 3h1h h GLU 109 Cb 0.11 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 3h1h h GLU 109 CO 0.00 0.80 -0.30 0.00 -1.18 0.00 0.00 179.01 178.33 3h1h h ALA 110 N 1.17 0.84 -0.15 2.92 0.00 -0.87 -3.09 119.26 120.07 3h1h h ALA 110 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3h1h h ALA 110 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3h1h h ALA 110 CO 0.11 0.37 0.00 -0.85 0.00 0.00 0.00 179.25 178.88 3h1h n GLU 111 N -3.21 1.76 -3.09 0.00 -0.00 -1.10 -4.82 120.64 110.17 3h1h n GLU 111 Ca 0.02 -0.72 -0.41 0.00 -0.00 0.00 0.00 57.16 56.05 3h1h n GLU 111 Cb 0.61 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 30.49 3h1h n GLU 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3h1h s VAL 112 N -1.54 4.94 -0.99 3.84 1.01 -1.17 -5.00 120.40 121.49 3h1h s VAL 112 Ca 0.13 1.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.93 3h1h s VAL 112 Cb 0.09 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 3h1h s VAL 112 CO 0.05 -0.06 1.73 -1.81 0.00 0.00 0.00 175.10 175.02 3h1h s ASP 113 N 1.54 5.78 0.59 3.32 1.01 -1.26 -4.87 116.67 122.78 3h1h s ASP 113 Ca 0.27 -1.16 0.32 0.00 0.71 0.00 0.00 52.55 52.69 3h1h s ASP 113 Cb -0.15 -2.57 1.25 0.00 1.01 0.00 0.00 42.92 42.46 3h1h s ASP 113 CO 0.10 -2.18 1.55 0.58 0.21 0.00 0.00 175.17 175.42 3h1h h VAL 114 N 6.90 0.13 -0.02 -1.27 2.07 -1.94 0.41 116.25 122.53 3h1h h VAL 114 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3h1h h VAL 114 Cb 0.99 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3h1h h VAL 114 CO 1.31 0.00 -0.02 -1.54 0.02 0.00 0.00 177.57 177.34 3h1h n SER 115 N -3.55 2.18 -1.73 0.57 3.41 -1.26 -4.20 113.62 109.03 3h1h n SER 115 Ca 0.23 -1.71 -0.16 0.00 -0.26 0.00 0.00 58.87 56.97 3h1h n SER 115 Cb 1.35 0.02 0.17 0.00 -0.26 0.00 0.00 64.21 65.49 3h1h n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h1h n LYS 116 N 0.67 2.20 -4.29 4.33 4.01 0.14 -4.99 118.16 120.23 3h1h n LYS 116 Ca 0.16 -3.22 -0.18 0.00 -0.51 0.00 0.00 58.31 54.56 3h1h n LYS 116 Cb 0.47 -2.03 -0.11 0.00 -0.51 0.00 0.00 35.03 32.85 3h1h n LYS 116 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3h1h s LEU 117 N -3.37 2.48 0.13 -0.35 1.43 -1.26 -5.00 118.68 112.75 3h1h s LEU 117 Ca 0.52 -0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 3h1h s LEU 117 Cb 0.45 -0.61 -0.07 0.00 0.03 0.00 0.00 46.19 45.98 3h1h s LEU 117 CO 0.04 -0.16 1.40 -0.09 0.23 0.00 0.00 176.35 177.76 3h1h h ARG 118 N 3.04 0.79 -3.69 1.70 2.43 -1.91 -3.36 114.38 113.38 3h1h h ARG 118 Ca -0.39 -0.54 -0.66 0.00 -0.81 0.00 0.00 59.98 57.58 3h1h h ARG 118 Cb 1.21 0.08 -0.39 0.00 -0.42 0.00 0.00 29.97 30.44 3h1h h ARG 118 CO 0.56 1.17 -0.59 0.34 -1.51 0.00 0.00 179.97 179.94 3h1h s ASP 119 N -6.99 4.60 -0.46 -3.80 2.15 -1.26 -4.99 116.67 105.91 3h1h s ASP 119 Ca -0.10 -2.80 -0.27 0.00 0.43 0.00 0.00 52.55 49.81 3h1h s ASP 119 Cb 0.10 -1.69 -0.08 0.00 -0.30 0.00 0.00 42.92 40.95 3h1h s ASP 119 CO 0.89 -0.30 2.39 -0.81 -0.17 0.00 0.00 175.17 177.17 3h1h n PRO 120 N 3.43 1.16 -3.64 4.34 -0.04 -1.26 -4.89 135.00 134.10 3h1h n PRO 120 Ca 0.05 0.12 -0.06 0.00 -0.04 0.00 0.00 63.50 63.57 3h1h n PRO 120 Cb 0.35 -3.22 -0.06 0.00 -0.04 0.00 0.00 33.50 30.53 3h1h n PRO 120 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3h1h s GLN 121 N 7.84 0.68 0.45 0.54 -0.21 -1.26 -5.11 119.66 122.59 3h1h s GLN 121 Ca 1.02 1.27 0.01 0.00 0.02 0.00 0.00 55.36 57.68 3h1h s GLN 121 Cb -0.32 0.27 -0.00 0.00 1.00 0.00 0.00 33.01 33.96 3h1h s GLN 121 CO 0.31 -0.16 0.66 -1.58 -2.12 0.00 0.00 175.29 172.40 3h1h s HIS 122 N 1.87 3.19 0.61 0.91 5.65 -1.26 -4.93 115.29 121.31 3h1h s HIS 122 Ca -0.09 0.18 0.28 0.00 0.25 0.00 0.00 55.06 55.67 3h1h s HIS 122 Cb -0.06 -2.32 1.40 0.00 -1.18 0.00 0.00 32.58 30.41 3h1h s HIS 122 CO -0.20 -0.37 1.81 0.22 -0.65 0.00 0.00 174.74 175.55 3h1h h ASP 123 N 0.41 0.00 0.14 9.88 3.58 -1.98 0.19 116.42 128.64 3h1h h ASP 123 Ca -0.46 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.99 3h1h h ASP 123 Cb 1.26 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 3h1h h ASP 123 CO 0.57 0.00 -0.10 -0.07 -2.88 0.00 0.00 179.24 176.75 3h1h h LEU 124 N 0.00 -0.27 0.00 2.28 3.38 -1.92 -2.44 115.31 116.34 3h1h h LEU 124 Ca 0.21 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3h1h h LEU 124 Cb 1.33 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3h1h h LEU 124 CO -0.00 -0.17 0.00 0.47 0.09 0.00 0.00 178.44 178.83 3h1h n ASP 125 N -5.22 0.00 0.00 -0.43 8.00 0.66 -4.56 116.55 115.00 3h1h n ASP 125 Ca -0.08 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.13 3h1h n ASP 125 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 3h1h n ASP 125 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h1h n ARG 126 N -0.53 0.00 -0.77 -1.24 1.74 -0.93 -4.95 116.66 109.97 3h1h n ARG 126 Ca 0.01 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.77 3h1h n ARG 126 Cb 0.01 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.58 3h1h n ARG 126 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3h1h n VAL 127 N 0.00 0.00 -0.05 1.55 0.24 -1.17 -4.98 118.33 113.91 3h1h n VAL 127 Ca 0.00 -0.16 -0.04 0.00 -2.04 0.00 0.00 64.34 62.10 3h1h n VAL 127 Cb 0.00 -0.69 -0.10 0.00 -1.47 0.00 0.00 33.84 31.58 3h1h n VAL 127 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3h1h n LYS 128 N -2.18 1.75 -3.86 7.34 5.02 -1.26 -4.87 118.16 120.10 3h1h n LYS 128 Ca 0.07 -0.03 -0.27 0.00 -2.02 0.00 0.00 58.31 56.07 3h1h n LYS 128 Cb 0.53 -1.31 -0.17 0.00 -0.02 0.00 0.00 35.03 34.07 3h1h n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3h1h s LYS 129 N -2.40 1.24 0.31 1.97 1.02 -1.26 -5.04 119.74 115.58 3h1h s LYS 129 Ca -0.06 -0.34 0.16 0.00 0.02 0.00 0.00 55.97 55.75 3h1h s LYS 129 Cb 0.04 -1.75 1.09 0.00 -0.52 0.00 0.00 37.83 36.70 3h1h s LYS 129 CO 0.50 -0.39 1.34 -2.30 -0.92 0.00 0.00 175.35 173.58 3h1h n PRO 130 N 4.95 -0.05 0.00 -1.68 -0.02 -1.26 0.90 135.00 137.84 3h1h n PRO 130 Ca -0.11 1.18 0.13 0.00 -2.02 0.00 0.00 63.50 62.68 3h1h n PRO 130 Cb 0.49 -2.09 0.58 0.00 -0.02 0.00 0.00 33.50 32.45 3h1h n PRO 130 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3h1h n GLU 131 N -4.94 0.05 -4.42 -0.52 0.00 -1.26 -4.67 120.64 104.88 3h1h n GLU 131 Ca 0.31 0.05 -0.30 0.00 0.00 0.00 0.00 57.16 57.21 3h1h n GLU 131 Cb 1.05 -1.50 -0.17 0.00 0.00 0.00 0.00 31.44 30.82 3h1h n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3h1h s TRP 132 N -2.94 2.26 -0.12 -1.84 0.23 0.26 -0.37 118.94 116.42 3h1h s TRP 132 Ca 0.14 -1.15 0.01 0.00 -2.03 0.00 0.00 56.10 53.08 3h1h s TRP 132 Cb 0.17 -1.60 0.02 0.00 0.03 0.00 0.00 33.47 32.09 3h1h s TRP 132 CO 0.47 -0.57 -0.14 0.54 0.96 0.00 0.00 176.95 178.21 3h1h s VAL 133 N 1.05 1.44 -0.19 4.03 0.11 -0.80 -4.35 120.40 121.69 3h1h s VAL 133 Ca -0.04 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 3h1h s VAL 133 Cb -0.15 -1.34 0.03 0.00 -1.53 0.00 0.00 36.38 33.39 3h1h s VAL 133 CO -0.04 0.43 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.38 3h1h s ILE 134 N 1.22 1.85 0.21 7.04 1.01 -1.26 -0.78 121.20 130.49 3h1h s ILE 134 Ca -0.02 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.72 3h1h s ILE 134 Cb -0.14 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 3h1h s ILE 134 CO -0.05 0.36 -0.05 -0.76 0.00 0.00 0.00 174.94 174.44 3h1h s LEU 135 N 1.34 2.37 -0.50 2.97 1.43 0.17 -4.42 118.68 122.04 3h1h s LEU 135 Ca 0.02 -1.13 -0.20 0.00 -1.03 0.00 0.00 54.13 51.78 3h1h s LEU 135 Cb -0.15 -0.38 0.05 0.00 0.03 0.00 0.00 46.19 45.74 3h1h s LEU 135 CO -0.10 -0.40 0.69 -0.69 0.23 0.00 0.00 176.35 176.07 3h1h s VAL 136 N -3.29 4.78 0.00 -1.59 1.01 0.22 0.64 120.40 122.16 3h1h s VAL 136 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3h1h s VAL 136 Cb 0.04 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3h1h s VAL 136 CO 0.06 -0.82 0.14 0.61 0.00 0.00 0.00 175.10 175.09 3h1h n GLY 137 N 5.14 0.49 3.09 4.51 0.00 0.14 -4.32 105.19 114.24 3h1h n GLY 137 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3h1h n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1h s VAL 138 N 1.69 1.60 0.42 1.61 1.01 -1.26 -4.11 120.40 121.37 3h1h s VAL 138 Ca 0.00 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 3h1h s VAL 138 Cb 0.00 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 3h1h s VAL 138 CO 0.00 0.46 1.32 0.00 0.00 0.00 0.00 175.10 176.88 3h1h n THR 140 N -0.02 0.54 0.00 0.00 -2.24 -1.26 -3.71 114.28 107.59 3h1h n THR 140 Ca 0.04 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3h1h n THR 140 Cb 0.44 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 3h1h n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3h1h n HIS 141 N -1.97 0.00 -3.15 4.78 -0.00 -1.26 -4.54 115.22 109.08 3h1h n HIS 141 Ca 0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.56 3h1h n HIS 141 Cb 0.33 -0.18 -0.06 0.00 -0.00 0.00 0.00 29.99 30.08 3h1h n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3h1h n LEU 142 N -1.05 -0.66 -1.68 0.27 4.77 -1.26 -4.99 117.00 112.40 3h1h n LEU 142 Ca 0.00 -4.30 -0.05 0.00 -0.03 0.00 0.00 56.01 51.63 3h1h n LEU 142 Cb 0.00 0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 41.73 3h1h n LEU 142 CO 0.00 2.00 -0.05 0.61 -1.33 0.00 0.00 177.39 178.62 3h1h n GLY 143 N 1.89 0.08 3.92 -0.72 0.00 -1.24 -4.98 105.19 104.14 3h1h n GLY 143 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3h1h n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1h s VAL 145 N -2.32 5.25 1.25 0.00 1.01 -1.26 0.50 120.40 124.83 3h1h s VAL 145 Ca 0.43 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.38 3h1h s VAL 145 Cb -0.10 -3.66 0.28 0.00 0.00 0.00 0.00 36.38 32.90 3h1h s VAL 145 CO 0.36 0.11 0.72 -2.65 0.00 0.00 0.00 175.10 173.63 3h1h n PRO 146 N 5.19 -3.12 -3.93 2.72 -0.02 -1.26 -4.77 135.00 129.83 3h1h n PRO 146 Ca -0.12 -0.90 -0.29 0.00 -2.02 0.00 0.00 63.50 60.17 3h1h n PRO 146 Cb 0.51 -1.94 -0.16 0.00 -0.02 0.00 0.00 33.50 31.89 3h1h n PRO 146 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h1h s ILE 147 N -2.25 1.29 0.65 4.25 1.01 0.03 -4.89 121.20 121.29 3h1h s ILE 147 Ca 0.63 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 3h1h s ILE 147 Cb -0.17 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 3h1h s ILE 147 CO 0.60 0.14 1.05 0.00 0.00 0.00 0.00 174.94 176.73 3h1h s ALA 148 N 1.55 3.01 -1.01 9.38 0.00 -1.26 -0.33 121.76 133.10 3h1h s ALA 148 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3h1h s ALA 148 Cb -0.16 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3h1h s ALA 148 CO -0.08 -0.84 0.00 0.09 0.00 0.00 0.00 175.76 174.93 3h1h n ASN 149 N -2.84 -3.78 -2.65 0.00 3.02 -0.34 -4.93 115.26 103.74 3h1h n ASN 149 Ca 0.06 0.01 -0.11 0.00 -0.03 0.00 0.00 54.58 54.51 3h1h n ASN 149 Cb 0.54 -2.96 -0.01 0.00 -0.61 0.00 0.00 39.78 36.75 3h1h n ASN 149 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3h1h n SER 150 N -0.20 -1.45 0.00 6.41 3.41 -1.16 -4.97 113.62 115.67 3h1h n SER 150 Ca -0.14 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 3h1h n SER 150 Cb 0.59 2.57 0.00 0.00 -0.26 0.00 0.00 64.21 67.11 3h1h n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h1h n GLY 151 N -0.48 -2.82 0.15 5.00 0.00 -1.26 -3.40 105.19 102.37 3h1h n GLY 151 Ca -0.02 -1.89 0.15 0.00 0.00 0.00 0.00 46.02 44.26 3h1h n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1h n ASP 152 N -0.02 0.46 -1.32 1.61 9.92 -1.26 -3.79 116.55 122.15 3h1h n ASP 152 Ca 0.00 -1.09 0.04 0.00 -0.53 0.00 0.00 54.79 53.20 3h1h n ASP 152 Cb 0.00 -0.01 0.08 0.00 -0.64 0.00 0.00 41.12 40.55 3h1h n ASP 152 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3h1h n PHE 153 N -0.67 0.14 -0.22 1.24 3.01 -1.26 -4.98 117.46 114.72 3h1h n PHE 153 Ca 0.22 -0.92 0.00 0.00 1.01 0.00 0.00 57.45 57.75 3h1h n PHE 153 Cb 0.19 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 3h1h n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h1h n GLY 154 N -0.06 0.00 0.00 1.37 0.00 -1.25 -3.86 105.19 101.39 3h1h n GLY 154 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3h1h n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1h n GLY 155 N -0.68 1.32 3.31 -0.02 0.00 -1.14 -4.14 105.19 103.84 3h1h n GLY 155 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3h1h n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1h s TYR 156 N 0.57 1.70 -0.08 1.61 1.51 0.13 -1.20 117.35 121.60 3h1h s TYR 156 Ca 0.00 -0.51 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 3h1h s TYR 156 Cb 0.00 -0.85 0.03 0.00 -0.11 0.00 0.00 41.96 41.03 3h1h s TYR 156 CO 0.00 0.29 -0.02 -0.47 -1.11 0.00 0.00 175.55 174.24 3h1h s TYR 157 N -2.22 0.87 -0.47 2.71 5.04 0.55 -0.35 117.35 123.48 3h1h s TYR 157 Ca 0.15 -0.31 -0.21 0.00 -2.44 0.00 0.00 57.07 54.26 3h1h s TYR 157 Cb -0.05 -0.89 0.04 0.00 0.35 0.00 0.00 41.96 41.41 3h1h s TYR 157 CO 0.06 -0.36 0.70 0.00 -1.34 0.00 0.00 175.55 174.61 3h1h n PRO 159 N 6.49 0.29 0.01 0.00 -0.04 -1.26 -2.13 135.00 138.36 3h1h n PRO 159 Ca -0.02 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 3h1h n PRO 159 Cb 0.47 -1.31 -0.14 0.00 -0.04 0.00 0.00 33.50 32.48 3h1h n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1h n HIS 161 N -4.06 0.00 0.00 0.00 8.25 -1.22 -5.08 115.22 113.11 3h1h n HIS 161 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3h1h n HIS 161 Cb 0.84 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.97 3h1h n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h1h n GLY 162 N 0.00 2.80 0.00 -1.41 0.00 -0.91 -4.69 105.19 100.98 3h1h n GLY 162 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3h1h n GLY 162 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h1h n SER 163 N 0.25 0.00 -4.69 1.61 7.64 -1.24 -3.91 113.62 113.28 3h1h n SER 163 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 3h1h n SER 163 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 3h1h n SER 163 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3h1h s HIS 164 N 0.00 3.31 -0.02 1.43 0.09 0.14 -1.94 115.29 118.31 3h1h s HIS 164 Ca 0.00 0.19 0.08 0.00 -0.00 0.00 0.00 55.06 55.32 3h1h s HIS 164 Cb 0.00 -2.04 -0.02 0.00 -0.00 0.00 0.00 32.58 30.52 3h1h s HIS 164 CO 0.00 0.29 -0.24 0.71 -0.00 0.00 0.00 174.74 175.50 3h1h s TYR 165 N 0.04 2.18 0.01 1.40 1.51 0.53 0.41 117.35 123.42 3h1h s TYR 165 Ca 0.06 -0.41 -0.00 0.00 -1.01 0.00 0.00 57.07 55.71 3h1h s TYR 165 Cb -0.12 -1.40 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 3h1h s TYR 165 CO 0.01 -0.03 0.01 -0.40 -1.11 0.00 0.00 175.55 174.02 3h1h n ASP 166 N 2.44 -0.71 0.23 2.29 5.68 -0.46 0.23 116.55 126.25 3h1h n ASP 166 Ca -0.16 -0.65 0.09 0.00 -0.50 0.00 0.00 54.79 53.57 3h1h n ASP 166 Cb 0.52 -0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.04 3h1h n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h1h h ALA 167 N -2.00 1.25 -0.02 2.12 0.00 -1.85 -2.17 119.26 116.58 3h1h h ALA 167 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h1h h ALA 167 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3h1h h ALA 167 CO 0.00 0.28 0.00 0.45 0.00 0.00 0.00 179.25 179.98 3h1h n SER 168 N -3.72 2.16 -1.28 0.00 2.88 -1.26 -4.97 113.62 107.44 3h1h n SER 168 Ca -0.01 -1.72 -0.00 0.00 -1.33 0.00 0.00 58.87 55.80 3h1h n SER 168 Cb 0.33 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 3h1h n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h1h n GLY 169 N 1.25 0.63 3.17 0.46 0.00 -0.81 -4.99 105.19 104.90 3h1h n GLY 169 Ca 0.17 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 3h1h n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1h s ARG 170 N -3.56 1.67 0.16 1.61 0.52 -1.26 -2.80 118.95 115.29 3h1h s ARG 170 Ca 0.00 -0.65 -0.31 0.00 -0.52 0.00 0.00 55.73 54.25 3h1h s ARG 170 Cb -0.00 -1.53 -0.10 0.00 0.52 0.00 0.00 34.95 33.84 3h1h s ARG 170 CO 0.02 0.34 1.56 -1.50 0.02 0.00 0.00 175.30 175.73 3h1h s ILE 171 N -0.23 2.68 0.00 1.52 1.10 -1.26 -1.35 121.20 123.67 3h1h s ILE 171 Ca 0.02 0.48 0.00 0.00 -0.51 0.00 0.00 60.65 60.64 3h1h s ILE 171 Cb -0.09 -3.31 0.00 0.00 0.15 0.00 0.00 42.46 39.21 3h1h s ILE 171 CO 0.01 0.04 0.00 0.54 -2.11 0.00 0.00 174.94 173.41 3h1h n ARG 172 N 4.03 0.00 -3.83 3.50 5.12 0.16 -4.54 116.66 121.11 3h1h n ARG 172 Ca 0.14 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.70 3h1h n ARG 172 Cb 0.39 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.57 3h1h n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3h1h s LYS 173 N 0.00 3.79 0.00 5.56 2.20 -1.24 -4.92 119.74 125.13 3h1h s LYS 173 Ca 0.00 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 3h1h s LYS 173 Cb 0.00 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 3h1h s LYS 173 CO 0.00 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 3h1h n GLY 174 N 4.49 0.95 0.17 5.54 0.00 -1.26 0.23 105.19 115.31 3h1h n GLY 174 Ca -0.16 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.08 3h1h n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1h h PRO 175 N 0.00 0.00 -6.32 1.61 0.13 -1.95 -3.47 132.00 122.01 3h1h h PRO 175 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 3h1h h PRO 175 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 3h1h h PRO 175 CO 0.00 0.00 0.83 0.00 -0.23 0.00 0.00 178.00 178.60 3h1h n ALA 176 N -1.94 0.40 0.07 -0.56 0.00 -1.26 -4.91 120.51 112.31 3h1h n ALA 176 Ca 0.04 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.77 3h1h n ALA 176 Cb 0.43 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 3h1h n ALA 176 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3h1h h PRO 177 N 6.83 0.34 0.00 0.00 0.13 -1.91 -3.48 132.00 133.91 3h1h h PRO 177 Ca -0.47 -0.35 -0.14 0.00 -0.87 0.00 0.00 66.00 64.18 3h1h h PRO 177 Cb 1.29 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 3h1h h PRO 177 CO 0.90 1.03 -0.10 0.66 -0.23 0.00 0.00 178.00 180.25 3h1h n TYR 178 N -3.73 0.25 -4.33 1.56 4.02 -1.26 -4.42 117.16 109.24 3h1h n TYR 178 Ca -0.05 -0.52 -0.32 0.00 -0.01 0.00 0.00 57.90 56.99 3h1h n TYR 178 Cb 0.80 -0.07 -0.09 0.00 -0.02 0.00 0.00 39.34 39.96 3h1h n TYR 178 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3h1h s ASN 179 N -1.58 4.91 0.04 7.72 0.01 -1.26 -4.08 114.94 120.70 3h1h s ASN 179 Ca 0.00 -0.08 -0.29 0.00 -0.71 0.00 0.00 52.86 51.78 3h1h s ASN 179 Cb 0.00 -1.22 -0.15 0.00 0.41 0.00 0.00 41.25 40.29 3h1h s ASN 179 CO 0.00 0.27 0.73 0.18 -1.51 0.00 0.00 177.10 176.77 3h1h n LEU 180 N 1.36 -0.26 -4.77 0.60 4.77 -1.12 -4.80 117.00 112.79 3h1h n LEU 180 Ca -0.14 0.90 -0.39 0.00 -0.03 0.00 0.00 56.01 56.35 3h1h n LEU 180 Cb 0.53 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3h1h n LEU 180 CO 0.33 -1.72 0.97 -0.70 -1.33 0.00 0.00 177.39 174.94 3h1h s GLU 181 N -0.20 3.84 -0.37 3.23 2.12 -1.26 -4.82 118.70 121.25 3h1h s GLU 181 Ca 0.66 2.17 -0.06 0.00 0.36 0.00 0.00 54.97 58.10 3h1h s GLU 181 Cb -0.93 -2.67 0.06 0.00 0.26 0.00 0.00 34.13 30.85 3h1h s GLU 181 CO 0.45 -0.60 0.15 0.08 -0.54 0.00 0.00 175.26 174.80 3h1h s VAL 182 N -1.28 3.71 0.83 3.70 1.01 -1.26 -0.61 120.40 126.50 3h1h s VAL 182 Ca 0.59 -1.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 3h1h s VAL 182 Cb -0.38 -3.23 0.09 0.00 0.00 0.00 0.00 36.38 32.86 3h1h s VAL 182 CO 0.49 -0.35 1.09 -2.16 0.00 0.00 0.00 175.10 174.17 3h1h s PRO 183 N 1.34 1.81 0.48 2.72 0.04 -1.26 -5.01 135.00 135.12 3h1h s PRO 183 Ca 0.01 0.90 -0.23 0.00 0.04 0.00 0.00 61.00 61.72 3h1h s PRO 183 Cb -0.21 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 3h1h s PRO 183 CO 0.01 -1.88 1.24 0.99 0.04 0.00 0.00 177.00 177.41 3h1h s THR 184 N -2.97 2.72 0.00 1.26 2.01 -1.26 -4.90 115.64 112.50 3h1h s THR 184 Ca 0.62 0.55 0.00 0.00 0.31 0.00 0.00 61.69 63.17 3h1h s THR 184 Cb -0.17 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.06 3h1h s THR 184 CO 0.56 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.49 3h1h n TYR 185 N -0.58 -0.01 -2.74 4.92 -0.00 -1.26 -0.24 117.16 117.25 3h1h n TYR 185 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 3h1h n TYR 185 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.80 3h1h n TYR 185 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3h1h n GLN 186 N 0.00 -1.98 -4.38 -3.48 10.64 -1.25 -4.96 117.38 111.98 3h1h n GLN 186 Ca 0.00 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.95 3h1h n GLN 186 Cb 0.00 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.27 3h1h n GLN 186 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3h1h s PHE 187 N -2.77 1.95 0.00 2.61 0.08 -1.26 -2.21 117.98 116.38 3h1h s PHE 187 Ca 0.00 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.60 3h1h s PHE 187 Cb 0.00 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.53 3h1h s PHE 187 CO 0.00 0.44 0.00 1.33 -0.10 0.00 0.00 175.22 176.89 3h1h n VAL 188 N -0.09 0.00 -4.02 -0.44 0.24 -0.44 -4.92 118.33 108.65 3h1h n VAL 188 Ca -0.10 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 3h1h n VAL 188 Cb 0.58 -0.10 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 3h1h n VAL 188 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h1h n GLY 189 N 1.66 2.49 1.22 7.63 0.00 -1.22 -4.97 105.19 112.00 3h1h n GLY 189 Ca 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 46.02 44.34 3h1h n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h1h n ASP 190 N -1.77 3.16 0.00 1.61 5.75 -1.26 -3.50 116.55 120.54 3h1h n ASP 190 Ca 0.02 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.51 3h1h n ASP 190 Cb 0.48 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 3h1h n ASP 190 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3h1h n ASP 191 N 0.22 0.00 -4.01 -1.12 5.75 -1.26 -4.89 116.55 111.24 3h1h n ASP 191 Ca 0.11 -0.47 -0.24 0.00 -0.01 0.00 0.00 54.79 54.17 3h1h n ASP 191 Cb 0.71 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.63 3h1h n ASP 191 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3h1h s LEU 192 N 0.00 1.60 -0.03 -2.12 1.43 -1.23 0.37 118.68 118.71 3h1h s LEU 192 Ca 0.00 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 3h1h s LEU 192 Cb 0.00 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.40 3h1h s LEU 192 CO 0.00 0.02 -0.22 0.54 0.23 0.00 0.00 176.35 176.92 3h1h s VAL 193 N 0.73 1.79 -0.50 -1.59 0.11 0.11 -1.33 120.40 119.71 3h1h s VAL 193 Ca -0.13 -0.95 0.04 0.00 -2.93 0.00 0.00 61.98 58.00 3h1h s VAL 193 Cb -0.16 -1.50 0.13 0.00 -1.53 0.00 0.00 36.38 33.33 3h1h s VAL 193 CO 0.03 0.50 0.25 -0.69 -3.33 0.00 0.00 175.10 171.87 3h1h s VAL 194 N -0.37 2.38 0.37 2.04 1.01 -0.94 0.91 120.40 125.81 3h1h s VAL 194 Ca 0.04 -3.18 -0.26 0.00 0.00 0.00 0.00 61.98 58.58 3h1h s VAL 194 Cb -0.10 -2.66 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 3h1h s VAL 194 CO 0.01 -0.81 1.16 -0.69 0.00 0.00 0.00 175.10 174.76 3h1h s VAL 195 N -0.17 3.22 0.00 2.92 1.01 -0.33 -3.80 120.40 123.25 3h1h s VAL 195 Ca 0.17 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.22 3h1h s VAL 195 Cb -0.26 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3h1h s VAL 195 CO -0.00 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.85