#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1k n TYR 4 N 0.00 0.00 -0.34 4.78 9.36 -1.26 -0.82 117.16 128.88 3h1k n TYR 4 Ca 0.00 0.00 0.26 0.00 3.32 0.00 0.00 57.90 61.48 3h1k n TYR 4 Cb 0.00 0.00 0.41 0.00 -0.63 0.00 0.00 39.34 39.12 3h1k n TYR 4 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h1k n ALA 5 N -0.65 0.93 -0.12 2.98 0.00 -1.26 0.01 120.51 122.40 3h1k n ALA 5 Ca 0.00 0.36 -0.26 0.00 0.00 0.00 0.00 53.44 53.54 3h1k n ALA 5 Cb 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 19.45 18.76 3h1k n ALA 5 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h1k n GLN 6 N -3.12 0.58 0.13 0.00 6.02 0.00 -4.34 117.38 116.66 3h1k n GLN 6 Ca 0.23 0.39 0.18 0.00 -0.01 0.00 0.00 57.00 57.78 3h1k n GLN 6 Cb 1.00 -1.60 0.60 0.00 1.02 0.00 0.00 30.24 31.26 3h1k n GLN 6 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3h1k h THR 7 N -0.96 0.14 0.00 5.09 1.35 0.17 0.21 112.91 118.92 3h1k h THR 7 Ca -0.55 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.20 3h1k h THR 7 Cb 1.50 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 3h1k h THR 7 CO -0.32 0.00 -0.52 -0.07 -0.25 0.00 0.00 175.52 174.36 3h1k h LEU 8 N 0.00 0.00 0.21 3.87 3.38 -1.68 -3.27 115.31 117.83 3h1k h LEU 8 Ca 0.17 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.80 3h1k h LEU 8 Cb 1.47 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.25 3h1k h LEU 8 CO -0.00 0.52 -1.64 1.56 0.09 0.00 0.00 178.44 178.97 3h1k h GLN 9 N 0.00 0.45 0.00 1.13 4.20 -0.81 -3.32 115.11 116.76 3h1k h GLN 9 Ca -0.01 -0.77 0.00 0.00 0.06 0.00 0.00 58.65 57.93 3h1k h GLN 9 Cb 1.00 0.29 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3h1k h GLN 9 CO 0.07 1.37 0.00 -0.91 -0.67 0.00 0.00 178.83 178.68 3h1k h ASN 10 N 0.12 0.00 -2.27 1.46 4.21 -1.59 -3.41 115.58 114.10 3h1k h ASN 10 Ca -0.31 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.65 3h1k h ASN 10 Cb 2.13 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 39.33 3h1k h ASN 10 CO 0.22 0.00 1.33 -0.63 -1.29 0.00 0.00 177.43 177.05 3h1k s ILE 11 N -4.04 3.10 -0.19 2.81 1.01 -1.23 -4.84 121.20 117.82 3h1k s ILE 11 Ca -0.04 0.12 -0.39 0.00 0.00 0.00 0.00 60.65 60.34 3h1k s ILE 11 Cb 0.12 -3.10 -0.15 0.00 0.01 0.00 0.00 42.46 39.33 3h1k s ILE 11 CO 0.38 -0.04 1.71 -0.81 0.00 0.00 0.00 174.94 176.18 3h1k n PRO 12 N 8.05 1.34 -1.56 2.79 -0.04 -1.26 -4.90 135.00 139.42 3h1k n PRO 12 Ca 0.24 0.49 -0.39 0.00 -0.04 0.00 0.00 63.50 63.80 3h1k n PRO 12 Cb 0.43 -2.20 0.04 0.00 -0.04 0.00 0.00 33.50 31.73 3h1k n PRO 12 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3h1k n GLU 13 N 5.15 0.84 -3.18 0.54 4.07 -1.26 -4.87 120.64 121.94 3h1k n GLU 13 Ca 0.25 0.32 -0.39 0.00 -0.06 0.00 0.00 57.16 57.28 3h1k n GLU 13 Cb 0.17 -1.95 -0.05 0.00 -0.06 0.00 0.00 31.44 29.54 3h1k n GLU 13 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 3h1k s THR 14 N -1.53 5.11 0.10 6.31 2.01 -1.26 -4.82 115.64 121.56 3h1k s THR 14 Ca 0.70 1.19 -0.27 0.00 0.31 0.00 0.00 61.69 63.63 3h1k s THR 14 Cb -0.46 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.05 3h1k s THR 14 CO 0.52 0.27 0.83 0.20 -0.69 0.00 0.00 174.62 175.74 3h1k s ASN 15 N 0.77 7.35 -0.03 3.53 0.01 -0.63 -4.89 114.94 121.05 3h1k s ASN 15 Ca 0.31 1.61 -0.01 0.00 -0.71 0.00 0.00 52.86 54.07 3h1k s ASN 15 Cb -0.16 -2.51 0.03 0.00 0.41 0.00 0.00 41.25 39.01 3h1k s ASN 15 CO 0.14 0.06 0.05 -0.69 -1.51 0.00 0.00 177.10 175.14 3h1k s VAL 16 N -0.40 -0.08 -0.08 1.60 1.01 -1.26 -2.11 120.40 119.07 3h1k s VAL 16 Ca 0.40 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 3h1k s VAL 16 Cb -0.22 -0.12 0.04 0.00 0.00 0.00 0.00 36.38 36.08 3h1k s VAL 16 CO 0.26 0.13 0.18 0.42 0.00 0.00 0.00 175.10 176.09 3h1k s THR 17 N 1.57 -0.05 0.17 3.92 -4.23 -0.84 -5.02 115.64 111.16 3h1k s THR 17 Ca -0.03 0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.54 3h1k s THR 17 Cb -0.13 -0.29 -0.07 0.00 1.34 0.00 0.00 72.50 73.35 3h1k s THR 17 CO -0.03 0.07 0.51 -0.89 -0.54 0.00 0.00 174.62 173.74 3h1k s THR 18 N 1.23 4.95 -0.04 3.99 2.01 -1.26 -1.79 115.64 124.72 3h1k s THR 18 Ca -0.09 0.56 -0.21 0.00 0.31 0.00 0.00 61.69 62.26 3h1k s THR 18 Cb -0.11 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 3h1k s THR 18 CO -0.07 0.11 0.60 -0.76 -0.69 0.00 0.00 174.62 173.81 3h1k s LEU 19 N -2.35 4.36 0.00 4.42 1.43 0.83 -4.92 118.68 122.46 3h1k s LEU 19 Ca 0.41 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 3h1k s LEU 19 Cb -0.13 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.17 3h1k s LEU 19 CO 0.20 0.02 0.06 0.47 0.23 0.00 0.00 176.35 177.33 3h1k n ASP 20 N 3.21 0.00 -0.30 2.29 8.00 -1.26 -0.55 116.55 127.94 3h1k n ASP 20 Ca -0.05 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.48 3h1k n ASP 20 Cb 0.51 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.69 3h1k n ASP 20 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3h1k n ASN 21 N -0.40 2.46 0.00 -2.24 6.94 -1.26 -4.84 115.26 115.92 3h1k n ASN 21 Ca 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 3h1k n ASN 21 Cb 0.00 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 3h1k n ASN 21 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h1k n GLY 22 N -0.11 3.12 3.72 4.83 0.00 0.29 -4.45 105.19 112.59 3h1k n GLY 22 Ca 0.06 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 3h1k n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h1k s LEU 23 N 0.00 2.84 0.10 0.99 0.20 -1.15 -3.35 118.68 118.31 3h1k s LEU 23 Ca 0.00 1.94 0.04 0.00 0.69 0.00 0.00 54.13 56.80 3h1k s LEU 23 Cb 0.00 -4.46 -0.03 0.00 -0.43 0.00 0.00 46.19 41.26 3h1k s LEU 23 CO 0.00 -2.57 -0.12 -0.13 -0.29 0.00 0.00 176.35 173.24 3h1k s ARG 24 N -4.79 0.88 -0.02 1.98 0.52 -1.19 -0.12 118.95 116.21 3h1k s ARG 24 Ca 0.64 -1.14 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 3h1k s ARG 24 Cb -0.20 -0.67 0.00 0.00 0.52 0.00 0.00 34.95 34.61 3h1k s ARG 24 CO 0.57 0.12 -0.07 0.08 0.02 0.00 0.00 175.30 176.02 3h1k s VAL 25 N -2.16 0.62 0.02 3.52 1.01 -0.74 -0.80 120.40 121.87 3h1k s VAL 25 Ca 0.05 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 3h1k s VAL 25 Cb -0.05 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 3h1k s VAL 25 CO 0.01 0.20 0.11 0.00 0.00 0.00 0.00 175.10 175.42 3h1k s ALA 26 N 0.17 -0.20 -0.02 5.51 0.00 0.07 -1.99 121.76 125.30 3h1k s ALA 26 Ca -0.02 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.33 3h1k s ALA 26 Cb -0.07 0.17 0.10 0.00 0.00 0.00 0.00 23.12 23.32 3h1k s ALA 26 CO 0.00 -0.25 0.88 -1.54 0.00 0.00 0.00 175.76 174.85 3h1k s SER 27 N -1.68 -0.39 -0.22 0.00 1.04 -0.90 -1.18 113.70 110.38 3h1k s SER 27 Ca -0.11 0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.39 3h1k s SER 27 Cb -0.05 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.52 3h1k s SER 27 CO -0.01 -0.60 -0.02 -0.70 0.98 0.00 0.00 173.24 172.88 3h1k s GLU 28 N -2.83 1.32 -0.06 4.02 2.12 -0.48 -1.61 118.70 121.17 3h1k s GLU 28 Ca 0.03 -0.82 -0.26 0.00 0.36 0.00 0.00 54.97 54.28 3h1k s GLU 28 Cb -0.01 -2.44 -0.03 0.00 0.26 0.00 0.00 34.13 31.91 3h1k s GLU 28 CO -0.07 -0.62 0.83 -2.00 -0.54 0.00 0.00 175.26 172.86 3h1k s GLU 29 N 1.54 4.45 0.29 4.30 2.12 -1.26 -1.99 118.70 128.15 3h1k s GLU 29 Ca -0.04 1.11 0.03 0.00 0.36 0.00 0.00 54.97 56.42 3h1k s GLU 29 Cb -0.18 -3.48 -0.06 0.00 0.26 0.00 0.00 34.13 30.67 3h1k s GLU 29 CO -0.07 -0.06 0.06 -1.54 -0.54 0.00 0.00 175.26 173.12 3h1k s SER 30 N 0.94 1.93 -0.08 -1.70 1.04 0.44 -4.86 113.70 111.41 3h1k s SER 30 Ca 0.43 -1.36 -0.03 0.00 0.48 0.00 0.00 55.95 55.46 3h1k s SER 30 Cb -0.19 0.01 -0.10 0.00 0.10 0.00 0.00 66.02 65.84 3h1k s SER 30 CO 0.20 -0.64 2.85 -0.24 0.98 0.00 0.00 173.24 176.40 3h1k n SER 31 N -0.59 5.53 -4.65 7.02 2.88 -1.26 -3.68 113.62 118.88 3h1k n SER 31 Ca -0.02 -2.60 -0.35 0.00 -1.33 0.00 0.00 58.87 54.58 3h1k n SER 31 Cb 0.66 -1.27 -0.10 0.00 -0.75 0.00 0.00 64.21 62.75 3h1k n SER 31 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3h1k s GLN 32 N 0.09 2.95 0.17 -1.46 -0.21 -1.26 -4.98 119.66 114.96 3h1k s GLN 32 Ca 0.41 -0.44 -0.05 0.00 0.02 0.00 0.00 55.36 55.29 3h1k s GLN 32 Cb 0.22 -2.75 0.05 0.00 1.00 0.00 0.00 33.01 31.52 3h1k s GLN 32 CO -0.03 0.68 1.46 -1.00 -2.12 0.00 0.00 175.29 174.28 3h1k h PRO 33 N 5.24 0.61 -6.82 2.91 0.13 -1.94 -2.17 132.00 129.96 3h1k h PRO 33 Ca -0.50 -0.41 -0.45 0.00 -0.87 0.00 0.00 66.00 63.77 3h1k h PRO 33 Cb 1.19 0.06 0.05 0.00 0.13 0.00 0.00 31.00 32.42 3h1k h PRO 33 CO 0.54 1.03 -0.04 -0.08 -0.23 0.00 0.00 178.00 179.22 3h1k s THR 34 N -3.94 2.49 0.04 1.56 -1.32 -1.26 -0.05 115.64 113.16 3h1k s THR 34 Ca -0.08 -0.75 -0.03 0.00 -1.21 0.00 0.00 61.69 59.61 3h1k s THR 34 Cb 0.11 -2.74 0.01 0.00 -1.51 0.00 0.00 72.50 68.37 3h1k s THR 34 CO 0.86 0.00 0.17 0.00 -2.21 0.00 0.00 174.62 173.43 3h1k s THR 36 N -2.57 0.00 0.01 0.00 2.01 -1.05 -2.13 115.64 111.91 3h1k s THR 36 Ca 0.04 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.89 3h1k s THR 36 Cb -0.01 -0.89 0.02 0.00 0.01 0.00 0.00 72.50 71.63 3h1k s THR 36 CO 0.01 -0.01 0.28 0.68 -0.69 0.00 0.00 174.62 174.89 3h1k s VAL 37 N 0.06 0.07 0.04 3.82 -7.23 -0.14 -2.09 120.40 114.94 3h1k s VAL 37 Ca -0.02 -0.60 -0.28 0.00 -1.81 0.00 0.00 61.98 59.27 3h1k s VAL 37 Cb -0.04 -0.73 0.09 0.00 0.56 0.00 0.00 36.38 36.27 3h1k s VAL 37 CO 0.02 -0.33 1.05 -0.83 -0.31 0.00 0.00 175.10 174.70 3h1k s GLY 38 N -1.63 -0.34 -0.24 2.32 0.00 -0.36 0.13 107.32 107.20 3h1k s GLY 38 Ca -0.10 0.65 -0.08 0.00 0.00 0.00 0.00 44.72 45.18 3h1k s GLY 38 CO 0.01 0.17 0.10 0.54 0.00 0.00 0.00 173.10 173.92 3h1k s VAL 39 N -2.95 4.71 -0.79 1.40 0.11 0.12 -1.00 120.40 121.99 3h1k s VAL 39 Ca 0.11 -0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 59.04 3h1k s VAL 39 Cb 0.00 -3.19 0.20 0.00 -1.53 0.00 0.00 36.38 31.86 3h1k s VAL 39 CO -0.03 0.35 0.68 0.26 -3.33 0.00 0.00 175.10 173.03 3h1k s TRP 40 N 1.33 3.69 0.04 1.54 0.51 -0.28 -1.51 118.94 124.27 3h1k s TRP 40 Ca 0.06 -2.51 -0.30 0.00 -2.12 0.00 0.00 56.10 51.23 3h1k s TRP 40 Cb -0.15 -3.49 -0.05 0.00 -0.81 0.00 0.00 33.47 28.97 3h1k s TRP 40 CO 0.05 -0.89 1.15 0.42 -0.51 0.00 0.00 176.95 177.17 3h1k s ILE 41 N -0.32 4.22 -1.28 2.03 1.01 -0.82 -3.01 121.20 123.03 3h1k s ILE 41 Ca 0.20 1.59 -0.09 0.00 0.00 0.00 0.00 60.65 62.36 3h1k s ILE 41 Cb -0.13 -4.02 -0.13 0.00 0.01 0.00 0.00 42.46 38.19 3h1k s ILE 41 CO -0.07 0.12 3.11 0.61 0.00 0.00 0.00 174.94 178.70 3h1k n GLY 42 N 3.16 3.98 3.54 6.18 0.00 -0.88 -1.41 105.19 119.76 3h1k n GLY 42 Ca 0.08 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 3h1k n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1k s ALA 43 N 1.92 2.88 -0.00 4.61 0.00 -1.26 -4.87 121.76 125.04 3h1k s ALA 43 Ca 0.69 -2.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.53 3h1k s ALA 43 Cb 0.21 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3h1k s ALA 43 CO -0.05 0.01 0.08 0.41 0.00 0.00 0.00 175.76 176.22 3h1k n GLY 44 N -0.79 0.64 0.20 0.00 0.00 -1.26 -0.49 105.19 103.50 3h1k n GLY 44 Ca -0.05 -0.85 0.09 0.00 0.00 0.00 0.00 46.02 45.21 3h1k n GLY 44 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h1k h SER 45 N 0.13 0.00 -0.35 1.61 4.64 -1.30 -3.02 113.55 115.26 3h1k h SER 45 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 3h1k h SER 45 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3h1k h SER 45 CO 0.02 0.18 0.04 -0.09 -0.87 0.00 0.00 176.83 176.11 3h1k h ARG 46 N 0.00 0.59 -0.06 4.77 2.43 -1.13 -1.79 114.38 119.19 3h1k h ARG 46 Ca -0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3h1k h ARG 46 Cb 1.05 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3h1k h ARG 46 CO 0.02 0.67 0.00 0.66 -1.51 0.00 0.00 179.97 179.82 3h1k n TYR 47 N -4.56 0.00 -1.86 2.20 4.02 -1.14 -4.73 117.16 111.09 3h1k n TYR 47 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3h1k n TYR 47 Cb 0.24 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 3h1k n TYR 47 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3h1k n GLU 48 N -0.40 2.44 -3.78 -0.72 1.02 -0.67 -4.95 120.64 113.58 3h1k n GLU 48 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 3h1k n GLU 48 Cb 0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.42 3h1k n GLU 48 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3h1k s ASN 49 N -1.00 -0.24 0.28 1.62 4.22 -1.26 -4.96 114.94 113.60 3h1k s ASN 49 Ca 0.00 -0.46 -0.04 0.00 -2.14 0.00 0.00 52.86 50.22 3h1k s ASN 49 Cb 0.00 0.59 0.57 0.00 1.28 0.00 0.00 41.25 43.69 3h1k s ASN 49 CO 0.00 -1.08 1.59 -0.08 -2.04 0.00 0.00 177.10 175.48 3h1k h GLU 50 N 2.00 0.03 0.00 3.55 4.81 -1.99 0.42 114.58 123.40 3h1k h GLU 50 Ca -0.22 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.84 3h1k h GLU 50 Cb 1.24 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 3h1k h GLU 50 CO 0.25 0.02 -0.79 0.87 -0.73 0.00 0.00 179.01 178.63 3h1k h LYS 51 N 0.03 0.00 0.00 1.92 1.57 -2.04 -3.36 116.57 114.70 3h1k h LYS 51 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 3h1k h LYS 51 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3h1k h LYS 51 CO -0.87 0.79 -1.62 0.27 -0.57 0.00 0.00 179.45 177.46 3h1k n ASN 52 N -3.32 0.57 -1.36 0.86 0.23 -0.74 -4.89 115.26 106.62 3h1k n ASN 52 Ca 0.01 -0.28 -0.19 0.00 -0.53 0.00 0.00 54.58 53.58 3h1k n ASN 52 Cb 0.85 1.64 -0.04 0.00 -2.08 0.00 0.00 39.78 40.16 3h1k n ASN 52 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3h1k n ASN 53 N -1.98 0.27 0.00 0.53 4.05 0.14 -1.65 115.26 116.62 3h1k n ASN 53 Ca -0.01 0.25 0.00 0.00 0.45 0.00 0.00 54.58 55.27 3h1k n ASN 53 Cb 0.46 -0.28 0.00 0.00 1.23 0.00 0.00 39.78 41.19 3h1k n ASN 53 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3h1k n GLY 54 N 2.02 0.95 0.31 8.20 0.00 -1.26 -4.00 105.19 111.41 3h1k n GLY 54 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 3h1k n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1k h ALA 55 N 0.00 -0.75 -0.33 4.61 0.00 -1.67 -1.11 119.26 120.02 3h1k h ALA 55 Ca 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3h1k h ALA 55 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h1k h ALA 55 CO 0.00 -0.89 0.61 0.78 0.00 0.00 0.00 179.25 179.74 3h1k h GLY 56 N -0.80 0.00 0.00 0.00 0.00 -1.88 0.37 103.07 100.76 3h1k h GLY 56 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 3h1k h GLY 56 CO 0.13 0.00 -1.28 2.98 0.00 0.00 0.00 176.54 178.37 3h1k n TYR 57 N -3.21 0.92 -0.25 5.60 9.36 -1.07 -2.39 117.16 126.12 3h1k n TYR 57 Ca 0.06 0.40 0.16 0.00 3.32 0.00 0.00 57.90 61.84 3h1k n TYR 57 Cb 0.74 -1.05 0.46 0.00 -0.63 0.00 0.00 39.34 38.86 3h1k n TYR 57 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 3h1k h PHE 58 N -1.00 0.65 0.20 2.98 -0.00 0.14 0.27 116.94 120.18 3h1k h PHE 58 Ca -0.33 0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 57.65 3h1k h PHE 58 Cb 1.23 -0.20 0.00 0.00 -0.00 0.00 0.00 35.95 36.98 3h1k h PHE 58 CO 0.04 0.20 -0.10 0.28 -0.00 0.00 0.00 178.31 178.73 3h1k h VAL 59 N 0.51 0.86 -1.27 1.41 2.07 -0.48 -2.39 116.25 116.96 3h1k h VAL 59 Ca 0.46 -0.85 0.37 0.00 0.82 0.00 0.00 66.70 67.50 3h1k h VAL 59 Cb 0.99 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 3h1k h VAL 59 CO -0.19 0.18 0.91 -0.08 0.02 0.00 0.00 177.57 178.40 3h1k h GLU 60 N -0.73 0.04 -0.02 1.57 4.81 -0.39 0.57 114.58 120.43 3h1k h GLU 60 Ca -0.03 -0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.98 3h1k h GLU 60 Cb 0.50 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3h1k h GLU 60 CO 0.05 0.03 -0.91 0.45 -0.73 0.00 0.00 179.01 177.89 3h1k h HIS 61 N 0.04 0.64 -0.65 0.92 3.86 -0.27 -3.27 115.15 116.42 3h1k h HIS 61 Ca 0.62 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 3h1k h HIS 61 Cb 2.39 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 30.78 3h1k h HIS 61 CO -0.00 1.15 0.00 1.28 0.86 0.00 0.00 177.93 181.22 3h1k n LEU 62 N -3.77 3.91 0.00 2.43 4.77 0.18 -4.33 117.00 120.19 3h1k n LEU 62 Ca -0.07 -1.96 0.13 0.00 -0.03 0.00 0.00 56.01 54.08 3h1k n LEU 62 Cb 0.82 -0.49 0.60 0.00 -2.33 0.00 0.00 43.42 42.02 3h1k n LEU 62 CO 0.51 0.84 0.93 0.00 -1.33 0.00 0.00 177.39 178.34 3h1k n ALA 63 N 1.31 2.25 0.00 -1.18 0.00 -0.10 -3.55 120.51 119.23 3h1k n ALA 63 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3h1k n ALA 63 Cb 0.67 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 3h1k n ALA 63 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h1k n PHE 64 N -1.44 0.00 -0.44 0.00 0.99 -1.26 -4.69 117.46 110.63 3h1k n PHE 64 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.52 3h1k n PHE 64 Cb 0.28 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.76 3h1k n PHE 64 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3h1k n LYS 65 N -1.03 1.05 0.00 -1.08 4.76 -1.23 -4.69 118.16 115.93 3h1k n LYS 65 Ca 0.00 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3h1k n LYS 65 Cb 0.00 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 3h1k n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h1k n GLY 66 N 1.37 0.75 3.27 0.72 0.00 -1.26 -3.71 105.19 106.33 3h1k n GLY 66 Ca 0.02 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 3h1k n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1k s THR 67 N -1.64 0.00 0.15 2.61 -4.23 -1.06 -2.51 115.64 108.97 3h1k s THR 67 Ca 0.00 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 58.47 3h1k s THR 67 Cb 0.00 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.41 3h1k s THR 67 CO 0.00 0.00 1.71 0.11 -0.54 0.00 0.00 174.62 175.90 3h1k h LYS 68 N 2.52 0.75 -0.91 3.99 1.57 -1.71 -2.87 116.57 119.90 3h1k h LYS 68 Ca -0.34 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3h1k h LYS 68 Cb 1.25 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.39 3h1k h LYS 68 CO 0.49 0.66 0.57 -0.22 -0.57 0.00 0.00 179.45 180.37 3h1k h LYS 69 N 0.67 1.23 -1.88 3.15 3.64 -1.97 -3.41 116.57 117.99 3h1k h LYS 69 Ca 0.17 -0.10 -0.22 0.00 -1.27 0.00 0.00 60.65 59.23 3h1k h LYS 69 Cb 0.19 -0.26 -0.30 0.00 -0.41 0.00 0.00 32.23 31.45 3h1k h LYS 69 CO -0.01 0.85 -0.55 -0.98 -2.27 0.00 0.00 179.45 176.48 3h1k s ARG 70 N -6.01 0.37 1.20 1.90 1.70 -1.10 -5.11 118.95 111.90 3h1k s ARG 70 Ca -0.13 0.17 -0.16 0.00 -0.47 0.00 0.00 55.73 55.14 3h1k s ARG 70 Cb 0.17 -0.46 0.24 0.00 -0.57 0.00 0.00 34.95 34.33 3h1k s ARG 70 CO 0.81 -0.92 0.61 -0.35 -1.08 0.00 0.00 175.30 174.37 3h1k n PRO 71 N 5.35 -2.58 0.00 3.89 -0.04 -1.11 -2.57 135.00 137.94 3h1k n PRO 71 Ca -0.01 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 3h1k n PRO 71 Cb 0.49 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 3h1k n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1k n ALA 73 N -1.30 -0.43 -0.05 0.00 0.00 -1.26 -0.27 120.51 117.21 3h1k n ALA 73 Ca 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 53.44 53.90 3h1k n ALA 73 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 3h1k n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1k h ALA 74 N 0.05 0.26 0.51 0.00 0.00 -1.64 0.31 119.26 118.75 3h1k h ALA 74 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3h1k h ALA 74 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3h1k h ALA 74 CO -0.62 -0.22 -0.50 0.35 0.00 0.00 0.00 179.25 178.26 3h1k h PHE 75 N 0.24 -1.38 0.16 0.00 3.57 -0.14 1.34 116.94 120.71 3h1k h PHE 75 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 3h1k h PHE 75 Cb 0.04 0.54 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 3h1k h PHE 75 CO -0.04 -0.67 -0.39 0.93 -2.23 0.00 0.00 178.31 175.91 3h1k h GLU 76 N -1.01 -0.62 -0.53 1.11 5.08 -0.56 -1.62 114.58 116.43 3h1k h GLU 76 Ca -0.06 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3h1k h GLU 76 Cb 0.87 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 30.16 3h1k h GLU 76 CO -0.06 -0.41 -0.32 -0.22 -1.00 0.00 0.00 179.01 177.00 3h1k h LYS 77 N -0.64 -0.17 -0.95 2.33 3.64 -0.06 -0.08 116.57 120.64 3h1k h LYS 77 Ca 0.02 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.56 3h1k h LYS 77 Cb 0.66 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.42 3h1k h LYS 77 CO -0.20 -0.12 0.56 1.49 -2.27 0.00 0.00 179.45 178.91 3h1k h GLU 78 N -0.18 0.78 0.01 1.90 4.81 0.23 -1.35 114.58 120.77 3h1k h GLU 78 Ca 0.22 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3h1k h GLU 78 Cb 0.54 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3h1k h GLU 78 CO -0.63 0.51 -0.00 0.28 -0.73 0.00 0.00 179.01 178.44 3h1k h VAL 79 N 0.80 1.61 0.25 0.32 2.07 -0.19 -3.32 116.25 117.79 3h1k h VAL 79 Ca 0.51 -2.09 0.01 0.00 0.82 0.00 0.00 66.70 65.95 3h1k h VAL 79 Cb 0.66 2.98 -0.04 0.00 -1.52 0.00 0.00 31.29 33.37 3h1k h VAL 79 CO -0.33 0.52 -0.49 -0.33 0.02 0.00 0.00 177.57 176.96 3h1k h GLU 80 N -0.94 -0.78 0.00 1.57 5.08 -1.00 -2.31 114.58 116.20 3h1k h GLU 80 Ca -0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3h1k h GLU 80 Cb 0.86 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3h1k h GLU 80 CO 0.00 -0.52 0.45 -1.13 -1.00 0.00 0.00 179.01 176.81 3h1k n SER 81 N -5.51 0.05 -0.23 1.42 3.41 -0.52 0.70 113.62 112.95 3h1k n SER 81 Ca -0.09 0.21 0.02 0.00 -0.26 0.00 0.00 58.87 58.75 3h1k n SER 81 Cb 0.42 -0.15 0.04 0.00 -0.26 0.00 0.00 64.21 64.26 3h1k n SER 81 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 3h1k n MET 82 N -1.40 1.34 -0.98 4.33 0.00 -0.88 -4.99 117.12 114.55 3h1k n MET 82 Ca -0.00 -1.27 0.00 0.00 0.00 0.00 0.00 57.70 56.43 3h1k n MET 82 Cb 0.45 -1.10 0.00 0.00 0.00 0.00 0.00 33.22 32.57 3h1k n MET 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3h1k n GLY 83 N 0.08 0.59 3.83 3.17 0.00 0.22 -4.84 105.19 108.25 3h1k n GLY 83 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3h1k n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1k s ALA 84 N -2.50 2.66 -0.24 4.61 0.00 -1.17 -4.81 121.76 120.31 3h1k s ALA 84 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3h1k s ALA 84 Cb 0.00 -3.15 0.06 0.00 0.00 0.00 0.00 23.12 20.04 3h1k s ALA 84 CO 0.00 -1.25 -0.07 -1.01 0.00 0.00 0.00 175.76 173.42 3h1k s HIS 85 N -3.09 2.72 -0.32 0.00 0.09 0.24 -4.62 115.29 110.31 3h1k s HIS 85 Ca 0.58 -1.97 -0.12 0.00 -0.00 0.00 0.00 55.06 53.55 3h1k s HIS 85 Cb -0.14 -1.72 -0.03 0.00 -0.00 0.00 0.00 32.58 30.70 3h1k s HIS 85 CO 0.55 -0.81 0.22 0.12 -0.00 0.00 0.00 174.74 174.81 3h1k s PHE 86 N 1.29 3.22 0.37 1.40 2.19 -1.26 -0.20 117.98 124.98 3h1k s PHE 86 Ca -0.07 -0.12 0.04 0.00 0.33 0.00 0.00 56.93 57.11 3h1k s PHE 86 Cb -0.19 -2.44 -0.03 0.00 -1.31 0.00 0.00 43.02 39.05 3h1k s PHE 86 CO -0.06 -0.30 0.14 1.21 1.83 0.00 0.00 175.22 178.04 3h1k s ASN 87 N 1.73 2.35 0.00 6.13 3.84 0.17 -5.01 114.94 124.14 3h1k s ASN 87 Ca 0.06 -1.61 0.00 0.00 0.21 0.00 0.00 52.86 51.52 3h1k s ASN 87 Cb -0.17 0.40 0.00 0.00 -0.55 0.00 0.00 41.25 40.93 3h1k s ASN 87 CO 0.10 -0.89 0.00 0.61 -2.79 0.00 0.00 177.10 174.14 3h1k n GLY 88 N -0.78 1.84 0.32 1.21 0.00 -1.26 -0.67 105.19 105.85 3h1k n GLY 88 Ca -0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 3h1k n GLY 88 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3h1k n TYR 89 N -0.55 -0.07 -3.15 1.61 0.18 0.43 -4.98 117.16 110.63 3h1k n TYR 89 Ca 0.00 -0.28 0.05 0.00 1.88 0.00 0.00 57.90 59.55 3h1k n TYR 89 Cb 0.00 0.03 -0.01 0.00 -0.38 0.00 0.00 39.34 38.98 3h1k n TYR 89 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 3h1k s THR 90 N -2.10 -0.55 0.50 -3.48 -1.32 -1.26 -1.09 115.64 106.34 3h1k s THR 90 Ca 0.04 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.58 3h1k s THR 90 Cb 0.00 -0.73 0.02 0.00 -1.51 0.00 0.00 72.50 70.28 3h1k s THR 90 CO 0.03 0.00 0.39 -0.94 -2.21 0.00 0.00 174.62 171.89 3h1k s SER 91 N 2.91 4.72 0.38 8.08 1.04 0.60 -4.93 113.70 126.51 3h1k s SER 91 Ca 0.15 -1.10 0.22 0.00 0.48 0.00 0.00 55.95 55.70 3h1k s SER 91 Cb -0.08 0.10 1.32 0.00 0.10 0.00 0.00 66.02 67.46 3h1k s SER 91 CO -0.20 -0.96 1.60 0.03 0.98 0.00 0.00 173.24 174.69 3h1k h ARG 92 N 0.85 0.08 0.00 4.02 3.08 -1.92 -2.44 114.38 118.05 3h1k h ARG 92 Ca -0.38 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3h1k h ARG 92 Cb 1.29 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.28 3h1k h ARG 92 CO 0.58 0.05 -0.35 0.39 -1.07 0.00 0.00 179.97 179.58 3h1k n GLU 93 N -5.08 0.69 -3.31 0.04 1.02 -1.26 -0.63 120.64 112.12 3h1k n GLU 93 Ca 0.37 -1.99 0.03 0.00 -0.02 0.00 0.00 57.16 55.55 3h1k n GLU 93 Cb 1.27 -0.98 -0.03 0.00 -0.02 0.00 0.00 31.44 31.68 3h1k n GLU 93 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3h1k s GLN 94 N -1.53 0.33 0.19 3.49 0.74 0.35 -4.40 119.66 118.83 3h1k s GLN 94 Ca 0.20 0.72 0.05 0.00 0.05 0.00 0.00 55.36 56.38 3h1k s GLN 94 Cb 0.19 0.42 -0.04 0.00 1.10 0.00 0.00 33.01 34.69 3h1k s GLN 94 CO -0.01 -0.22 0.21 0.99 -0.55 0.00 0.00 175.29 175.70 3h1k s THR 95 N 2.70 4.74 -0.28 -0.34 2.01 -0.50 -0.29 115.64 123.68 3h1k s THR 95 Ca 0.01 -1.06 -0.20 0.00 0.31 0.00 0.00 61.69 60.75 3h1k s THR 95 Cb -0.09 -3.48 0.09 0.00 0.01 0.00 0.00 72.50 69.03 3h1k s THR 95 CO -0.16 -0.19 0.77 0.00 -0.69 0.00 0.00 174.62 174.35 3h1k s ALA 96 N -1.86 -1.90 -0.13 7.40 0.00 -0.25 -1.94 121.76 123.08 3h1k s ALA 96 Ca 0.32 2.22 -0.00 0.00 0.00 0.00 0.00 51.96 54.50 3h1k s ALA 96 Cb -0.10 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.67 3h1k s ALA 96 CO 0.25 -0.35 -0.11 -0.06 0.00 0.00 0.00 175.76 175.50 3h1k s PHE 97 N 1.05 1.79 0.08 0.00 0.40 -0.57 -0.43 117.98 120.29 3h1k s PHE 97 Ca -0.05 -0.95 0.01 0.00 -0.60 0.00 0.00 56.93 55.34 3h1k s PHE 97 Cb -0.05 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 3h1k s PHE 97 CO -0.11 -0.58 -0.05 1.52 0.70 0.00 0.00 175.22 176.70 3h1k s TYR 98 N 1.60 0.73 0.03 0.36 -0.85 0.15 0.11 117.35 119.48 3h1k s TYR 98 Ca 0.05 -0.95 0.05 0.00 -0.52 0.00 0.00 57.07 55.69 3h1k s TYR 98 Cb -0.13 -0.46 -0.02 0.00 0.38 0.00 0.00 41.96 41.74 3h1k s TYR 98 CO -0.09 -0.24 -0.14 0.42 -1.52 0.00 0.00 175.55 173.98 3h1k s ILE 99 N -3.63 1.10 -0.14 -3.49 1.01 0.34 -0.66 121.20 115.73 3h1k s ILE 99 Ca 0.09 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 3h1k s ILE 99 Cb 0.06 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 3h1k s ILE 99 CO -0.07 0.05 -0.12 -0.54 0.00 0.00 0.00 174.94 174.26 3h1k s LYS 100 N -1.00 3.36 0.19 2.79 1.02 0.72 -0.96 119.74 125.86 3h1k s LYS 100 Ca 0.02 -0.69 -0.17 0.00 0.02 0.00 0.00 55.97 55.16 3h1k s LYS 100 Cb -0.07 -2.68 0.06 0.00 -0.52 0.00 0.00 37.83 34.62 3h1k s LYS 100 CO 0.01 0.14 0.82 0.00 -0.92 0.00 0.00 175.35 175.40 3h1k n ALA 101 N 3.75 -2.09 -1.77 5.17 0.00 -0.90 0.81 120.51 125.48 3h1k n ALA 101 Ca -0.18 -0.91 -0.39 0.00 0.00 0.00 0.00 53.44 51.96 3h1k n ALA 101 Cb 0.52 0.56 -0.01 0.00 0.00 0.00 0.00 19.45 20.52 3h1k n ALA 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h1k s LEU 102 N 0.00 4.24 0.65 0.00 1.43 -1.26 0.03 118.68 123.77 3h1k s LEU 102 Ca 0.18 2.58 0.34 0.00 -1.03 0.00 0.00 54.13 56.20 3h1k s LEU 102 Cb -0.03 -3.89 1.88 0.00 0.03 0.00 0.00 46.19 44.19 3h1k s LEU 102 CO 0.06 -0.75 2.11 0.28 0.23 0.00 0.00 176.35 178.27 3h1k h SER 103 N 2.78 0.00 0.52 2.29 0.02 -0.68 -1.71 113.55 116.78 3h1k h SER 103 Ca -0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 3h1k h SER 103 Cb 1.24 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 3h1k h SER 103 CO 0.63 0.00 -0.48 0.50 -1.14 0.00 0.00 176.83 176.34 3h1k h LYS 104 N 0.00 -0.96 0.00 3.45 3.64 -1.89 -1.39 116.57 119.42 3h1k h LYS 104 Ca 0.03 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3h1k h LYS 104 Cb 0.43 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3h1k h LYS 104 CO -0.00 -0.64 0.00 -0.25 -2.27 0.00 0.00 179.45 176.29 3h1k n ASP 105 N -5.56 0.00 -0.01 4.20 8.00 -0.65 -4.29 116.55 118.24 3h1k n ASP 105 Ca -0.12 0.11 -0.00 0.00 0.71 0.00 0.00 54.79 55.49 3h1k n ASP 105 Cb 0.46 -0.21 -0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3h1k n ASP 105 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3h1k n MET 106 N -1.21 -0.01 0.00 -1.24 1.56 -0.53 -0.68 117.12 115.01 3h1k n MET 106 Ca 0.03 0.14 0.00 0.00 -0.27 0.00 0.00 57.70 57.60 3h1k n MET 106 Cb 0.04 -0.20 0.00 0.00 2.15 0.00 0.00 33.22 35.20 3h1k n MET 106 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 3h1k n PRO 107 N -2.56 0.00 -0.13 2.12 -0.04 -1.26 -3.02 135.00 130.11 3h1k n PRO 107 Ca 0.00 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 3h1k n PRO 107 Cb 0.01 -1.18 0.23 0.00 -0.04 0.00 0.00 33.50 32.51 3h1k n PRO 107 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3h1k n LYS 108 N -1.23 -0.02 0.12 0.54 3.00 -0.86 0.81 118.16 120.51 3h1k n LYS 108 Ca 0.00 0.52 -0.07 0.00 -0.00 0.00 0.00 58.31 58.76 3h1k n LYS 108 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 35.03 34.04 3h1k n LYS 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3h1k h VAL 109 N 0.00 0.00 -0.64 3.15 2.07 -0.81 -2.88 116.25 117.14 3h1k h VAL 109 Ca 0.33 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.00 3h1k h VAL 109 Cb 0.90 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.55 3h1k h VAL 109 CO -0.28 0.00 -0.08 0.52 0.02 0.00 0.00 177.57 177.75 3h1k n VAL 110 N -3.48 -0.27 -0.11 2.57 0.31 0.24 0.18 118.33 117.77 3h1k n VAL 110 Ca -0.05 1.44 -0.11 0.00 -0.01 0.00 0.00 64.34 65.61 3h1k n VAL 110 Cb 0.18 -2.04 -0.06 0.00 -0.91 0.00 0.00 33.84 31.01 3h1k n VAL 110 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3h1k h GLU 111 N 0.00 -0.35 0.01 5.55 4.81 -1.48 0.82 114.58 123.93 3h1k h GLU 111 Ca 0.34 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.63 3h1k h GLU 111 Cb 0.61 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 3h1k h GLU 111 CO -0.63 -0.23 -0.44 -0.07 -0.73 0.00 0.00 179.01 176.90 3h1k h LEU 112 N -0.37 -1.33 -0.14 1.64 3.38 0.20 0.79 115.31 119.49 3h1k h LEU 112 Ca 0.12 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.29 3h1k h LEU 112 Cb 0.60 0.51 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 3h1k h LEU 112 CO -0.56 -0.47 -0.39 -0.07 0.09 0.00 0.00 178.44 177.04 3h1k h LEU 113 N -0.59 -1.22 -0.57 1.67 3.38 -0.59 -1.01 115.31 116.37 3h1k h LEU 113 Ca 0.04 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.29 3h1k h LEU 113 Cb 0.67 0.50 -0.10 0.00 0.09 0.00 0.00 40.66 41.82 3h1k h LEU 113 CO -0.32 -0.41 -0.03 0.00 0.09 0.00 0.00 178.44 177.78 3h1k h ALA 114 N 0.22 0.52 0.37 1.53 0.00 0.14 -2.01 119.26 120.03 3h1k h ALA 114 Ca 0.08 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3h1k h ALA 114 Cb 0.60 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3h1k h ALA 114 CO -0.39 -0.40 -0.32 0.22 0.00 0.00 0.00 179.25 178.36 3h1k h ASP 115 N 0.09 -0.86 -0.53 0.00 3.58 0.16 -2.75 116.42 116.10 3h1k h ASP 115 Ca 0.29 0.07 0.09 0.00 0.42 0.00 0.00 57.03 57.91 3h1k h ASP 115 Cb 0.46 0.28 -0.11 0.00 1.72 0.00 0.00 39.33 41.69 3h1k h ASP 115 CO -0.51 -0.47 -0.35 0.58 -2.88 0.00 0.00 179.24 175.61 3h1k h VAL 116 N -0.71 0.17 0.39 2.25 2.07 -0.51 0.15 116.25 120.07 3h1k h VAL 116 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3h1k h VAL 116 Cb 0.62 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3h1k h VAL 116 CO -0.03 0.00 -0.24 -0.37 0.02 0.00 0.00 177.57 176.95 3h1k h VAL 117 N -0.20 0.51 0.00 2.57 -1.51 -1.44 -3.22 116.25 112.96 3h1k h VAL 117 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.68 3h1k h VAL 117 Cb 0.55 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 3h1k h VAL 117 CO -0.64 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 175.70 3h1k n GLN 118 N -5.37 0.00 -1.62 5.19 6.02 -1.01 -4.43 117.38 116.17 3h1k n GLN 118 Ca -0.10 0.39 -0.31 0.00 -0.01 0.00 0.00 57.00 56.96 3h1k n GLN 118 Cb 0.27 -0.97 -0.05 0.00 1.02 0.00 0.00 30.24 30.52 3h1k n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3h1k n ASN 119 N -1.66 7.05 -4.72 1.08 3.02 0.50 -4.97 115.26 115.56 3h1k n ASN 119 Ca 0.00 -3.08 -0.42 0.00 -0.03 0.00 0.00 54.58 51.05 3h1k n ASN 119 Cb 0.00 -1.31 -0.03 0.00 -0.61 0.00 0.00 39.78 37.83 3h1k n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1k n ALA 121 N 3.57 -0.02 -2.70 0.00 0.00 -1.04 -4.63 120.51 115.68 3h1k n ALA 121 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.45 3h1k n ALA 121 Cb 0.45 0.22 0.02 0.00 0.00 0.00 0.00 19.45 20.14 3h1k n ALA 121 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h1k n LEU 122 N -1.21 -2.21 -4.62 0.00 4.77 -1.26 -4.82 117.00 107.66 3h1k n LEU 122 Ca 0.00 -0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.42 3h1k n LEU 122 Cb 0.00 -1.29 -0.03 0.00 -2.33 0.00 0.00 43.42 39.77 3h1k n LEU 122 CO 0.00 0.15 1.77 -0.70 -1.33 0.00 0.00 177.39 177.28 3h1k s GLU 123 N -5.19 3.43 0.63 3.23 2.56 -1.26 -4.81 118.70 117.30 3h1k s GLU 123 Ca 0.15 2.19 0.25 0.00 0.00 0.00 0.00 54.97 57.56 3h1k s GLU 123 Cb -0.06 -4.31 1.31 0.00 2.00 0.00 0.00 34.13 33.07 3h1k s GLU 123 CO 0.18 -1.76 1.74 1.49 -0.56 0.00 0.00 175.26 176.35 3h1k h GLU 124 N 13.71 0.00 0.00 4.30 4.81 -2.01 0.21 114.58 135.61 3h1k h GLU 124 Ca -0.43 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.71 3h1k h GLU 124 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3h1k h GLU 124 CO 0.96 0.00 -0.43 0.66 -0.73 0.00 0.00 179.01 179.46 3h1k h SER 125 N 0.00 0.00 1.18 1.04 4.64 -2.02 -3.09 113.55 115.30 3h1k h SER 125 Ca 0.11 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 3h1k h SER 125 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3h1k h SER 125 CO -0.00 0.43 -0.86 -0.61 -0.87 0.00 0.00 176.83 174.92 3h1k h GLN 126 N 0.00 0.00 0.60 4.77 5.75 -0.94 -3.36 115.11 121.92 3h1k h GLN 126 Ca -0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3h1k h GLN 126 Cb 0.97 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.53 3h1k h GLN 126 CO 0.06 0.43 -0.29 0.82 -2.65 0.00 0.00 178.83 177.19 3h1k h ILE 127 N 0.00 0.23 0.00 2.39 2.04 -1.44 0.28 117.51 121.01 3h1k h ILE 127 Ca -0.06 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3h1k h ILE 127 Cb 1.46 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3h1k h ILE 127 CO 0.06 0.03 0.25 -0.62 0.00 0.00 0.00 178.15 177.87 3h1k n GLU 128 N -5.34 0.08 -0.01 2.37 -0.58 -1.23 0.93 120.64 116.85 3h1k n GLU 128 Ca -0.11 0.52 -0.21 0.00 -0.42 0.00 0.00 57.16 56.94 3h1k n GLU 128 Cb 0.35 -1.99 -0.14 0.00 -0.57 0.00 0.00 31.44 29.09 3h1k n GLU 128 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3h1k n LYS 129 N -1.92 0.74 0.00 3.49 0.00 -0.94 -3.95 118.16 115.58 3h1k n LYS 129 Ca -0.01 0.29 0.12 0.00 0.00 0.00 0.00 58.31 58.71 3h1k n LYS 129 Cb 0.26 -1.71 0.55 0.00 0.00 0.00 0.00 35.03 34.14 3h1k n LYS 129 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3h1k n GLU 130 N -3.57 0.17 0.00 1.64 -0.58 0.26 -3.30 120.64 115.25 3h1k n GLU 130 Ca -0.33 0.08 -0.10 0.00 -0.42 0.00 0.00 57.16 56.40 3h1k n GLU 130 Cb 1.01 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.30 3h1k n GLU 130 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3h1k h ARG 131 N 0.00 -0.11 -0.18 3.49 2.43 -0.87 -2.71 114.38 116.43 3h1k h ARG 131 Ca 0.00 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3h1k h ARG 131 Cb 0.32 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3h1k h ARG 131 CO 0.00 0.39 0.13 0.78 -1.51 0.00 0.00 179.97 179.76 3h1k h GLY 132 N -0.92 0.00 0.27 2.80 0.00 -1.70 -1.96 103.07 101.56 3h1k h GLY 132 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3h1k h GLY 132 CO 0.02 0.00 -0.13 -2.08 0.00 0.00 0.00 176.54 174.35 3h1k h VAL 133 N 0.00 0.00 -0.49 4.60 2.07 -1.56 -2.69 116.25 118.18 3h1k h VAL 133 Ca 0.09 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.61 3h1k h VAL 133 Cb 0.36 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 3h1k h VAL 133 CO -0.00 0.00 -0.51 0.40 0.02 0.00 0.00 177.57 177.48 3h1k h ILE 134 N -0.43 0.04 -1.05 4.57 2.04 -1.39 0.58 117.51 121.86 3h1k h ILE 134 Ca -0.04 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.13 3h1k h ILE 134 Cb 0.28 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 3h1k h ILE 134 CO 0.06 0.00 1.19 0.18 0.00 0.00 0.00 178.15 179.59 3h1k n LEU 135 N -5.38 0.00 -0.08 1.44 4.77 -0.75 0.12 117.00 117.12 3h1k n LEU 135 Ca -0.01 0.74 -0.22 0.00 -0.03 0.00 0.00 56.01 56.50 3h1k n LEU 135 Cb 0.34 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 3h1k n LEU 135 CO -0.00 -0.74 -0.52 1.56 -1.33 0.00 0.00 177.39 176.35 3h1k h GLN 136 N 0.00 0.04 -0.54 3.23 1.08 0.45 -3.28 115.11 116.09 3h1k h GLN 136 Ca 0.50 -0.08 0.16 0.00 -1.45 0.00 0.00 58.65 57.78 3h1k h GLN 136 Cb 2.88 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 30.32 3h1k h GLN 136 CO -0.01 1.04 0.60 0.93 -0.95 0.00 0.00 178.83 180.44 3h1k h GLU 137 N -0.84 0.00 0.16 1.46 5.08 0.23 0.13 114.58 120.80 3h1k h GLU 137 Ca -0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3h1k h GLU 137 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3h1k h GLU 137 CO -0.15 0.00 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.71 3h1k h LEU 138 N 0.00 -0.18 -1.10 1.33 3.38 -1.20 0.32 115.31 117.87 3h1k h LEU 138 Ca 0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3h1k h LEU 138 Cb 1.46 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.25 3h1k h LEU 138 CO -0.00 0.04 0.54 0.11 0.09 0.00 0.00 178.44 179.22 3h1k h LYS 139 N -0.54 0.00 0.05 1.13 1.57 -0.98 1.18 116.57 118.98 3h1k h LYS 139 Ca -0.02 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.39 3h1k h LYS 139 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 3h1k h LYS 139 CO 0.03 0.00 -2.22 0.39 -0.57 0.00 0.00 179.45 177.08 3h1k n GLU 140 N -2.55 0.70 0.13 3.15 1.02 0.22 -3.98 120.64 119.34 3h1k n GLU 140 Ca -0.01 0.19 0.13 0.00 -0.02 0.00 0.00 57.16 57.45 3h1k n GLU 140 Cb 0.57 -1.62 0.46 0.00 -0.02 0.00 0.00 31.44 30.84 3h1k n GLU 140 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3h1k h MET 141 N 0.03 0.00 -0.35 3.49 2.86 0.25 -2.80 114.93 118.42 3h1k h MET 141 Ca -0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3h1k h MET 141 Cb 1.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.65 3h1k h MET 141 CO 0.00 0.00 0.00 -3.47 1.06 0.00 0.00 176.91 174.50 3h1k n ASP 142 N -2.34 0.35 -0.35 1.22 2.03 0.34 -2.75 116.55 115.05 3h1k n ASP 142 Ca 0.03 -1.76 0.02 0.00 0.52 0.00 0.00 54.79 53.61 3h1k n ASP 142 Cb 0.32 -0.17 0.03 0.00 -0.72 0.00 0.00 41.12 40.58 3h1k n ASP 142 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3h1k n ASN 143 N -0.28 0.58 -3.81 1.67 3.02 -1.05 -4.89 115.26 110.50 3h1k n ASN 143 Ca 0.00 -2.17 -0.33 0.00 -0.03 0.00 0.00 54.58 52.05 3h1k n ASN 143 Cb 0.09 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 38.97 3h1k n ASN 143 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3h1k n ASP 144 N -0.34 4.42 -0.30 6.41 2.03 -1.11 -4.94 116.55 122.72 3h1k n ASP 144 Ca 0.04 -3.32 0.15 0.00 0.52 0.00 0.00 54.79 52.18 3h1k n ASP 144 Cb 0.66 -0.93 0.30 0.00 -0.72 0.00 0.00 41.12 40.43 3h1k n ASP 144 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3h1k n MET 145 N 1.52 -0.07 -0.34 -0.67 2.81 -1.26 0.14 117.12 119.25 3h1k n MET 145 Ca 0.26 1.30 0.24 0.00 -1.81 0.00 0.00 57.70 57.68 3h1k n MET 145 Cb 0.37 -2.11 0.47 0.00 -0.71 0.00 0.00 33.22 31.25 3h1k n MET 145 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3h1k h THR 146 N 0.00 0.32 0.00 2.03 2.02 -1.98 0.91 112.91 116.21 3h1k h THR 146 Ca 0.57 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.60 3h1k h THR 146 Cb 1.24 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3h1k h THR 146 CO -0.80 0.06 -0.45 0.78 0.37 0.00 0.00 175.52 175.47 3h1k h ASN 147 N 0.34 0.00 -0.88 4.18 2.35 0.79 -3.12 115.58 119.23 3h1k h ASN 147 Ca 0.73 -0.12 0.32 0.00 -0.55 0.00 0.00 56.30 56.68 3h1k h ASN 147 Cb 1.66 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.92 3h1k h ASN 147 CO -0.59 0.80 0.54 0.52 -1.65 0.00 0.00 177.43 177.06 3h1k n VAL 148 N -4.63 -0.21 0.00 2.81 0.31 -0.69 0.62 118.33 116.54 3h1k n VAL 148 Ca -0.09 1.28 0.00 0.00 -0.01 0.00 0.00 64.34 65.53 3h1k n VAL 148 Cb 0.27 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.09 3h1k n VAL 148 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3h1k n THR 149 N -4.20 0.00 -0.33 2.52 -1.04 0.28 -1.90 114.28 109.62 3h1k n THR 149 Ca 0.27 1.07 0.24 0.00 -2.04 0.00 0.00 64.05 63.60 3h1k n THR 149 Cb 1.03 -2.02 0.46 0.00 -1.82 0.00 0.00 70.33 67.98 3h1k n THR 149 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3h1k h PHE 150 N 0.00 0.49 0.71 -1.42 -1.00 0.25 0.78 116.94 116.74 3h1k h PHE 150 Ca 0.00 0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 3h1k h PHE 150 Cb 0.00 -0.05 0.01 0.00 3.61 0.00 0.00 35.95 39.52 3h1k h PHE 150 CO 0.13 -0.43 -0.34 -0.44 -1.61 0.00 0.00 178.31 175.61 3h1k h ASP 151 N 0.03 -0.80 -1.00 2.17 3.32 -1.04 0.88 116.42 119.97 3h1k h ASP 151 Ca 0.74 0.03 0.27 0.00 0.02 0.00 0.00 57.03 58.08 3h1k h ASP 151 Cb 1.79 0.21 -0.13 0.00 0.22 0.00 0.00 39.33 41.41 3h1k h ASP 151 CO -0.81 -0.56 0.58 1.88 -1.72 0.00 0.00 179.24 178.60 3h1k h TYR 152 N -0.97 0.97 -0.09 4.55 0.99 0.19 0.65 116.97 123.25 3h1k h TYR 152 Ca -0.10 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.70 3h1k h TYR 152 Cb 0.73 -0.27 -0.03 0.00 1.00 0.00 0.00 36.73 38.16 3h1k h TYR 152 CO 0.06 -0.01 -0.06 1.25 -0.00 0.00 0.00 178.16 179.40 3h1k h LEU 153 N 0.50 -0.20 0.12 3.88 5.85 0.86 -2.66 115.31 123.66 3h1k h LEU 153 Ca 0.67 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.43 3h1k h LEU 153 Cb 1.36 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.49 3h1k h LEU 153 CO -0.52 -0.09 -0.09 0.45 -0.34 0.00 0.00 178.44 177.86 3h1k h HIS 154 N -0.07 -0.22 0.00 1.25 3.86 0.26 0.15 115.15 120.39 3h1k h HIS 154 Ca 0.06 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3h1k h HIS 154 Cb 0.15 0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3h1k h HIS 154 CO -0.18 -0.14 0.21 0.00 0.86 0.00 0.00 177.93 178.69 3h1k n ALA 155 N -2.23 0.65 -0.00 2.45 0.00 0.61 -0.17 120.51 121.83 3h1k n ALA 155 Ca -0.08 0.05 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 3h1k n ALA 155 Cb 0.12 -0.73 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 3h1k n ALA 155 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3h1k n THR 156 N -1.63 0.02 -0.20 0.00 5.66 -1.08 -3.13 114.28 113.92 3h1k n THR 156 Ca -0.00 -0.01 0.06 0.00 -3.05 0.00 0.00 64.05 61.04 3h1k n THR 156 Cb 0.22 -0.77 0.33 0.00 -1.55 0.00 0.00 70.33 68.57 3h1k n THR 156 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h1k h ALA 157 N 0.01 1.66 0.00 1.79 0.00 0.87 -3.27 119.26 120.31 3h1k h ALA 157 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3h1k h ALA 157 Cb 1.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3h1k h ALA 157 CO -0.00 0.23 -1.52 1.19 0.00 0.00 0.00 179.25 179.15 3h1k n PHE 158 N -4.48 0.00 0.00 0.00 3.01 0.76 -1.23 117.46 115.53 3h1k n PHE 158 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 3h1k n PHE 158 Cb 0.20 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 3h1k n PHE 158 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h1k n GLN 159 N -2.43 0.00 -0.90 -1.08 10.64 -1.18 -3.73 117.38 118.70 3h1k n GLN 159 Ca -0.14 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.03 3h1k n GLN 159 Cb 0.72 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.10 3h1k n GLN 159 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h1k n GLY 160 N 0.68 0.45 3.11 2.61 0.00 -1.26 -4.91 105.19 105.86 3h1k n GLY 160 Ca 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 45.01 3h1k n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1k s THR 161 N -2.00 0.20 0.28 2.61 -4.23 -1.24 -4.93 115.64 106.33 3h1k s THR 161 Ca 0.00 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 58.74 3h1k s THR 161 Cb 0.00 -1.57 0.27 0.00 1.34 0.00 0.00 72.50 72.54 3h1k s THR 161 CO 0.00 -0.91 1.80 0.00 -0.54 0.00 0.00 174.62 174.97 3h1k h ALA 162 N 3.09 1.48 0.00 3.99 0.00 -1.91 -0.55 119.26 125.36 3h1k h ALA 162 Ca -0.34 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3h1k h ALA 162 Cb 1.15 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3h1k h ALA 162 CO 0.64 0.07 -0.00 -0.07 0.00 0.00 0.00 179.25 179.89 3h1k h LEU 163 N 0.83 0.00 -0.74 0.00 3.38 -1.92 -2.12 115.31 114.74 3h1k h LEU 163 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 3h1k h LEU 163 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3h1k h LEU 163 CO -0.32 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.21 3h1k n ALA 164 N -2.10 2.51 -2.60 1.53 0.00 -0.21 -4.64 120.51 115.00 3h1k n ALA 164 Ca -0.02 -0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 3h1k n ALA 164 Cb 0.11 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 3h1k n ALA 164 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1k s ARG 165 N -1.30 2.74 0.52 0.00 0.52 -0.80 -4.23 118.95 116.40 3h1k s ARG 165 Ca 0.01 -0.57 -0.21 0.00 -0.52 0.00 0.00 55.73 54.43 3h1k s ARG 165 Cb 0.00 -2.60 -0.06 0.00 0.52 0.00 0.00 34.95 32.82 3h1k s ARG 165 CO 0.00 0.65 1.22 0.95 0.02 0.00 0.00 175.30 178.15 3h1k s THR 166 N -0.87 2.73 -0.99 0.02 -4.23 -1.26 -4.91 115.64 106.13 3h1k s THR 166 Ca 0.14 0.51 0.28 0.00 -1.18 0.00 0.00 61.69 61.45 3h1k s THR 166 Cb -0.11 -3.24 0.22 0.00 1.34 0.00 0.00 72.50 70.71 3h1k s THR 166 CO 0.03 -0.04 1.87 0.52 -0.54 0.00 0.00 174.62 176.46 3h1k n VAL 167 N -0.99 0.03 0.97 2.29 0.31 -1.26 -2.67 118.33 117.01 3h1k n VAL 167 Ca 0.10 -0.01 0.11 0.00 -0.01 0.00 0.00 64.34 64.53 3h1k n VAL 167 Cb 0.48 -0.43 0.13 0.00 -0.91 0.00 0.00 33.84 33.10 3h1k n VAL 167 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3h1k n GLU 168 N -1.53 0.02 -0.55 5.55 4.71 -1.26 -4.49 120.64 123.09 3h1k n GLU 168 Ca 0.07 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.29 3h1k n GLU 168 Cb 0.34 -1.51 -0.03 0.00 -1.01 0.00 0.00 31.44 29.24 3h1k n GLU 168 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3h1k n GLY 169 N 1.49 -2.13 3.36 0.62 0.00 -1.09 -4.64 105.19 102.80 3h1k n GLY 169 Ca 0.05 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 3h1k n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1k s THR 170 N -2.36 1.57 0.02 2.61 2.01 -1.26 -4.90 115.64 113.33 3h1k s THR 170 Ca 0.00 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.07 3h1k s THR 170 Cb 0.00 -2.01 -0.24 0.00 0.01 0.00 0.00 72.50 70.26 3h1k s THR 170 CO 0.00 0.00 0.90 0.00 -0.69 0.00 0.00 174.62 174.83 3h1k h THR 171 N -3.16 1.19 0.57 -0.82 1.03 -1.95 -3.21 112.91 106.55 3h1k h THR 171 Ca -0.53 -2.95 -0.03 0.00 -0.01 0.00 0.00 66.41 62.89 3h1k h THR 171 Cb 1.34 2.64 0.01 0.00 -1.07 0.00 0.00 68.15 71.07 3h1k h THR 171 CO 0.39 0.73 -0.27 -0.33 -0.01 0.00 0.00 175.52 176.03 3h1k h GLU 172 N 0.02 -0.73 -0.79 0.00 4.39 -1.98 -2.62 114.58 112.87 3h1k h GLU 172 Ca -0.19 0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.69 3h1k h GLU 172 Cb 1.94 0.17 -0.14 0.00 -0.10 0.00 0.00 28.75 30.62 3h1k h GLU 172 CO 0.11 -0.46 -0.35 -0.91 -1.16 0.00 0.00 179.01 176.24 3h1k h ASN 173 N -1.17 -1.26 -0.89 1.42 4.21 -1.86 0.60 115.58 116.63 3h1k h ASN 173 Ca -0.08 0.27 0.12 0.00 1.21 0.00 0.00 56.30 57.82 3h1k h ASN 173 Cb 0.61 0.65 -0.08 0.00 -1.12 0.00 0.00 38.32 38.38 3h1k h ASN 173 CO 0.13 -0.30 0.51 0.40 -1.29 0.00 0.00 177.43 176.88 3h1k h ILE 174 N -0.08 0.85 -0.34 2.81 5.03 -1.61 0.51 117.51 124.69 3h1k h ILE 174 Ca 0.29 -0.27 -0.06 0.00 -0.12 0.00 0.00 64.86 64.70 3h1k h ILE 174 Cb 0.58 -0.01 -0.02 0.00 -3.03 0.00 0.00 36.82 34.33 3h1k h ILE 174 CO -0.83 0.15 -0.05 0.11 -0.68 0.00 0.00 178.15 176.85 3h1k h LYS 175 N 0.80 0.54 -0.03 2.37 1.57 0.52 -3.33 116.57 119.01 3h1k h LYS 175 Ca 0.45 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3h1k h LYS 175 Cb 0.50 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3h1k h LYS 175 CO -0.29 0.61 0.00 0.72 -0.57 0.00 0.00 179.45 179.92 3h1k n HIS 176 N -4.24 0.03 -1.16 -1.35 8.25 -0.22 -5.04 115.22 111.48 3h1k n HIS 176 Ca 0.01 -0.09 -0.35 0.00 -0.26 0.00 0.00 57.72 57.04 3h1k n HIS 176 Cb 0.28 -0.01 0.10 0.00 1.12 0.00 0.00 29.99 31.48 3h1k n HIS 176 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h1k n LEU 177 N 0.17 2.46 -4.25 2.41 4.77 0.17 -4.99 117.00 117.74 3h1k n LEU 177 Ca 0.03 0.57 -0.17 0.00 -0.03 0.00 0.00 56.01 56.41 3h1k n LEU 177 Cb 0.14 -1.35 -0.11 0.00 -2.33 0.00 0.00 43.42 39.77 3h1k n LEU 177 CO 0.03 -2.48 -0.43 -0.89 -1.33 0.00 0.00 177.39 172.28 3h1k s THR 178 N -2.03 1.29 0.47 -5.08 2.01 -1.26 -4.97 115.64 106.06 3h1k s THR 178 Ca 0.69 -1.86 0.36 0.00 0.31 0.00 0.00 61.69 61.19 3h1k s THR 178 Cb -0.31 -1.66 0.56 0.00 0.01 0.00 0.00 72.50 71.10 3h1k s THR 178 CO 0.55 -0.55 1.60 -0.09 -0.69 0.00 0.00 174.62 175.45 3h1k h ARG 179 N 3.21 0.03 0.00 4.92 1.12 -1.96 0.95 114.38 122.65 3h1k h ARG 179 Ca -0.38 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.48 3h1k h ARG 179 Cb 1.20 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.15 3h1k h ARG 179 CO 0.56 0.02 0.00 0.00 -3.11 0.00 0.00 179.97 177.44 3h1k n ALA 180 N -2.63 -0.22 -0.30 2.80 0.00 -1.26 -2.00 120.51 116.91 3h1k n ALA 180 Ca 0.40 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.93 3h1k n ALA 180 Cb 1.62 0.00 0.25 0.00 0.00 0.00 0.00 19.45 21.32 3h1k n ALA 180 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3h1k h ASP 181 N 0.00 0.47 -0.65 0.00 5.19 -1.32 0.33 116.42 120.44 3h1k h ASP 181 Ca 0.00 0.11 0.09 0.00 -0.62 0.00 0.00 57.03 56.61 3h1k h ASP 181 Cb 0.00 0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.49 3h1k h ASP 181 CO 0.00 0.15 0.29 -0.07 -3.12 0.00 0.00 179.24 176.50 3h1k h LEU 182 N 0.56 0.36 0.36 1.55 3.38 -1.02 0.26 115.31 120.75 3h1k h LEU 182 Ca 0.49 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.51 3h1k h LEU 182 Cb 0.78 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3h1k h LEU 182 CO -0.41 0.21 -0.22 0.00 0.09 0.00 0.00 178.44 178.10 3h1k h ALA 183 N 1.41 -1.06 -0.71 1.53 0.00 0.19 -2.97 119.26 117.65 3h1k h ALA 183 Ca 0.32 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.27 3h1k h ALA 183 Cb 0.35 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.34 3h1k h ALA 183 CO -0.27 -1.05 -0.15 0.45 0.00 0.00 0.00 179.25 178.23 3h1k n SER 184 N -3.69 -0.23 0.24 0.00 2.88 -0.10 -0.19 113.62 112.52 3h1k n SER 184 Ca -0.07 1.23 -0.16 0.00 -1.33 0.00 0.00 58.87 58.54 3h1k n SER 184 Cb 0.23 -0.38 -0.09 0.00 -0.75 0.00 0.00 64.21 63.22 3h1k n SER 184 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3h1k h TYR 185 N 0.00 -1.24 -0.32 0.66 3.20 -0.82 0.68 116.97 119.14 3h1k h TYR 185 Ca 0.35 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.31 3h1k h TYR 185 Cb 0.57 0.49 -0.08 0.00 1.54 0.00 0.00 36.73 39.25 3h1k h TYR 185 CO -0.53 -0.58 -0.21 0.82 -1.64 0.00 0.00 178.16 176.02 3h1k h ILE 186 N -0.86 0.42 0.00 1.81 2.04 -0.89 1.46 117.51 121.50 3h1k h ILE 186 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3h1k h ILE 186 Cb 0.75 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3h1k h ILE 186 CO -0.07 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.55 3h1k n ASP 187 N -5.37 0.00 0.10 1.72 8.00 0.73 0.13 116.55 121.86 3h1k n ASP 187 Ca 0.01 0.90 -0.02 0.00 0.71 0.00 0.00 54.79 56.39 3h1k n ASP 187 Cb 0.28 -0.40 0.24 0.00 -0.02 0.00 0.00 41.12 41.22 3h1k n ASP 187 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3h1k h THR 188 N 0.00 1.29 0.02 -3.53 2.02 0.67 -3.38 112.91 110.00 3h1k h THR 188 Ca 0.00 -1.44 -0.33 0.00 0.77 0.00 0.00 66.41 65.41 3h1k h THR 188 Cb 0.00 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 3h1k h THR 188 CO 0.00 0.43 -1.82 1.41 0.37 0.00 0.00 175.52 175.91 3h1k n HIS 189 N -4.05 0.72 -2.50 3.16 8.25 0.50 -4.69 115.22 116.60 3h1k n HIS 189 Ca -0.01 0.26 -0.41 0.00 -0.26 0.00 0.00 57.72 57.30 3h1k n HIS 189 Cb 0.45 -1.08 -0.01 0.00 1.12 0.00 0.00 29.99 30.48 3h1k n HIS 189 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3h1k s PHE 190 N -2.45 2.65 -0.06 4.41 2.99 0.12 -4.90 117.98 120.73 3h1k s PHE 190 Ca -0.31 -1.29 0.03 0.00 0.00 0.00 0.00 56.93 55.36 3h1k s PHE 190 Cb 0.09 -4.64 0.01 0.00 0.00 0.00 0.00 43.02 38.47 3h1k s PHE 190 CO 0.60 -1.72 -0.16 0.15 -0.00 0.00 0.00 175.22 174.10 3h1k s LYS 191 N 4.59 1.92 0.00 0.44 1.02 -1.26 -4.88 119.74 121.56 3h1k s LYS 191 Ca 0.56 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.01 3h1k s LYS 191 Cb 0.03 -1.58 0.00 0.00 -0.52 0.00 0.00 37.83 35.77 3h1k s LYS 191 CO 0.09 0.12 0.00 0.00 -0.92 0.00 0.00 175.35 174.64 3h1k n ALA 192 N 3.54 0.00 -0.26 5.17 0.00 -1.26 -0.34 120.51 127.36 3h1k n ALA 192 Ca -0.21 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.33 3h1k n ALA 192 Cb 0.52 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.33 3h1k n ALA 192 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3h1k h PRO 193 N 0.00 0.73 -1.75 0.00 0.13 -1.77 -1.39 132.00 127.96 3h1k h PRO 193 Ca 0.00 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.89 3h1k h PRO 193 Cb 0.00 -0.17 -0.08 0.00 0.13 0.00 0.00 31.00 30.88 3h1k h PRO 193 CO 0.00 0.48 0.22 0.54 -0.23 0.00 0.00 178.00 179.01 3h1k n ARG 194 N -4.54 1.53 -3.67 0.86 1.74 0.54 -4.73 116.66 108.39 3h1k n ARG 194 Ca 0.16 -0.97 -0.13 0.00 -0.77 0.00 0.00 57.85 56.14 3h1k n ARG 194 Cb 0.39 -1.42 -0.07 0.00 -1.02 0.00 0.00 32.46 30.35 3h1k n ARG 194 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3h1k s MET 195 N -0.98 0.89 -0.05 5.56 -1.94 -0.53 -2.07 119.30 120.18 3h1k s MET 195 Ca 0.22 -0.28 -0.01 0.00 -1.71 0.00 0.00 55.69 53.90 3h1k s MET 195 Cb 0.16 0.40 0.03 0.00 2.01 0.00 0.00 34.83 37.43 3h1k s MET 195 CO -0.01 -0.30 0.03 0.08 -0.01 0.00 0.00 175.02 174.81 3h1k s VAL 196 N -2.19 0.11 -0.28 -6.03 1.01 -1.17 -3.16 120.40 108.69 3h1k s VAL 196 Ca -0.07 0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 3h1k s VAL 196 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 3h1k s VAL 196 CO -0.00 0.20 0.71 -0.22 0.00 0.00 0.00 175.10 175.79 3h1k s LEU 197 N 1.93 4.09 0.04 3.92 2.96 0.02 -1.12 118.68 130.52 3h1k s LEU 197 Ca 0.03 0.68 0.09 0.00 -0.22 0.00 0.00 54.13 54.71 3h1k s LEU 197 Cb -0.12 -2.96 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 3h1k s LEU 197 CO -0.04 -0.49 -0.26 0.00 -1.32 0.00 0.00 176.35 174.24 3h1k s ALA 198 N 2.72 2.19 -0.03 5.97 0.00 -0.17 -0.75 121.76 131.68 3h1k s ALA 198 Ca 0.29 -1.23 -0.23 0.00 0.00 0.00 0.00 51.96 50.80 3h1k s ALA 198 Cb -0.15 -0.47 0.05 0.00 0.00 0.00 0.00 23.12 22.55 3h1k s ALA 198 CO 0.10 0.52 0.49 0.00 0.00 0.00 0.00 175.76 176.87 3h1k s ALA 199 N -0.78 -1.26 -0.25 0.00 0.00 -0.32 -1.22 121.76 117.93 3h1k s ALA 199 Ca 0.11 0.79 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 3h1k s ALA 199 Cb -0.10 0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.15 3h1k s ALA 199 CO 0.02 -0.32 0.63 0.00 0.00 0.00 0.00 175.76 176.08 3h1k s ALA 200 N -1.32 -1.64 0.00 0.00 0.00 -0.89 -1.38 121.76 116.53 3h1k s ALA 200 Ca -0.12 2.05 0.00 0.00 0.00 0.00 0.00 51.96 53.89 3h1k s ALA 200 Cb -0.03 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.89 3h1k s ALA 200 CO 0.07 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3h1k n GLY 201 N 3.71 -0.18 2.79 0.00 0.00 -0.84 -2.54 105.19 108.12 3h1k n GLY 201 Ca -0.18 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 3h1k n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1k n GLY 202 N 0.00 5.40 2.96 -0.02 0.00 -0.82 0.17 105.19 112.88 3h1k n GLY 202 Ca 0.00 -2.44 -0.16 0.00 0.00 0.00 0.00 46.02 43.41 3h1k n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1k s ILE 203 N -2.42 0.45 -0.12 -0.61 1.01 -1.26 -4.80 121.20 113.45 3h1k s ILE 203 Ca 0.39 -0.24 -0.18 0.00 0.00 0.00 0.00 60.65 60.62 3h1k s ILE 203 Cb 0.12 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 3h1k s ILE 203 CO -0.01 0.13 0.46 -0.55 0.00 0.00 0.00 174.94 174.97 3h1k s SER 204 N -0.09 6.66 0.26 3.58 0.15 -1.26 -4.28 113.70 118.73 3h1k s SER 204 Ca 0.02 0.79 -0.08 0.00 0.70 0.00 0.00 55.95 57.37 3h1k s SER 204 Cb -0.03 -2.28 0.43 0.00 -1.71 0.00 0.00 66.02 62.44 3h1k s SER 204 CO -0.00 0.02 1.60 -0.74 1.20 0.00 0.00 173.24 175.31 3h1k h HIS 205 N 6.68 -0.31 0.00 3.44 2.76 -1.99 -2.28 115.15 123.45 3h1k h HIS 205 Ca -0.41 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 3h1k h HIS 205 Cb 1.18 0.27 0.00 0.00 1.55 0.00 0.00 27.41 30.41 3h1k h HIS 205 CO 0.62 -0.35 0.00 1.63 -1.30 0.00 0.00 177.93 178.53 3h1k n LYS 206 N -5.50 0.00 -0.32 5.26 4.01 -1.26 0.45 118.16 120.81 3h1k n LYS 206 Ca 0.14 0.54 0.05 0.00 -0.51 0.00 0.00 58.31 58.53 3h1k n LYS 206 Cb 0.48 -1.18 0.12 0.00 -0.51 0.00 0.00 35.03 33.94 3h1k n LYS 206 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3h1k n GLU 207 N -1.53 -0.09 0.00 1.97 1.02 -0.97 -1.63 120.64 119.42 3h1k n GLU 207 Ca 0.00 1.37 0.00 0.00 -0.02 0.00 0.00 57.16 58.51 3h1k n GLU 207 Cb 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3h1k n GLU 207 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3h1k n LEU 208 N -5.42 0.00 -0.20 -4.62 7.94 -0.85 -2.78 117.00 111.07 3h1k n LEU 208 Ca 0.14 0.89 0.14 0.00 -1.11 0.00 0.00 56.01 56.07 3h1k n LEU 208 Cb 0.43 -0.39 0.27 0.00 0.53 0.00 0.00 43.42 44.26 3h1k n LEU 208 CO -0.11 -0.39 0.56 0.55 -1.11 0.00 0.00 177.39 176.90 3h1k n VAL 209 N -1.71 -0.26 0.44 1.96 3.14 0.17 -0.26 118.33 121.82 3h1k n VAL 209 Ca 0.00 1.29 -0.17 0.00 -2.96 0.00 0.00 64.34 62.50 3h1k n VAL 209 Cb 0.00 -1.98 -0.08 0.00 -1.06 0.00 0.00 33.84 30.72 3h1k n VAL 209 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3h1k h ASP 210 N 0.00 -0.94 -1.12 6.55 3.32 -1.23 -1.57 116.42 121.43 3h1k h ASP 210 Ca 0.44 0.03 0.39 0.00 0.02 0.00 0.00 57.03 57.91 3h1k h ASP 210 Cb 1.06 0.24 -0.15 0.00 0.22 0.00 0.00 39.33 40.70 3h1k h ASP 210 CO -0.52 -0.67 0.67 0.00 -1.72 0.00 0.00 179.24 177.00 3h1k h ALA 211 N -1.48 2.31 -0.13 3.45 0.00 -0.45 1.22 119.26 124.18 3h1k h ALA 211 Ca -0.11 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3h1k h ALA 211 Cb 0.85 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3h1k h ALA 211 CO 0.19 -0.96 0.01 0.00 0.00 0.00 0.00 179.25 178.49 3h1k h ALA 212 N 1.79 0.17 -0.05 0.00 0.00 -1.22 -1.47 119.26 118.47 3h1k h ALA 212 Ca 0.79 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.55 3h1k h ALA 212 Cb 2.14 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 3h1k h ALA 212 CO -0.56 -0.16 0.12 0.00 0.00 0.00 0.00 179.25 178.64 3h1k h ARG 213 N -0.03 0.00 0.19 0.00 3.08 0.24 0.86 114.38 118.73 3h1k h ARG 213 Ca 0.04 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.74 3h1k h ARG 213 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.38 3h1k h ARG 213 CO 0.00 0.00 -1.71 0.37 -1.07 0.00 0.00 179.97 177.57 3h1k h GLN 214 N 0.00 0.41 0.00 0.04 4.15 0.03 -3.38 115.11 116.36 3h1k h GLN 214 Ca 0.03 -0.70 0.00 0.00 0.77 0.00 0.00 58.65 58.74 3h1k h GLN 214 Cb 0.26 0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.21 3h1k h GLN 214 CO -0.00 1.34 -1.71 0.72 -1.93 0.00 0.00 178.83 177.24 3h1k n HIS 215 N -3.63 0.00 -2.76 3.99 8.25 -0.64 -4.46 115.22 115.97 3h1k n HIS 215 Ca -0.24 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.84 3h1k n HIS 215 Cb 1.07 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.82 3h1k n HIS 215 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3h1k n PHE 216 N -2.05 2.97 0.04 4.41 0.99 0.30 -4.66 117.46 119.46 3h1k n PHE 216 Ca -0.03 -2.87 0.10 0.00 -0.00 0.00 0.00 57.45 54.65 3h1k n PHE 216 Cb 0.43 -1.06 -0.09 0.00 -1.00 0.00 0.00 39.48 37.76 3h1k n PHE 216 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3h1k n SER 217 N 0.09 0.40 -4.52 4.37 3.41 -1.26 -4.59 113.62 111.53 3h1k n SER 217 Ca 0.41 0.16 -0.38 0.00 -0.26 0.00 0.00 58.87 58.79 3h1k n SER 217 Cb 0.30 1.24 -0.12 0.00 -0.26 0.00 0.00 64.21 65.36 3h1k n SER 217 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h1k n GLY 218 N 1.24 -0.29 3.84 5.00 0.00 -1.26 -4.91 105.19 108.81 3h1k n GLY 218 Ca -0.03 0.95 -0.32 0.00 0.00 0.00 0.00 46.02 46.62 3h1k n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1k s VAL 219 N 9.69 4.59 -0.20 1.61 1.01 -1.26 -4.88 120.40 130.95 3h1k s VAL 219 Ca 1.24 1.10 -0.08 0.00 0.00 0.00 0.00 61.98 64.24 3h1k s VAL 219 Cb -0.91 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 3h1k s VAL 219 CO 0.42 -0.31 0.09 -0.94 0.00 0.00 0.00 175.10 174.36 3h1k s SER 220 N -2.42 5.77 0.00 3.32 1.04 -1.26 -5.04 113.70 115.12 3h1k s SER 220 Ca 0.57 0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.09 3h1k s SER 220 Cb -0.10 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.02 3h1k s SER 220 CO 0.19 0.14 0.00 0.49 0.98 0.00 0.00 173.24 175.04 3h1k n PHE 221 N 3.76 0.00 0.00 5.02 3.01 -1.26 -4.96 117.46 123.04 3h1k n PHE 221 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 3h1k n PHE 221 Cb 0.52 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 3h1k n PHE 221 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3h1k n THR 222 N -1.52 0.00 0.00 4.37 -2.24 -1.26 -4.97 114.28 108.66 3h1k n THR 222 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3h1k n THR 222 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3h1k n THR 222 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1k n TYR 223 N 0.00 0.00 -0.05 4.78 0.18 -1.26 -4.74 117.16 116.07 3h1k n TYR 223 Ca 0.00 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.72 3h1k n TYR 223 Cb 0.00 0.00 0.12 0.00 -0.38 0.00 0.00 39.34 39.08 3h1k n TYR 223 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 3h1k h LYS 224 N 0.00 0.68 0.00 -3.48 1.57 -1.94 -1.80 116.57 111.60 3h1k h LYS 224 Ca 0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3h1k h LYS 224 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3h1k h LYS 224 CO 0.00 0.85 0.00 0.39 -0.57 0.00 0.00 179.45 180.12 3h1k n GLU 225 N -4.11 0.36 -0.00 3.15 1.02 -1.26 -0.74 120.64 119.05 3h1k n GLU 225 Ca -0.00 0.08 0.07 0.00 -0.02 0.00 0.00 57.16 57.29 3h1k n GLU 225 Cb 0.43 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 3h1k n GLU 225 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3h1k n ASP 226 N -1.18 1.08 -4.66 1.62 9.92 -0.72 -4.79 116.55 117.82 3h1k n ASP 226 Ca 0.10 -0.43 -0.43 0.00 -0.53 0.00 0.00 54.79 53.50 3h1k n ASP 226 Cb 0.10 1.36 -0.02 0.00 -0.64 0.00 0.00 41.12 41.92 3h1k n ASP 226 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h1k s ALA 227 N -2.75 3.67 -0.47 2.24 0.00 0.08 -5.00 121.76 119.53 3h1k s ALA 227 Ca -0.00 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.92 3h1k s ALA 227 Cb 0.11 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.68 3h1k s ALA 227 CO 0.63 -1.11 0.98 0.54 0.00 0.00 0.00 175.76 176.80 3h1k s VAL 228 N 3.30 4.40 0.04 0.00 0.11 -1.26 -4.99 120.40 121.99 3h1k s VAL 228 Ca 0.46 0.81 -0.32 0.00 -2.93 0.00 0.00 61.98 60.00 3h1k s VAL 228 Cb -0.16 -4.48 -0.11 0.00 -1.53 0.00 0.00 36.38 30.10 3h1k s VAL 228 CO 0.08 -0.91 1.87 -0.81 -3.33 0.00 0.00 175.10 172.01 3h1k n PRO 229 N 7.36 2.58 -3.12 1.54 -0.04 -1.26 -4.96 135.00 137.10 3h1k n PRO 229 Ca 0.07 0.94 -0.39 0.00 -0.04 0.00 0.00 63.50 64.08 3h1k n PRO 229 Cb 0.49 -2.83 -0.05 0.00 -0.04 0.00 0.00 33.50 31.06 3h1k n PRO 229 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3h1k s ILE 230 N 3.51 5.08 0.28 0.52 1.01 -1.26 -5.05 121.20 125.29 3h1k s ILE 230 Ca 0.87 1.31 -0.28 0.00 0.00 0.00 0.00 60.65 62.55 3h1k s ILE 230 Cb -0.55 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 37.85 3h1k s ILE 230 CO 0.43 0.27 0.94 -0.76 0.00 0.00 0.00 174.94 175.82 3h1k s LEU 231 N 0.74 4.50 -0.17 2.97 1.43 -1.26 -5.02 118.68 121.88 3h1k s LEU 231 Ca 0.34 1.89 -0.29 0.00 -1.03 0.00 0.00 54.13 55.04 3h1k s LEU 231 Cb -0.17 -3.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.23 3h1k s LEU 231 CO 0.16 0.05 1.35 -2.16 0.23 0.00 0.00 176.35 175.98 3h1k s PRO 232 N -1.59 4.17 0.84 1.29 0.04 -1.26 -4.97 135.00 133.51 3h1k s PRO 232 Ca 0.45 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 63.06 3h1k s PRO 232 Cb -0.22 -3.83 0.07 0.00 0.04 0.00 0.00 34.50 30.56 3h1k s PRO 232 CO 0.28 -0.81 0.96 2.89 0.04 0.00 0.00 177.00 180.37 3h1k n ARG 233 N 6.83 -0.00 -4.14 4.56 1.85 -1.26 -4.92 116.66 119.57 3h1k n ARG 233 Ca 0.15 0.07 -0.35 0.00 -1.00 0.00 0.00 57.85 56.72 3h1k n ARG 233 Cb 0.45 -2.24 -0.09 0.00 -1.05 0.00 0.00 32.46 29.52 3h1k n ARG 233 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3h1k s ARG 235 N -0.18 4.30 0.32 0.00 3.52 -1.26 -5.03 118.95 120.62 3h1k s ARG 235 Ca 0.07 1.32 -0.27 0.00 -0.13 0.00 0.00 55.73 56.72 3h1k s ARG 235 Cb -0.12 -3.61 -0.10 0.00 -1.56 0.00 0.00 34.95 29.56 3h1k s ARG 235 CO 0.02 -0.51 0.96 0.12 -0.81 0.00 0.00 175.30 175.08 3h1k s PHE 236 N 2.78 3.67 -0.10 5.12 5.36 -1.26 -4.42 117.98 129.13 3h1k s PHE 236 Ca 0.44 1.78 -0.02 0.00 -0.96 0.00 0.00 56.93 58.17 3h1k s PHE 236 Cb -0.16 -2.97 0.04 0.00 -0.34 0.00 0.00 43.02 39.58 3h1k s PHE 236 CO 0.10 0.10 0.02 0.99 -1.46 0.00 0.00 175.22 174.97 3h1k s THR 237 N -1.54 0.35 -0.34 0.12 2.01 -0.36 -5.00 115.64 110.87 3h1k s THR 237 Ca 0.50 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.21 3h1k s THR 237 Cb -0.21 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 3h1k s THR 237 CO 0.26 0.14 1.76 -0.83 -0.69 0.00 0.00 174.62 175.26 3h1k s GLY 238 N 1.97 0.82 0.00 4.40 0.00 -1.26 -4.52 107.32 108.73 3h1k s GLY 238 Ca 0.04 0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.96 3h1k s GLY 238 CO -0.06 3.22 0.00 -1.14 0.00 0.00 0.00 173.10 175.12 3h1k n SER 239 N 10.17 0.00 -3.56 1.64 3.41 -0.61 -4.86 113.62 119.82 3h1k n SER 239 Ca 0.22 -0.35 -0.13 0.00 -0.26 0.00 0.00 58.87 58.35 3h1k n SER 239 Cb 0.47 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 3h1k n SER 239 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3h1k s GLU 240 N -0.06 1.10 -0.04 4.33 -1.05 -1.26 0.27 118.70 121.99 3h1k s GLU 240 Ca 0.00 -0.42 -0.01 0.00 -0.15 0.00 0.00 54.97 54.39 3h1k s GLU 240 Cb 0.00 0.50 0.03 0.00 -0.44 0.00 0.00 34.13 34.22 3h1k s GLU 240 CO 0.00 -0.43 0.06 -1.50 0.95 0.00 0.00 175.26 174.34 3h1k s ILE 241 N -3.10 -0.10 -0.25 1.83 2.07 -0.24 -4.92 121.20 116.48 3h1k s ILE 241 Ca -0.02 0.32 0.02 0.00 -1.41 0.00 0.00 60.65 59.56 3h1k s ILE 241 Cb -0.00 -0.14 0.05 0.00 0.13 0.00 0.00 42.46 42.50 3h1k s ILE 241 CO -0.07 0.13 -0.10 -0.13 -1.91 0.00 0.00 174.94 172.86 3h1k s ARG 242 N 1.65 2.42 -0.54 3.50 0.52 -1.26 -1.91 118.95 123.33 3h1k s ARG 242 Ca -0.02 -1.23 -0.16 0.00 -0.52 0.00 0.00 55.73 53.80 3h1k s ARG 242 Cb -0.12 -2.90 0.13 0.00 0.52 0.00 0.00 34.95 32.58 3h1k s ARG 242 CO -0.03 -0.51 0.50 0.00 0.02 0.00 0.00 175.30 175.27 3h1k s ALA 243 N 1.17 3.64 -0.10 2.13 0.00 0.10 -4.99 121.76 123.71 3h1k s ALA 243 Ca -0.06 -2.54 -0.14 0.00 0.00 0.00 0.00 51.96 49.23 3h1k s ALA 243 Cb -0.19 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 3h1k s ALA 243 CO -0.05 -2.02 0.34 0.50 0.00 0.00 0.00 175.76 174.53 3h1k s ARG 244 N 1.59 4.07 -0.31 0.00 3.52 -1.26 -0.55 118.95 126.01 3h1k s ARG 244 Ca 0.03 0.22 0.04 0.00 -0.13 0.00 0.00 55.73 55.89 3h1k s ARG 244 Cb -0.30 -3.34 0.17 0.00 -1.56 0.00 0.00 34.95 29.93 3h1k s ARG 244 CO 0.03 0.43 0.48 0.34 -0.81 0.00 0.00 175.30 175.77 3h1k s ASP 245 N -0.17 -0.31 0.00 -2.12 -1.08 -0.82 -4.88 116.67 107.29 3h1k s ASP 245 Ca 0.20 -0.37 0.16 0.00 -0.52 0.00 0.00 52.55 52.02 3h1k s ASP 245 Cb -0.14 1.41 0.81 0.00 -1.46 0.00 0.00 42.92 43.54 3h1k s ASP 245 CO 0.08 -0.31 1.49 0.47 0.52 0.00 0.00 175.17 177.41 3h1k n ASP 246 N 5.18 0.00 -0.30 -0.34 8.00 -1.26 -1.86 116.55 125.97 3h1k n ASP 246 Ca 0.04 0.12 0.14 0.00 0.71 0.00 0.00 54.79 55.80 3h1k n ASP 246 Cb 0.51 -0.32 0.59 0.00 -0.02 0.00 0.00 41.12 41.89 3h1k n ASP 246 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1k n ALA 247 N -1.32 2.70 -2.50 2.24 0.00 -1.26 -4.78 120.51 115.59 3h1k n ALA 247 Ca 0.07 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 3h1k n ALA 247 Cb 0.14 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 3h1k n ALA 247 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h1k s LEU 248 N -2.15 4.43 0.12 0.00 2.01 -0.78 -4.96 118.68 117.34 3h1k s LEU 248 Ca 0.36 1.74 -0.24 0.00 0.01 0.00 0.00 54.13 56.00 3h1k s LEU 248 Cb 0.21 -3.58 -0.06 0.00 0.01 0.00 0.00 46.19 42.77 3h1k s LEU 248 CO 0.39 -0.19 1.66 1.55 1.01 0.00 0.00 176.35 180.78 3h1k h PRO 249 N 6.25 -0.27 0.00 1.29 0.13 -1.89 -3.40 132.00 134.10 3h1k h PRO 249 Ca -0.42 0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.20 3h1k h PRO 249 Cb 1.22 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 3h1k h PRO 249 CO 0.74 -0.18 -0.40 1.33 -0.23 0.00 0.00 178.00 179.26 3h1k n VAL 250 N -5.31 0.00 -4.30 1.56 0.24 -1.26 -4.70 118.33 104.56 3h1k n VAL 250 Ca -0.05 -2.01 -0.22 0.00 -2.04 0.00 0.00 64.34 60.03 3h1k n VAL 250 Cb 0.23 0.48 -0.13 0.00 -1.47 0.00 0.00 33.84 32.95 3h1k n VAL 250 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h1k s ALA 251 N -2.78 1.51 0.03 2.33 0.00 0.47 -4.29 121.76 119.02 3h1k s ALA 251 Ca 0.05 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 50.98 3h1k s ALA 251 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3h1k s ALA 251 CO 0.03 0.28 -0.16 -1.01 0.00 0.00 0.00 175.76 174.91 3h1k s HIS 252 N -1.11 2.63 -0.06 0.00 3.76 -0.61 -0.70 115.29 119.21 3h1k s HIS 252 Ca 0.03 -0.21 -0.02 0.00 -0.15 0.00 0.00 55.06 54.71 3h1k s HIS 252 Cb -0.10 -1.50 0.04 0.00 1.11 0.00 0.00 32.58 32.13 3h1k s HIS 252 CO 0.03 0.27 0.13 0.08 -0.85 0.00 0.00 174.74 174.40 3h1k s VAL 253 N -0.93 -0.05 -0.10 -0.90 1.01 -0.44 -1.76 120.40 117.23 3h1k s VAL 253 Ca 0.15 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3h1k s VAL 253 Cb -0.11 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.07 3h1k s VAL 253 CO 0.05 0.08 -0.12 0.00 0.00 0.00 0.00 175.10 175.11 3h1k s ALA 254 N 1.18 1.44 -0.04 5.51 0.00 0.15 -1.67 121.76 128.32 3h1k s ALA 254 Ca -0.09 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.35 3h1k s ALA 254 Cb -0.12 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 3h1k s ALA 254 CO -0.06 -0.12 -0.18 -1.17 0.00 0.00 0.00 175.76 174.23 3h1k s LEU 255 N 1.11 1.95 0.24 0.00 2.96 -0.46 -0.20 118.68 124.27 3h1k s LEU 255 Ca -0.06 -0.37 -0.18 0.00 -0.22 0.00 0.00 54.13 53.31 3h1k s LEU 255 Cb -0.14 -1.02 0.02 0.00 0.50 0.00 0.00 46.19 45.55 3h1k s LEU 255 CO -0.02 0.17 0.59 0.00 -1.32 0.00 0.00 176.35 175.77 3h1k s ALA 256 N -0.05 -0.89 0.17 5.97 0.00 -0.75 -0.96 121.76 125.26 3h1k s ALA 256 Ca -0.02 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.60 3h1k s ALA 256 Cb -0.11 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 3h1k s ALA 256 CO 0.02 -0.91 -0.13 0.14 0.00 0.00 0.00 175.76 174.88 3h1k s VAL 257 N -3.92 1.48 0.29 0.00 -7.23 0.17 -0.67 120.40 110.51 3h1k s VAL 257 Ca 0.13 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 57.90 3h1k s VAL 257 Cb -0.03 -1.92 -0.10 0.00 0.56 0.00 0.00 36.38 34.89 3h1k s VAL 257 CO 0.04 -0.63 1.46 -0.70 -0.31 0.00 0.00 175.10 174.96 3h1k s GLU 258 N -3.58 4.23 0.75 4.82 2.12 -1.26 -1.13 118.70 124.64 3h1k s GLU 258 Ca 0.19 2.39 -0.04 0.00 0.36 0.00 0.00 54.97 57.87 3h1k s GLU 258 Cb 0.00 -3.07 0.13 0.00 0.26 0.00 0.00 34.13 31.45 3h1k s GLU 258 CO 0.04 -0.45 1.04 0.20 -0.54 0.00 0.00 175.26 175.55 3h1k s GLY 259 N 0.20 1.76 0.21 -1.50 0.00 0.52 -4.75 107.32 103.77 3h1k s GLY 259 Ca 0.58 -1.55 0.23 0.00 0.00 0.00 0.00 44.72 43.98 3h1k s GLY 259 CO 0.48 -0.97 1.09 -0.56 0.00 0.00 0.00 173.10 173.14 3h1k h PRO 260 N -0.69 0.00 0.00 2.90 0.13 -1.86 -3.33 132.00 129.14 3h1k h PRO 260 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3h1k h PRO 260 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3h1k h PRO 260 CO 0.42 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.60 3h1k n GLY 261 N 1.19 1.61 0.27 1.56 0.00 0.14 -4.50 105.19 105.44 3h1k n GLY 261 Ca 0.00 -1.59 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 3h1k n GLY 261 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3h1k n TRP 262 N 1.66 -0.12 0.00 1.61 5.03 0.34 -2.64 117.44 123.32 3h1k n TRP 262 Ca 0.00 0.82 0.00 0.00 3.03 0.00 0.00 57.50 61.35 3h1k n TRP 262 Cb 0.00 -0.66 0.00 0.00 -1.03 0.00 0.00 31.31 29.62 3h1k n TRP 262 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3h1k n ALA 263 N -3.58 -0.13 -0.99 6.99 0.00 -1.26 -4.73 120.51 116.80 3h1k n ALA 263 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.10 3h1k n ALA 263 Cb 0.22 0.36 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 3h1k n ALA 263 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3h1k n ASP 264 N -2.71 0.24 -0.22 0.00 -0.08 -1.08 -4.87 116.55 107.83 3h1k n ASP 264 Ca 0.00 0.73 -0.06 0.00 -1.51 0.00 0.00 54.79 53.95 3h1k n ASP 264 Cb 0.00 -0.57 0.08 0.00 2.34 0.00 0.00 41.12 42.97 3h1k n ASP 264 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3h1k h PRO 265 N 2.29 1.06 -0.18 -0.67 0.11 -1.89 -2.94 132.00 129.77 3h1k h PRO 265 Ca -0.31 -0.25 0.05 0.00 0.11 0.00 0.00 66.00 65.60 3h1k h PRO 265 Cb 0.88 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3h1k h PRO 265 CO 0.47 0.95 0.54 -0.44 -0.21 0.00 0.00 178.00 179.31 3h1k h ASP 266 N 1.00 0.00 -1.00 -2.05 3.32 -1.96 0.41 116.42 116.14 3h1k h ASP 266 Ca 0.21 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.49 3h1k h ASP 266 Cb 0.38 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.84 3h1k h ASP 266 CO 0.00 0.00 0.64 0.78 -1.72 0.00 0.00 179.24 178.94 3h1k h ASN 267 N 0.00 0.51 0.78 6.45 2.35 -1.87 0.31 115.58 124.12 3h1k h ASN 267 Ca 0.09 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3h1k h ASN 267 Cb 1.17 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.52 3h1k h ASN 267 CO -0.00 0.15 -0.46 0.58 -1.65 0.00 0.00 177.43 176.05 3h1k h VAL 268 N 0.48 0.08 -0.08 2.81 2.07 -0.43 -1.16 116.25 120.01 3h1k h VAL 268 Ca 0.56 0.00 0.02 0.00 0.82 0.00 0.00 66.70 68.10 3h1k h VAL 268 Cb 1.29 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3h1k h VAL 268 CO -0.28 0.00 -0.38 0.58 0.02 0.00 0.00 177.57 177.50 3h1k h VAL 269 N -1.15 0.00 -1.20 2.57 2.07 -0.94 0.28 116.25 117.88 3h1k h VAL 269 Ca -0.10 0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.85 3h1k h VAL 269 Cb 0.92 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.55 3h1k h VAL 269 CO 0.12 0.00 0.75 0.18 0.02 0.00 0.00 177.57 178.64 3h1k n LEU 270 N -4.57 0.23 -0.03 2.57 4.77 0.83 0.15 117.00 120.94 3h1k n LEU 270 Ca -0.04 1.36 -0.15 0.00 -0.03 0.00 0.00 56.01 57.15 3h1k n LEU 270 Cb 0.27 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 3h1k n LEU 270 CO 0.06 -1.49 0.47 0.45 -1.33 0.00 0.00 177.39 175.55 3h1k h HIS 271 N 0.00 0.42 -0.96 -1.77 3.86 0.78 -1.10 115.15 116.37 3h1k h HIS 271 Ca 0.82 -0.17 0.17 0.00 -1.16 0.00 0.00 60.37 60.02 3h1k h HIS 271 Cb 2.52 -0.07 -0.09 0.00 1.06 0.00 0.00 27.41 30.83 3h1k h HIS 271 CO -0.01 0.89 0.61 0.28 0.86 0.00 0.00 177.93 180.56 3h1k h VAL 272 N -0.18 0.77 0.42 2.45 2.07 0.31 0.14 116.25 122.23 3h1k h VAL 272 Ca -0.01 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3h1k h VAL 272 Cb 0.91 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3h1k h VAL 272 CO 0.06 0.13 -0.20 0.00 0.02 0.00 0.00 177.57 177.57 3h1k h ALA 273 N 1.61 -1.05 -1.41 1.67 0.00 -0.63 -2.02 119.26 117.42 3h1k h ALA 273 Ca 0.51 -0.12 0.41 0.00 0.00 0.00 0.00 54.91 55.70 3h1k h ALA 273 Cb 0.85 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3h1k h ALA 273 CO -0.27 -1.01 1.17 -0.91 0.00 0.00 0.00 179.25 178.22 3h1k h ASN 274 N -0.61 0.00 0.08 0.00 -0.26 0.08 1.62 115.58 116.49 3h1k h ASN 274 Ca -0.06 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.61 3h1k h ASN 274 Cb 0.44 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 3h1k h ASN 274 CO 0.10 0.00 -0.23 0.00 -1.06 0.00 0.00 177.43 176.24 3h1k h ALA 275 N 0.99 1.35 -0.15 -0.83 0.00 -0.03 0.27 119.26 120.85 3h1k h ALA 275 Ca 0.67 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 55.10 3h1k h ALA 275 Cb 3.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 20.70 3h1k h ALA 275 CO -0.01 0.45 -0.65 0.82 0.00 0.00 0.00 179.25 179.86 3h1k h ILE 276 N 0.23 1.31 0.00 0.00 2.04 0.26 -3.10 117.51 118.25 3h1k h ILE 276 Ca 0.04 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.02 3h1k h ILE 276 Cb 0.54 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3h1k h ILE 276 CO 0.04 0.59 -0.26 -0.38 0.00 0.00 0.00 178.15 178.13 3h1k n ILE 277 N -4.05 0.41 -0.07 -0.67 5.41 -1.10 -4.53 119.36 114.76 3h1k n ILE 277 Ca -0.07 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.44 3h1k n ILE 277 Cb 0.68 -0.36 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 3h1k n ILE 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h1k n GLY 278 N 1.35 1.26 3.42 7.39 0.00 0.92 -4.70 105.19 114.82 3h1k n GLY 278 Ca 0.05 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 3h1k n GLY 278 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h1k s ARG 279 N 0.00 1.25 -0.11 1.61 1.70 -1.26 -2.99 118.95 119.15 3h1k s ARG 279 Ca 0.00 -1.01 -0.30 0.00 -0.47 0.00 0.00 55.73 53.95 3h1k s ARG 279 Cb 0.00 0.45 0.08 0.00 -0.57 0.00 0.00 34.95 34.91 3h1k s ARG 279 CO 0.00 -0.49 0.76 -0.47 -1.08 0.00 0.00 175.30 174.02 3h1k s TYR 280 N -3.91 -0.61 0.02 5.89 5.04 -0.70 -4.96 117.35 118.12 3h1k s TYR 280 Ca 0.13 1.15 -0.05 0.00 -2.44 0.00 0.00 57.07 55.86 3h1k s TYR 280 Cb 0.01 0.40 -0.01 0.00 0.35 0.00 0.00 41.96 42.71 3h1k s TYR 280 CO -0.02 -0.51 0.08 0.16 -1.34 0.00 0.00 175.55 173.92 3h1k s ASP 281 N -0.88 0.16 0.00 4.32 1.47 -1.26 -0.83 116.67 119.64 3h1k s ASP 281 Ca -0.07 -0.45 0.00 0.00 1.18 0.00 0.00 52.55 53.21 3h1k s ASP 281 Cb -0.01 0.20 0.00 0.00 -0.34 0.00 0.00 42.92 42.76 3h1k s ASP 281 CO 0.06 -0.43 0.68 0.54 0.68 0.00 0.00 175.17 176.70 3h1k n ARG 282 N 1.09 0.00 0.00 2.11 1.74 -0.14 -1.35 116.66 120.11 3h1k n ARG 282 Ca -0.21 0.23 0.11 0.00 -0.77 0.00 0.00 57.85 57.21 3h1k n ARG 282 Cb 0.57 -1.64 0.04 0.00 -1.02 0.00 0.00 32.46 30.41 3h1k n ARG 282 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3h1k n THR 283 N -1.18 0.00 -1.76 0.55 -2.24 -1.26 -4.92 114.28 103.47 3h1k n THR 283 Ca 0.00 -0.34 -0.40 0.00 -2.27 0.00 0.00 64.05 61.04 3h1k n THR 283 Cb 0.14 1.33 0.02 0.00 -2.10 0.00 0.00 70.33 69.71 3h1k n THR 283 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3h1k n PHE 284 N 0.46 2.72 0.05 4.78 3.01 -0.46 -4.89 117.46 123.13 3h1k n PHE 284 Ca 0.11 0.44 -0.02 0.00 1.01 0.00 0.00 57.45 59.00 3h1k n PHE 284 Cb 0.51 -2.47 -0.07 0.00 -0.01 0.00 0.00 39.48 37.44 3h1k n PHE 284 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3h1k h GLY 285 N 2.39 0.00 1.97 1.37 0.00 -1.91 -3.33 103.07 103.56 3h1k h GLY 285 Ca -0.51 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 3h1k h GLY 285 CO 0.61 0.00 0.02 -1.33 0.00 0.00 0.00 176.54 175.84 3h1k h GLY 286 N 3.54 0.04 0.00 4.60 0.00 -1.98 -3.46 103.07 105.82 3h1k h GLY 286 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3h1k h GLY 286 CO 0.07 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.23 3h1k n GLY 287 N -1.52 1.78 0.04 4.60 0.00 -1.25 -1.11 105.19 107.73 3h1k n GLY 287 Ca -0.03 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.76 3h1k n GLY 287 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3h1k n LYS 288 N 14.00 0.01 0.00 1.61 2.85 -1.26 -0.60 118.16 134.78 3h1k n LYS 288 Ca 0.00 0.25 0.10 0.00 -1.05 0.00 0.00 58.31 57.61 3h1k n LYS 288 Cb 0.00 -1.92 -0.08 0.00 -0.65 0.00 0.00 35.03 32.38 3h1k n LYS 288 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3h1k n HIS 289 N -1.35 0.00 -0.93 5.58 8.25 -0.26 -4.87 115.22 121.64 3h1k n HIS 289 Ca -0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 3h1k n HIS 289 Cb 0.38 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.56 3h1k n HIS 289 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h1k n LEU 290 N -1.05 -3.51 0.01 2.41 4.77 0.23 -4.93 117.00 114.94 3h1k n LEU 290 Ca 0.05 0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 56.27 3h1k n LEU 290 Cb 0.36 -0.95 -0.11 0.00 -2.33 0.00 0.00 43.42 40.39 3h1k n LEU 290 CO 0.38 -4.99 -0.42 -1.20 -1.33 0.00 0.00 177.39 169.82 3h1k n SER 291 N 1.47 0.81 -4.59 -1.43 7.64 -1.26 -4.67 113.62 111.58 3h1k n SER 291 Ca 0.02 0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.84 3h1k n SER 291 Cb 0.55 0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.88 3h1k n SER 291 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3h1k s SER 292 N -5.84 6.03 0.30 6.43 0.15 -1.26 -4.86 113.70 114.65 3h1k s SER 292 Ca -0.04 0.97 0.05 0.00 0.70 0.00 0.00 55.95 57.64 3h1k s SER 292 Cb 0.08 -2.53 0.82 0.00 -1.71 0.00 0.00 66.02 62.68 3h1k s SER 292 CO 0.82 -1.66 1.64 0.03 1.20 0.00 0.00 173.24 175.27 3h1k h ARG 293 N 12.08 0.20 -0.66 5.44 3.08 -1.87 0.90 114.38 133.55 3h1k h ARG 293 Ca -0.30 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 3h1k h ARG 293 Cb 1.14 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 3h1k h ARG 293 CO 1.08 0.13 0.31 1.25 -1.07 0.00 0.00 179.97 181.67 3h1k h LEU 294 N 0.20 0.85 0.00 3.04 5.85 -1.89 -1.96 115.31 121.40 3h1k h LEU 294 Ca 0.61 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.24 3h1k h LEU 294 Cb 1.29 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3h1k h LEU 294 CO -0.68 0.72 0.00 0.00 -0.34 0.00 0.00 178.44 178.15 3h1k n ALA 295 N -2.44 -0.33 -0.25 1.25 0.00 0.30 -1.58 120.51 117.46 3h1k n ALA 295 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 3h1k n ALA 295 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 3h1k n ALA 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1k n ALA 296 N -1.50 -0.34 -0.21 0.00 0.00 -0.59 0.14 120.51 118.02 3h1k n ALA 296 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3h1k n ALA 296 Cb 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 19.45 19.44 3h1k n ALA 296 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h1k h LEU 297 N 0.00 0.27 -1.38 0.00 3.38 -1.40 0.42 115.31 116.59 3h1k h LEU 297 Ca 0.12 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3h1k h LEU 297 Cb 0.27 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3h1k h LEU 297 CO -0.58 0.16 0.22 0.00 0.09 0.00 0.00 178.44 178.32 3h1k h ALA 298 N 1.42 1.17 0.00 1.53 0.00 0.23 0.73 119.26 124.34 3h1k h ALA 298 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.80 3h1k h ALA 298 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3h1k h ALA 298 CO -0.30 -0.17 -2.42 0.28 0.00 0.00 0.00 179.25 176.64 3h1k n VAL 299 N -2.35 1.39 0.09 0.00 0.31 0.10 -1.49 118.33 116.38 3h1k n VAL 299 Ca -0.01 -0.36 0.05 0.00 -0.01 0.00 0.00 64.34 64.01 3h1k n VAL 299 Cb 0.25 -1.83 0.28 0.00 -0.91 0.00 0.00 33.84 31.64 3h1k n VAL 299 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3h1k n GLU 300 N -4.10 0.07 0.00 5.55 2.13 0.11 -2.18 120.64 122.21 3h1k n GLU 300 Ca -0.50 0.54 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3h1k n GLU 300 Cb 0.86 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.78 3h1k n GLU 300 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3h1k n HIS 301 N -1.85 0.00 -2.90 4.31 8.25 0.14 -5.01 115.22 118.16 3h1k n HIS 301 Ca -0.01 -0.01 -0.20 0.00 -0.26 0.00 0.00 57.72 57.25 3h1k n HIS 301 Cb 0.08 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.22 3h1k n HIS 301 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3h1k n LYS 302 N -0.01 -4.21 -0.34 -0.41 4.76 -0.93 -4.91 118.16 112.11 3h1k n LYS 302 Ca 0.00 0.81 0.13 0.00 -2.87 0.00 0.00 58.31 56.37 3h1k n LYS 302 Cb 0.25 -5.43 0.31 0.00 -1.84 0.00 0.00 35.03 28.32 3h1k n LYS 302 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3h1k h LEU 303 N -1.18 0.68 0.00 -0.35 3.38 -1.47 -3.47 115.31 112.90 3h1k h LEU 303 Ca -0.47 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3h1k h LEU 303 Cb 1.32 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3h1k h LEU 303 CO 0.50 0.22 0.00 0.00 0.09 0.00 0.00 178.44 179.25 3h1k n HIS 305 N 0.00 0.00 -3.48 0.00 8.25 -0.46 -4.91 115.22 114.62 3h1k n HIS 305 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3h1k n HIS 305 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3h1k n HIS 305 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3h1k s SER 306 N -4.12 -0.51 0.03 0.41 1.04 -1.21 -0.97 113.70 108.36 3h1k s SER 306 Ca 0.00 0.20 -0.28 0.00 0.48 0.00 0.00 55.95 56.35 3h1k s SER 306 Cb 0.00 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.69 3h1k s SER 306 CO 0.00 -0.73 0.65 0.72 0.98 0.00 0.00 173.24 174.85 3h1k s PHE 307 N -2.75 -0.61 -0.09 5.02 -0.12 -0.01 -0.13 117.98 119.29 3h1k s PHE 307 Ca -0.01 0.81 -0.18 0.00 -0.05 0.00 0.00 56.93 57.50 3h1k s PHE 307 Cb -0.01 0.46 0.04 0.00 -0.63 0.00 0.00 43.02 42.89 3h1k s PHE 307 CO -0.05 -0.70 0.44 1.14 -0.05 0.00 0.00 175.22 176.00 3h1k s GLN 308 N -2.18 0.68 -0.13 1.99 -2.07 0.66 -1.72 119.66 116.90 3h1k s GLN 308 Ca -0.06 0.25 -0.08 0.00 -1.82 0.00 0.00 55.36 53.65 3h1k s GLN 308 Cb -0.00 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 3h1k s GLN 308 CO 0.01 -0.16 0.15 0.95 -1.32 0.00 0.00 175.29 174.92 3h1k s THR 309 N -0.63 5.47 0.01 3.63 -4.23 -1.16 -1.13 115.64 117.61 3h1k s THR 309 Ca -0.07 0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.68 3h1k s THR 309 Cb -0.03 -3.43 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 3h1k s THR 309 CO 0.04 0.58 -0.04 0.72 -0.54 0.00 0.00 174.62 175.38 3h1k s PHE 310 N -0.75 0.34 -0.56 3.99 -0.71 -0.99 -4.99 117.98 114.31 3h1k s PHE 310 Ca 0.14 -0.26 0.06 0.00 -1.04 0.00 0.00 56.93 55.83 3h1k s PHE 310 Cb -0.12 -0.22 0.22 0.00 -1.21 0.00 0.00 43.02 41.70 3h1k s PHE 310 CO 0.03 -0.06 0.58 -1.71 -1.34 0.00 0.00 175.22 172.72 3h1k n ASN 311 N 2.35 2.15 -4.73 1.98 5.15 -1.26 -2.29 115.26 118.61 3h1k n ASN 311 Ca -0.17 -3.07 -0.42 0.00 -0.60 0.00 0.00 54.58 50.32 3h1k n ASN 311 Cb 0.57 -0.67 -0.03 0.00 -0.53 0.00 0.00 39.78 39.13 3h1k n ASN 311 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3h1k s THR 312 N -1.61 3.22 -0.11 -0.44 2.01 -0.53 -4.92 115.64 113.27 3h1k s THR 312 Ca 0.35 0.93 0.03 0.00 0.31 0.00 0.00 61.69 63.31 3h1k s THR 312 Cb 0.10 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 69.02 3h1k s THR 312 CO -0.09 0.10 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.28 3h1k s SER 313 N 0.77 2.92 0.40 3.53 0.01 -1.26 -1.10 113.70 118.97 3h1k s SER 313 Ca 0.61 -0.54 0.08 0.00 1.31 0.00 0.00 55.95 57.41 3h1k s SER 313 Cb -0.37 -1.34 -0.05 0.00 0.21 0.00 0.00 66.02 64.47 3h1k s SER 313 CO 0.34 0.12 0.16 -0.31 0.41 0.00 0.00 173.24 173.96 3h1k s TYR 314 N 0.54 2.61 0.15 2.43 4.12 -0.93 -4.72 117.35 121.55 3h1k s TYR 314 Ca -0.15 -0.56 -0.31 0.00 0.02 0.00 0.00 57.07 56.07 3h1k s TYR 314 Cb -0.17 -1.90 -0.08 0.00 -1.52 0.00 0.00 41.96 38.29 3h1k s TYR 314 CO 0.05 0.22 1.54 0.66 0.02 0.00 0.00 175.55 178.04 3h1k h SER 315 N 1.47 -2.07 -0.02 2.29 4.64 -1.96 0.10 113.55 117.99 3h1k h SER 315 Ca -0.43 0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3h1k h SER 315 Cb 1.25 0.90 0.00 0.00 -0.31 0.00 0.00 62.40 64.24 3h1k h SER 315 CO 0.69 -0.28 -0.01 -0.90 -0.87 0.00 0.00 176.83 175.46 3h1k n ASP 316 N -5.27 2.05 0.00 4.97 5.75 -1.26 -3.63 116.55 119.15 3h1k n ASP 316 Ca 0.00 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 3h1k n ASP 316 Cb 0.28 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3h1k n ASP 316 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 3h1k n THR 317 N 0.68 0.00 0.00 2.12 5.66 -1.18 -4.60 114.28 116.96 3h1k n THR 317 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 3h1k n THR 317 Cb 0.32 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 3h1k n THR 317 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h1k n GLY 318 N 0.00 2.95 3.05 1.09 0.00 -1.25 0.23 105.19 111.26 3h1k n GLY 318 Ca 0.00 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 3h1k n GLY 318 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1k s LEU 319 N 0.00 1.71 -0.14 0.99 1.43 -0.26 0.19 118.68 122.60 3h1k s LEU 319 Ca 0.00 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 3h1k s LEU 319 Cb 0.00 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 3h1k s LEU 319 CO 0.00 -0.01 -0.16 0.12 0.23 0.00 0.00 176.35 176.54 3h1k s PHE 320 N 1.13 2.76 -0.23 0.29 5.36 -0.29 -1.45 117.98 125.56 3h1k s PHE 320 Ca -0.03 -0.93 0.00 0.00 -0.96 0.00 0.00 56.93 55.01 3h1k s PHE 320 Cb -0.14 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.68 3h1k s PHE 320 CO -0.04 -0.39 0.00 0.41 -1.46 0.00 0.00 175.22 173.74 3h1k n GLY 321 N 3.84 -0.92 3.43 13.12 0.00 -0.97 0.43 105.19 124.13 3h1k n GLY 321 Ca -0.19 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 3h1k n GLY 321 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h1k s PHE 322 N -4.00 -0.52 -0.07 1.61 -0.12 -0.14 -2.35 117.98 112.40 3h1k s PHE 322 Ca 0.00 0.34 -0.03 0.00 -0.05 0.00 0.00 56.93 57.19 3h1k s PHE 322 Cb 0.00 0.55 0.04 0.00 -0.63 0.00 0.00 43.02 42.98 3h1k s PHE 322 CO 0.00 -0.81 0.15 -1.58 -0.05 0.00 0.00 175.22 172.93 3h1k s HIS 323 N -3.59 -0.17 0.13 3.49 2.46 -0.28 -1.36 115.29 115.97 3h1k s HIS 323 Ca 0.01 0.50 0.05 0.00 0.47 0.00 0.00 55.06 56.10 3h1k s HIS 323 Cb -0.01 -0.09 -0.04 0.00 -0.13 0.00 0.00 32.58 32.31 3h1k s HIS 323 CO -0.12 -0.18 -0.12 -0.59 -2.47 0.00 0.00 174.74 171.27 3h1k s PHE 324 N 1.24 1.32 0.09 3.88 -0.12 -0.67 -0.24 117.98 123.48 3h1k s PHE 324 Ca -0.09 -0.64 0.09 0.00 -0.05 0.00 0.00 56.93 56.25 3h1k s PHE 324 Cb -0.12 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.56 3h1k s PHE 324 CO -0.06 0.12 -0.23 0.08 -0.05 0.00 0.00 175.22 175.08 3h1k s VAL 325 N -2.66 2.49 0.02 -2.49 1.01 0.81 -1.32 120.40 118.26 3h1k s VAL 325 Ca 0.12 -1.48 -0.29 0.00 0.00 0.00 0.00 61.98 60.33 3h1k s VAL 325 Cb -0.02 -2.07 0.10 0.00 0.00 0.00 0.00 36.38 34.39 3h1k s VAL 325 CO 0.02 0.21 1.16 0.00 0.00 0.00 0.00 175.10 176.49 3h1k s ALA 326 N -0.99 -2.02 0.57 5.51 0.00 0.13 -1.36 121.76 123.59 3h1k s ALA 326 Ca 0.15 0.61 -0.19 0.00 0.00 0.00 0.00 51.96 52.53 3h1k s ALA 326 Cb -0.10 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 3h1k s ALA 326 CO 0.06 -0.99 1.13 -0.51 0.00 0.00 0.00 175.76 175.44 3h1k s ASP 327 N -2.87 5.59 0.59 0.00 1.01 -1.26 -0.40 116.67 119.33 3h1k s ASP 327 Ca 0.13 2.14 0.29 0.00 0.71 0.00 0.00 52.55 55.82 3h1k s ASP 327 Cb 0.02 -2.58 1.42 0.00 1.01 0.00 0.00 42.92 42.79 3h1k s ASP 327 CO -0.02 -1.30 1.82 1.55 0.21 0.00 0.00 175.17 177.42 3h1k h PRO 328 N 0.96 0.00 -0.26 8.23 0.13 -1.84 -2.17 132.00 137.05 3h1k h PRO 328 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3h1k h PRO 328 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3h1k h PRO 328 CO 0.56 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.61 3h1k n LEU 329 N -3.63 3.16 0.00 1.56 4.32 -1.26 -4.24 117.00 116.91 3h1k n LEU 329 Ca 0.10 -1.37 0.00 0.00 -0.02 0.00 0.00 56.01 54.73 3h1k n LEU 329 Cb 0.78 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 3h1k n LEU 329 CO 0.27 0.65 0.18 -1.54 -1.22 0.00 0.00 177.39 175.72 3h1k n SER 330 N 1.30 0.71 -0.12 -1.43 3.41 -0.83 -4.76 113.62 111.91 3h1k n SER 330 Ca 0.16 -0.86 -0.13 0.00 -0.26 0.00 0.00 58.87 57.78 3h1k n SER 330 Cb 0.56 0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 64.70 3h1k n SER 330 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3h1k h ILE 331 N 0.00 0.00 0.00 -1.33 2.04 -1.70 -1.55 117.51 114.97 3h1k h ILE 331 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3h1k h ILE 331 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 3h1k h ILE 331 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.48 3h1k n ASP 332 N -5.22 0.00 -0.33 1.72 2.03 -1.26 -0.45 116.55 113.04 3h1k n ASP 332 Ca -0.04 0.88 -0.00 0.00 0.52 0.00 0.00 54.79 56.15 3h1k n ASP 332 Cb 0.32 -0.38 0.04 0.00 -0.72 0.00 0.00 41.12 40.39 3h1k n ASP 332 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3h1k n ASP 333 N -2.17 -0.54 0.06 1.67 8.00 -1.17 -0.44 116.55 121.97 3h1k n ASP 333 Ca 0.00 1.51 -0.12 0.00 0.71 0.00 0.00 54.79 56.89 3h1k n ASP 333 Cb 0.00 -0.36 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 3h1k n ASP 333 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3h1k h MET 334 N 0.00 -0.51 -0.31 -1.24 4.05 -0.52 0.91 114.93 117.31 3h1k h MET 334 Ca 0.31 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.80 3h1k h MET 334 Cb 0.53 0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 31.38 3h1k h MET 334 CO -0.86 -0.34 -0.45 1.98 0.23 0.00 0.00 176.91 177.47 3h1k h MET 335 N -0.53 -0.32 -0.46 0.39 1.85 0.13 0.11 114.93 116.10 3h1k h MET 335 Ca 0.00 0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.15 3h1k h MET 335 Cb 0.54 0.07 -0.06 0.00 0.43 0.00 0.00 31.60 32.59 3h1k h MET 335 CO -0.23 -0.21 -0.27 0.34 -0.40 0.00 0.00 176.91 176.13 3h1k n PHE 336 N -4.84 -0.20 -0.31 1.39 7.35 0.42 0.65 117.46 121.92 3h1k n PHE 336 Ca -0.03 0.58 0.06 0.00 -0.76 0.00 0.00 57.45 57.30 3h1k n PHE 336 Cb 0.28 -0.50 0.22 0.00 0.35 0.00 0.00 39.48 39.83 3h1k n PHE 336 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3h1k h ALA 338 N 1.53 -1.29 -0.93 0.00 0.00 0.27 0.61 119.26 119.45 3h1k h ALA 338 Ca 0.46 -0.25 0.25 0.00 0.00 0.00 0.00 54.91 55.37 3h1k h ALA 338 Cb 0.56 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 3h1k h ALA 338 CO -0.32 -1.21 0.65 1.96 0.00 0.00 0.00 179.25 180.33 3h1k h GLN 339 N -1.13 0.14 0.33 0.00 4.20 -0.50 0.34 115.11 118.48 3h1k h GLN 339 Ca -0.11 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3h1k h GLN 339 Cb 0.86 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.61 3h1k h GLN 339 CO 0.19 0.09 -0.16 0.78 -0.67 0.00 0.00 178.83 179.06 3h1k h GLY 340 N 0.15 -0.50 -0.65 3.46 0.00 -0.14 -1.23 103.07 104.15 3h1k h GLY 340 Ca 0.46 0.19 0.14 0.00 0.00 0.00 0.00 47.33 48.12 3h1k h GLY 340 CO -0.08 -0.18 -0.29 0.83 0.00 0.00 0.00 176.54 176.82 3h1k h GLU 341 N -0.45 -0.05 -0.79 4.80 4.39 0.85 1.03 114.58 124.36 3h1k h GLU 341 Ca -0.04 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.80 3h1k h GLU 341 Cb 0.34 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 28.86 3h1k h GLU 341 CO 0.07 -0.04 -0.31 -1.49 -1.16 0.00 0.00 179.01 176.09 3h1k h TRP 342 N -0.06 -0.81 0.36 4.33 4.06 -0.84 -0.73 115.95 122.27 3h1k h TRP 342 Ca 0.33 0.08 -0.01 0.00 2.06 0.00 0.00 58.89 61.35 3h1k h TRP 342 Cb 0.58 0.47 -0.02 0.00 -1.00 0.00 0.00 29.16 29.19 3h1k h TRP 342 CO -0.69 -0.38 -0.43 0.52 -3.56 0.00 0.00 178.44 173.89 3h1k h MET 343 N -0.06 -0.78 -0.82 0.49 2.86 0.23 -1.50 114.93 115.34 3h1k h MET 343 Ca 0.32 0.05 0.32 0.00 -2.06 0.00 0.00 59.70 58.34 3h1k h MET 343 Cb 0.58 0.18 -0.15 0.00 0.06 0.00 0.00 31.60 32.27 3h1k h MET 343 CO -0.83 -0.52 0.35 -2.13 1.06 0.00 0.00 176.91 174.84 3h1k n ARG 344 N -5.01 -0.05 -0.18 1.72 0.63 -0.36 0.11 116.66 113.52 3h1k n ARG 344 Ca -0.10 1.15 -0.06 0.00 -0.92 0.00 0.00 57.85 57.93 3h1k n ARG 344 Cb 0.38 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 31.27 3h1k n ARG 344 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3h1k h LEU 345 N 0.00 -1.12 -1.16 6.15 3.38 -0.44 0.36 115.31 122.48 3h1k h LEU 345 Ca 0.66 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.84 3h1k h LEU 345 Cb 1.68 0.55 0.00 0.00 0.09 0.00 0.00 40.66 42.98 3h1k h LEU 345 CO -0.66 -0.31 0.00 0.00 0.09 0.00 0.00 178.44 177.56 3h1k n THR 347 N -2.98 0.95 -2.15 0.00 -2.24 0.58 -4.77 114.28 103.67 3h1k n THR 347 Ca 0.01 -0.15 -0.02 0.00 -2.27 0.00 0.00 64.05 61.63 3h1k n THR 347 Cb 0.33 -1.76 0.09 0.00 -2.10 0.00 0.00 70.33 66.89 3h1k n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3h1k n SER 348 N -3.76 2.15 -4.74 3.42 3.41 0.95 -5.07 113.62 109.99 3h1k n SER 348 Ca -0.28 -3.03 -0.42 0.00 -0.26 0.00 0.00 58.87 54.89 3h1k n SER 348 Cb 0.66 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 3h1k n SER 348 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3h1k s THR 349 N -2.71 2.40 0.48 6.66 2.01 -1.17 -4.98 115.64 118.33 3h1k s THR 349 Ca 0.38 0.33 0.07 0.00 0.31 0.00 0.00 61.69 62.77 3h1k s THR 349 Cb 0.38 -3.21 0.03 0.00 0.01 0.00 0.00 72.50 69.71 3h1k s THR 349 CO -0.07 0.05 0.66 0.42 -0.69 0.00 0.00 174.62 174.98 3h1k s THR 350 N 0.29 2.76 -0.19 -0.82 -4.23 -1.26 -4.76 115.64 107.43 3h1k s THR 350 Ca 0.64 -0.93 0.28 0.00 -1.18 0.00 0.00 61.69 60.50 3h1k s THR 350 Cb -0.45 -2.83 0.36 0.00 1.34 0.00 0.00 72.50 70.93 3h1k s THR 350 CO 0.42 0.00 1.80 -0.33 -0.54 0.00 0.00 174.62 175.96 3h1k h GLU 351 N 0.42 0.00 0.04 3.99 4.39 -1.97 -2.86 114.58 118.58 3h1k h GLU 351 Ca -0.38 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.06 3h1k h GLU 351 Cb 1.28 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.96 3h1k h GLU 351 CO 0.45 0.00 -1.02 0.77 -1.16 0.00 0.00 179.01 178.05 3h1k h SER 352 N 0.00 0.84 -0.62 1.42 0.02 -1.99 -1.32 113.55 111.90 3h1k h SER 352 Ca 0.00 -0.77 -0.01 0.00 -0.84 0.00 0.00 61.79 60.17 3h1k h SER 352 Cb 0.75 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 3h1k h SER 352 CO 0.00 1.51 0.36 -0.33 -1.14 0.00 0.00 176.83 177.23 3h1k h GLU 353 N 0.26 0.85 0.21 3.45 5.08 -1.94 -2.04 114.58 120.45 3h1k h GLU 353 Ca -0.14 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3h1k h GLU 353 Cb 1.70 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3h1k h GLU 353 CO 0.20 0.62 -0.10 -0.39 -1.00 0.00 0.00 179.01 178.34 3h1k h VAL 354 N 0.84 0.83 -0.83 3.13 -1.51 -1.52 -0.58 116.25 116.62 3h1k h VAL 354 Ca 0.22 -0.88 0.20 0.00 -1.23 0.00 0.00 66.70 65.01 3h1k h VAL 354 Cb -0.00 1.30 -0.14 0.00 -2.13 0.00 0.00 31.29 30.32 3h1k h VAL 354 CO -0.04 0.18 0.08 0.50 -1.23 0.00 0.00 177.57 177.06 3h1k h LYS 355 N -0.77 0.12 -0.20 5.19 3.64 -1.20 0.59 116.57 123.94 3h1k h LYS 355 Ca -0.03 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3h1k h LYS 355 Cb 0.51 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3h1k h LYS 355 CO 0.05 0.08 0.06 -0.09 -2.27 0.00 0.00 179.45 177.28 3h1k h ARG 356 N 0.13 0.32 -0.87 1.90 2.43 -1.33 -1.79 114.38 115.17 3h1k h ARG 356 Ca 0.48 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.61 3h1k h ARG 356 Cb 0.91 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.37 3h1k h ARG 356 CO -0.70 0.43 0.57 0.00 -1.51 0.00 0.00 179.97 178.77 3h1k h ALA 357 N 0.87 1.46 0.17 2.80 0.00 0.14 -0.57 119.26 124.13 3h1k h ALA 357 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3h1k h ALA 357 Cb 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h1k h ALA 357 CO -0.00 0.46 -0.08 0.87 0.00 0.00 0.00 179.25 180.49 3h1k h LYS 358 N 1.08 -0.22 0.00 0.00 1.57 0.20 0.51 116.57 119.72 3h1k h LYS 358 Ca 0.34 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 3h1k h LYS 358 Cb 0.03 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3h1k h LYS 358 CO -0.10 0.06 -0.03 -0.91 -0.57 0.00 0.00 179.45 177.91 3h1k h ASN 359 N -0.50 0.00 0.03 0.86 2.35 -0.95 0.94 115.58 118.31 3h1k h ASN 359 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3h1k h ASN 359 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3h1k h ASN 359 CO 0.04 0.03 -0.01 -0.74 -1.65 0.00 0.00 177.43 175.09 3h1k h HIS 360 N 0.00 -0.04 -0.42 1.19 2.76 -0.81 -3.18 115.15 114.65 3h1k h HIS 360 Ca -0.00 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3h1k h HIS 360 Cb 0.10 0.01 -0.08 0.00 1.55 0.00 0.00 27.41 29.00 3h1k h HIS 360 CO 0.00 0.63 -0.08 1.25 -1.30 0.00 0.00 177.93 178.43 3h1k h LEU 361 N -0.93 -0.34 -0.33 0.26 5.85 -0.21 0.13 115.31 119.74 3h1k h LEU 361 Ca -0.00 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3h1k h LEU 361 Cb 0.69 0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.87 3h1k h LEU 361 CO 0.01 -0.12 -0.45 0.03 -0.34 0.00 0.00 178.44 177.57 3h1k h ARG 362 N 0.03 -0.37 -0.91 1.25 3.08 -0.96 0.24 114.38 116.73 3h1k h ARG 362 Ca 0.20 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.38 3h1k h ARG 362 Cb 0.31 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 3h1k h ARG 362 CO -0.41 -0.25 0.59 0.77 -1.07 0.00 0.00 179.97 179.59 3h1k h SER 363 N -0.39 0.83 -0.68 7.04 0.02 -1.26 -1.67 113.55 117.43 3h1k h SER 363 Ca 0.11 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 3h1k h SER 363 Cb 0.60 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3h1k h SER 363 CO -0.53 0.48 0.14 0.00 -1.14 0.00 0.00 176.83 175.78 3h1k h ALA 364 N 1.55 0.90 0.69 3.77 0.00 0.13 -0.37 119.26 125.91 3h1k h ALA 364 Ca 0.42 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3h1k h ALA 364 Cb 0.41 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h1k h ALA 364 CO -0.19 0.64 -0.33 0.00 0.00 0.00 0.00 179.25 179.38 3h1k h MET 365 N 1.03 -0.89 -0.95 0.00 -0.00 -0.04 -2.56 114.93 111.52 3h1k h MET 365 Ca 0.21 0.06 0.29 0.00 -0.00 0.00 0.00 59.70 60.26 3h1k h MET 365 Cb 0.41 0.20 -0.17 0.00 -0.00 0.00 0.00 31.60 32.04 3h1k h MET 365 CO 0.01 -0.59 0.23 0.28 -0.00 0.00 0.00 176.91 176.84 3h1k h VAL 366 N -1.19 0.13 -0.96 -0.10 2.07 -1.32 0.43 116.25 115.31 3h1k h VAL 366 Ca -0.09 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.47 3h1k h VAL 366 Cb 0.71 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 3h1k h VAL 366 CO 0.15 0.02 0.61 0.00 0.02 0.00 0.00 177.57 178.37 3h1k h ALA 367 N 1.91 1.35 0.00 1.67 0.00 -0.84 -1.14 119.26 122.21 3h1k h ALA 367 Ca 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.54 3h1k h ALA 367 Cb 1.42 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3h1k h ALA 367 CO -0.78 0.36 0.00 1.96 0.00 0.00 0.00 179.25 180.78 3h1k h GLN 368 N 1.08 0.00 -1.74 0.00 4.20 0.27 -2.85 115.11 116.08 3h1k h GLN 368 Ca 0.43 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.44 3h1k h GLN 368 Cb 0.23 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 27.69 3h1k h GLN 368 CO -0.19 0.00 0.46 1.28 -0.67 0.00 0.00 178.83 179.71 3h1k n LEU 369 N -2.94 6.63 -4.17 1.46 4.77 -0.43 -4.48 117.00 117.84 3h1k n LEU 369 Ca -0.02 -4.91 -0.39 0.00 -0.03 0.00 0.00 56.01 50.66 3h1k n LEU 369 Cb 0.09 -0.86 -0.06 0.00 -2.33 0.00 0.00 43.42 40.27 3h1k n LEU 369 CO 0.19 1.89 0.32 -0.62 -1.33 0.00 0.00 177.39 177.84 3h1k s ASP 370 N -1.95 6.06 0.00 -1.43 2.15 -1.08 -4.89 116.67 115.54 3h1k s ASP 370 Ca 0.52 -3.26 0.00 0.00 0.43 0.00 0.00 52.55 50.24 3h1k s ASP 370 Cb 0.43 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 41.07 3h1k s ASP 370 CO -0.30 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 174.98 3h1k n GLY 371 N 3.02 0.51 0.11 2.66 0.00 -1.26 -4.71 105.19 105.51 3h1k n GLY 371 Ca 0.16 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.82 3h1k n GLY 371 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1k n THR 372 N 3.20 1.51 -0.15 2.61 -2.24 -1.26 -3.82 114.28 114.13 3h1k n THR 372 Ca 0.00 -0.05 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 3h1k n THR 372 Cb 0.00 -2.08 0.01 0.00 -2.10 0.00 0.00 70.33 66.15 3h1k n THR 372 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3h1k h THR 373 N -1.00 0.25 0.00 4.28 2.02 -1.89 0.14 112.91 116.71 3h1k h THR 373 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3h1k h THR 373 Cb 1.22 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3h1k h THR 373 CO -0.21 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.23 3h1k h PRO 374 N -0.18 0.00 0.00 6.66 0.13 -1.83 -2.17 132.00 134.61 3h1k h PRO 374 Ca 0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.33 3h1k h PRO 374 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 3h1k h PRO 374 CO -0.58 0.00 -0.06 0.28 -0.23 0.00 0.00 178.00 177.40 3h1k h VAL 375 N 0.00 1.54 -0.40 1.56 2.07 -0.86 -3.02 116.25 117.14 3h1k h VAL 375 Ca 0.00 -2.18 0.05 0.00 0.82 0.00 0.00 66.70 65.39 3h1k h VAL 375 Cb 0.17 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 3h1k h VAL 375 CO 0.00 0.52 0.27 0.00 0.02 0.00 0.00 177.57 178.38 3h1k h GLU 377 N 0.35 -0.16 0.17 0.00 4.57 -1.47 1.55 114.58 119.59 3h1k h GLU 377 Ca 0.17 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.37 3h1k h GLU 377 Cb 0.24 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3h1k h GLU 377 CO -0.04 -0.11 -0.19 1.15 -1.18 0.00 0.00 179.01 178.64 3h1k h THR 378 N -0.17 0.58 0.05 0.32 2.02 -1.08 0.91 112.91 115.54 3h1k h THR 378 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3h1k h THR 378 Cb 0.14 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3h1k h THR 378 CO 0.01 0.00 -0.04 0.40 0.37 0.00 0.00 175.52 176.26 3h1k h ILE 379 N -0.41 0.91 -1.00 3.11 2.04 -0.79 2.20 117.51 123.56 3h1k h ILE 379 Ca 0.01 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.08 3h1k h ILE 379 Cb 0.39 0.91 -0.11 0.00 -0.74 0.00 0.00 36.82 37.27 3h1k h ILE 379 CO -0.06 0.00 0.61 1.23 0.00 0.00 0.00 178.15 179.93 3h1k h GLY 380 N -0.10 1.81 0.01 5.37 0.00 0.24 -2.61 103.07 107.79 3h1k h GLY 380 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3h1k h GLY 380 CO -0.00 -0.14 -0.00 1.76 0.00 0.00 0.00 176.54 178.16 3h1k h SER 381 N 0.68 -0.01 -0.41 0.19 0.02 0.58 -3.21 113.55 111.39 3h1k h SER 381 Ca 0.61 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.60 3h1k h SER 381 Cb 1.05 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.54 3h1k h SER 381 CO -0.41 0.03 -0.22 1.41 -1.14 0.00 0.00 176.83 176.49 3h1k n HIS 382 N -2.21 -0.14 0.20 3.45 -0.00 0.73 -0.54 115.22 116.72 3h1k n HIS 382 Ca -0.00 0.51 -0.09 0.00 -0.00 0.00 0.00 57.72 58.14 3h1k n HIS 382 Cb 0.00 -0.56 -0.04 0.00 -0.00 0.00 0.00 29.99 29.39 3h1k n HIS 382 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3h1k h LEU 383 N 0.00 -0.54 -0.94 2.41 3.38 -1.05 0.66 115.31 119.23 3h1k h LEU 383 Ca 0.08 0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.36 3h1k h LEU 383 Cb 0.18 0.16 -0.15 0.00 0.09 0.00 0.00 40.66 40.94 3h1k h LEU 383 CO -0.39 -0.34 0.32 0.25 0.09 0.00 0.00 178.44 178.37 3h1k h LEU 384 N -0.55 0.10 0.00 1.67 5.85 -0.99 0.35 115.31 121.75 3h1k h LEU 384 Ca -0.05 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3h1k h LEU 384 Cb 0.44 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 3h1k h LEU 384 CO 0.06 -0.21 -0.57 0.59 -0.34 0.00 0.00 178.44 177.97 3h1k n ASN 385 N -5.22 1.82 0.20 1.25 3.02 0.30 -4.62 115.26 112.01 3h1k n ASN 385 Ca 0.26 0.61 0.10 0.00 -0.03 0.00 0.00 54.58 55.52 3h1k n ASN 385 Cb 0.84 -0.86 0.13 0.00 -0.61 0.00 0.00 39.78 39.28 3h1k n ASN 385 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3h1k h TYR 386 N -1.00 0.00 0.00 3.10 0.05 0.29 -3.45 116.97 115.96 3h1k h TYR 386 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3h1k h TYR 386 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 3h1k h TYR 386 CO -0.23 0.09 0.00 0.41 -1.05 0.00 0.00 178.16 177.38 3h1k n GLY 387 N 1.13 2.78 0.00 3.88 0.00 0.12 -4.93 105.19 108.17 3h1k n GLY 387 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3h1k n GLY 387 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3h1k n ARG 388 N 0.00 3.78 -3.70 1.61 1.85 -1.26 -4.62 116.66 114.31 3h1k n ARG 388 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.70 3h1k n ARG 388 Cb 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.26 3h1k n ARG 388 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3h1k s ARG 389 N 3.26 0.07 -0.17 2.89 6.06 -1.26 -2.21 118.95 127.59 3h1k s ARG 389 Ca 0.00 0.49 -0.17 0.00 -2.50 0.00 0.00 55.73 53.55 3h1k s ARG 389 Cb 0.00 -0.21 -0.04 0.00 0.06 0.00 0.00 34.95 34.76 3h1k s ARG 389 CO 0.00 -0.24 0.44 0.42 -2.50 0.00 0.00 175.30 173.42 3h1k s ILE 390 N 1.78 5.18 0.44 4.11 1.01 -1.26 -5.05 121.20 127.40 3h1k s ILE 390 Ca -0.03 0.83 -0.12 0.00 0.00 0.00 0.00 60.65 61.33 3h1k s ILE 390 Cb -0.12 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.51 3h1k s ILE 390 CO -0.06 0.26 0.83 -0.94 0.00 0.00 0.00 174.94 175.03 3h1k s SER 391 N 0.90 6.54 0.45 3.58 1.04 -1.26 -4.85 113.70 120.10 3h1k s SER 391 Ca 0.22 1.24 0.16 0.00 0.48 0.00 0.00 55.95 58.05 3h1k s SER 391 Cb -0.15 -2.37 1.09 0.00 0.10 0.00 0.00 66.02 64.69 3h1k s SER 391 CO 0.09 -0.45 1.99 -0.07 0.98 0.00 0.00 173.24 175.77 3h1k h LEU 392 N 1.15 0.30 -0.73 2.42 -0.00 -1.98 0.22 115.31 116.69 3h1k h LEU 392 Ca -0.47 0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.38 3h1k h LEU 392 Cb 1.19 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.76 3h1k h LEU 392 CO 0.63 0.18 0.31 -0.08 -0.00 0.00 0.00 178.44 179.49 3h1k h GLU 393 N 0.34 1.08 0.25 1.13 4.81 -1.93 0.46 114.58 120.71 3h1k h GLU 393 Ca 0.27 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3h1k h GLU 393 Cb 0.60 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3h1k h GLU 393 CO -0.07 0.87 -0.12 1.49 -0.73 0.00 0.00 179.01 180.46 3h1k h GLU 394 N 1.04 -0.32 -0.22 1.92 4.81 -1.08 -2.81 114.58 117.93 3h1k h GLU 394 Ca 0.25 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 3h1k h GLU 394 Cb 0.18 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3h1k h GLU 394 CO -0.02 -0.21 -0.13 0.91 -0.73 0.00 0.00 179.01 178.82 3h1k n TRP 395 N -3.40 -0.10 -0.33 0.92 5.03 0.29 -1.09 117.44 118.76 3h1k n TRP 395 Ca -0.04 0.27 -0.08 0.00 3.03 0.00 0.00 57.50 60.68 3h1k n TRP 395 Cb 0.13 -0.49 -0.07 0.00 -1.03 0.00 0.00 31.31 29.85 3h1k n TRP 395 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 3h1k n ASP 396 N -3.45 -0.80 -0.26 -0.99 -0.08 0.15 0.59 116.55 111.70 3h1k n ASP 396 Ca 0.00 1.38 0.04 0.00 -1.51 0.00 0.00 54.79 54.70 3h1k n ASP 396 Cb 0.06 -0.19 0.17 0.00 2.34 0.00 0.00 41.12 43.50 3h1k n ASP 396 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 3h1k h SER 397 N 0.00 0.45 -0.02 1.67 0.87 -0.83 0.46 113.55 116.15 3h1k h SER 397 Ca 0.13 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3h1k h SER 397 Cb 0.33 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 3h1k h SER 397 CO -0.73 0.23 0.06 0.03 -0.53 0.00 0.00 176.83 175.89 3h1k h ARG 398 N 0.59 0.00 0.05 2.24 3.08 0.15 -2.00 114.38 118.48 3h1k h ARG 398 Ca 0.39 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.12 3h1k h ARG 398 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3h1k h ARG 398 CO -0.32 0.00 -1.81 -0.89 -1.07 0.00 0.00 179.97 175.89 3h1k n ILE 399 N -3.33 1.63 0.31 2.04 5.41 0.12 -4.06 119.36 121.48 3h1k n ILE 399 Ca -0.02 -0.36 0.19 0.00 1.00 0.00 0.00 62.75 63.56 3h1k n ILE 399 Cb 0.14 -1.85 1.03 0.00 -0.71 0.00 0.00 39.64 38.25 3h1k n ILE 399 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3h1k h SER 400 N -0.49 0.00 1.61 4.38 0.02 0.15 -0.86 113.55 118.36 3h1k h SER 400 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3h1k h SER 400 Cb 1.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.22 3h1k h SER 400 CO -0.11 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.58 3h1k h ALA 401 N 1.80 1.00 -2.57 3.77 0.00 -1.52 -3.46 119.26 118.28 3h1k h ALA 401 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.44 3h1k h ALA 401 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h1k h ALA 401 CO -0.00 0.00 0.40 0.08 0.00 0.00 0.00 179.25 179.73 3h1k s VAL 402 N -3.29 3.87 0.16 0.00 1.01 -0.33 -5.05 120.40 116.77 3h1k s VAL 402 Ca 0.06 1.60 -0.03 0.00 0.00 0.00 0.00 61.98 63.61 3h1k s VAL 402 Cb 0.07 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3h1k s VAL 402 CO 0.61 0.17 0.13 1.51 0.00 0.00 0.00 175.10 177.52 3h1k s ASP 403 N -1.41 0.21 0.00 3.32 -4.77 -1.26 -4.97 116.67 107.79 3h1k s ASP 403 Ca 0.51 -1.20 0.00 0.00 -3.30 0.00 0.00 52.55 48.56 3h1k s ASP 403 Cb -0.23 0.35 0.00 0.00 -1.09 0.00 0.00 42.92 41.95 3h1k s ASP 403 CO 0.29 -0.80 0.94 0.00 0.70 0.00 0.00 175.17 176.30 3h1k n ALA 404 N -0.18 -0.08 -0.25 2.11 0.00 -1.26 -0.63 120.51 120.23 3h1k n ALA 404 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.50 3h1k n ALA 404 Cb 0.64 0.39 0.19 0.00 0.00 0.00 0.00 19.45 20.67 3h1k n ALA 404 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3h1k n ARG 405 N -2.58 -0.06 -0.23 0.00 0.00 -1.26 0.13 116.66 112.66 3h1k n ARG 405 Ca 0.00 1.07 -0.06 0.00 -0.00 0.00 0.00 57.85 58.86 3h1k n ARG 405 Cb 0.00 -1.68 0.05 0.00 0.00 0.00 0.00 32.46 30.83 3h1k n ARG 405 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 3h1k h MET 406 N 0.00 0.87 0.50 -0.14 4.05 -1.27 -2.88 114.93 116.06 3h1k h MET 406 Ca 0.41 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.75 3h1k h MET 406 Cb 0.82 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 3h1k h MET 406 CO -0.68 0.59 -0.24 0.28 0.23 0.00 0.00 176.91 177.09 3h1k h VAL 407 N 0.89 0.48 -1.12 -5.77 2.07 0.20 -2.36 116.25 110.64 3h1k h VAL 407 Ca 0.24 -0.20 0.31 0.00 0.82 0.00 0.00 66.70 67.87 3h1k h VAL 407 Cb -0.09 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 30.15 3h1k h VAL 407 CO -0.05 0.03 0.73 0.03 0.02 0.00 0.00 177.57 178.34 3h1k h ARG 408 N -0.80 0.27 -0.11 1.57 3.08 -1.44 0.83 114.38 117.78 3h1k h ARG 408 Ca -0.07 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 3h1k h ARG 408 Cb 0.57 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3h1k h ARG 408 CO 0.11 0.18 -0.36 -0.44 -1.07 0.00 0.00 179.97 178.40 3h1k h ASP 409 N 0.28 0.50 -0.28 7.04 3.32 -1.27 -2.03 116.42 123.98 3h1k h ASP 409 Ca 0.64 -0.61 -0.18 0.00 0.02 0.00 0.00 57.03 56.90 3h1k h ASP 409 Cb 1.84 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 41.24 3h1k h ASP 409 CO -0.29 1.02 -0.54 0.58 -1.72 0.00 0.00 179.24 178.30 3h1k h VAL 410 N 0.01 1.27 -0.33 -1.35 2.07 -0.45 -1.13 116.25 116.35 3h1k h VAL 410 Ca -0.01 -1.72 -0.08 0.00 0.82 0.00 0.00 66.70 65.71 3h1k h VAL 410 Cb 0.98 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 3h1k h VAL 410 CO 0.08 0.56 -0.10 0.00 0.02 0.00 0.00 177.57 178.13 3h1k h SER 412 N 0.42 0.32 -0.12 0.00 0.02 -1.30 0.87 113.55 113.77 3h1k h SER 412 Ca 0.08 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3h1k h SER 412 Cb 0.60 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3h1k h SER 412 CO 0.04 0.17 -0.03 0.50 -1.14 0.00 0.00 176.83 176.37 3h1k h LYS 413 N 0.48 0.00 -0.00 3.45 3.64 -0.70 -2.73 116.57 120.71 3h1k h LYS 413 Ca 0.35 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3h1k h LYS 413 Cb 0.43 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3h1k h LYS 413 CO -0.32 0.00 -0.78 0.66 -2.27 0.00 0.00 179.45 176.74 3h1k n TYR 414 N -5.15 0.00 -0.02 1.91 4.02 -0.62 -4.73 117.16 112.56 3h1k n TYR 414 Ca -0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.78 3h1k n TYR 414 Cb 0.08 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 39.31 3h1k n TYR 414 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3h1k n ILE 415 N -1.31 1.16 -1.57 -0.72 5.41 0.30 -4.75 119.36 117.88 3h1k n ILE 415 Ca 0.05 0.17 -0.50 0.00 1.00 0.00 0.00 62.75 63.47 3h1k n ILE 415 Cb 0.35 -1.85 -0.05 0.00 -0.71 0.00 0.00 39.64 37.38 3h1k n ILE 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h1k n TYR 416 N -3.81 1.22 -3.92 1.39 9.36 -1.03 -3.04 117.16 117.32 3h1k n TYR 416 Ca -0.11 0.71 -0.32 0.00 3.32 0.00 0.00 57.90 61.50 3h1k n TYR 416 Cb 0.35 -2.26 0.01 0.00 -0.63 0.00 0.00 39.34 36.81 3h1k n TYR 416 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3h1k n ASP 417 N 2.06 -3.01 -4.25 2.98 4.64 0.46 -4.94 116.55 114.49 3h1k n ASP 417 Ca 0.16 -0.92 -0.23 0.00 -1.38 0.00 0.00 54.79 52.42 3h1k n ASP 417 Cb 0.23 -1.14 -0.13 0.00 -1.04 0.00 0.00 41.12 39.04 3h1k n ASP 417 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3h1k s LYS 418 N -6.46 1.10 -0.15 -0.67 -0.14 -1.17 -5.10 119.74 107.15 3h1k s LYS 418 Ca 0.31 -1.05 -0.27 0.00 -1.36 0.00 0.00 55.97 53.60 3h1k s LYS 418 Cb -0.17 -1.28 -0.01 0.00 -1.68 0.00 0.00 37.83 34.69 3h1k s LYS 418 CO 0.70 0.30 0.90 0.00 -0.76 0.00 0.00 175.35 176.49 3h1k s PRO 420 N 2.14 2.60 -0.16 0.00 0.04 -1.26 -4.27 135.00 134.09 3h1k s PRO 420 Ca 0.42 -1.47 -0.07 0.00 0.04 0.00 0.00 61.00 59.92 3h1k s PRO 420 Cb -0.17 -2.57 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 3h1k s PRO 420 CO 0.14 -0.39 0.09 0.00 0.04 0.00 0.00 177.00 176.88 3h1k s ALA 421 N -2.48 3.59 -0.05 8.56 0.00 0.15 -1.57 121.76 129.96 3h1k s ALA 421 Ca 0.53 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.83 3h1k s ALA 421 Cb -0.07 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.11 3h1k s ALA 421 CO 0.32 0.35 -0.21 -1.17 0.00 0.00 0.00 175.76 175.05 3h1k s LEU 422 N -0.19 1.99 -0.20 0.00 2.96 0.14 -1.80 118.68 121.58 3h1k s LEU 422 Ca 0.09 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 3h1k s LEU 422 Cb -0.12 -1.17 0.05 0.00 0.50 0.00 0.00 46.19 45.45 3h1k s LEU 422 CO 0.01 0.20 -0.07 0.00 -1.32 0.00 0.00 176.35 175.16 3h1k s ALA 423 N -0.07 1.82 -0.07 5.97 0.00 0.71 -1.08 121.76 129.04 3h1k s ALA 423 Ca -0.03 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.86 3h1k s ALA 423 Cb -0.12 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 3h1k s ALA 423 CO 0.03 -0.90 -0.25 0.00 0.00 0.00 0.00 175.76 174.64 3h1k s ALA 424 N 1.47 2.17 -0.07 0.00 0.00 -0.80 -0.68 121.76 123.85 3h1k s ALA 424 Ca -0.02 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 3h1k s ALA 424 Cb -0.17 -0.72 0.04 0.00 0.00 0.00 0.00 23.12 22.27 3h1k s ALA 424 CO -0.08 0.37 0.15 0.08 0.00 0.00 0.00 175.76 176.29 3h1k s VAL 425 N 0.01 -0.05 0.00 0.00 1.01 -0.72 0.00 120.40 120.65 3h1k s VAL 425 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3h1k s VAL 425 Cb -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 35.98 3h1k s VAL 425 CO 0.06 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3h1k n GLY 426 N 4.19 -0.06 2.30 4.51 0.00 0.29 -1.58 105.19 114.84 3h1k n GLY 426 Ca -0.26 -2.02 -0.21 0.00 0.00 0.00 0.00 46.02 43.52 3h1k n GLY 426 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h1k n PRO 427 N 0.00 2.31 -0.14 1.61 -0.04 -0.86 -1.95 135.00 135.93 3h1k n PRO 427 Ca 0.00 -1.36 -0.02 0.00 -0.04 0.00 0.00 63.50 62.08 3h1k n PRO 427 Cb 0.00 -2.30 0.03 0.00 -0.04 0.00 0.00 33.50 31.20 3h1k n PRO 427 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3h1k n ILE 428 N 3.31 0.96 0.00 0.52 -5.35 -1.26 -4.55 119.36 112.99 3h1k n ILE 428 Ca 0.49 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.75 3h1k n ILE 428 Cb 0.43 -0.78 0.00 0.00 -1.74 0.00 0.00 39.64 37.55 3h1k n ILE 428 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3h1k n GLU 429 N 0.22 0.00 -0.00 6.28 2.13 -1.26 -2.17 120.64 125.84 3h1k n GLU 429 Ca 0.06 0.28 0.07 0.00 0.66 0.00 0.00 57.16 58.23 3h1k n GLU 429 Cb 0.55 -1.51 -0.09 0.00 0.27 0.00 0.00 31.44 30.66 3h1k n GLU 429 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 3h1k n GLN 430 N -1.27 1.41 0.02 5.31 7.27 -1.26 -4.61 117.38 124.25 3h1k n GLN 430 Ca 0.00 -0.07 -0.13 0.00 0.07 0.00 0.00 57.00 56.88 3h1k n GLN 430 Cb 0.01 -1.25 -0.08 0.00 2.41 0.00 0.00 30.24 31.33 3h1k n GLN 430 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3h1k h LEU 431 N 0.00 -0.02 0.00 1.69 5.85 -1.79 -3.40 115.31 117.64 3h1k h LEU 431 Ca 0.00 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3h1k h LEU 431 Cb 0.49 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3h1k h LEU 431 CO 0.00 0.22 0.00 0.18 -0.34 0.00 0.00 178.44 178.50 3h1k n LEU 432 N -4.99 0.00 -2.37 2.25 4.77 -1.26 -4.94 117.00 110.46 3h1k n LEU 432 Ca -0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.90 3h1k n LEU 432 Cb 0.14 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3h1k n LEU 432 CO 0.33 0.00 -0.47 -0.67 -1.33 0.00 0.00 177.39 175.25 3h1k n ASP 433 N 0.00 -7.92 0.21 -1.43 4.64 -1.26 -4.66 116.55 106.13 3h1k n ASP 433 Ca 0.00 1.76 -0.15 0.00 -1.38 0.00 0.00 54.79 55.02 3h1k n ASP 433 Cb 0.00 -4.93 -0.07 0.00 -1.04 0.00 0.00 41.12 35.08 3h1k n ASP 433 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3h1k h TYR 434 N 4.29 -0.65 -0.64 -0.67 3.20 -1.98 -2.18 116.97 118.34 3h1k h TYR 434 Ca -0.06 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.87 3h1k h TYR 434 Cb 0.13 0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 3h1k h TYR 434 CO 0.00 -0.37 -0.36 0.09 -1.64 0.00 0.00 178.16 175.88 3h1k n ASN 435 N -5.37 -0.63 0.28 -2.11 3.02 -1.26 0.19 115.26 109.38 3h1k n ASN 435 Ca -0.10 1.14 -0.17 0.00 -0.03 0.00 0.00 54.58 55.43 3h1k n ASN 435 Cb 0.28 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.20 3h1k n ASN 435 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3h1k h ARG 436 N 0.00 -0.81 -1.04 3.52 2.47 -1.80 -0.54 114.38 116.18 3h1k h ARG 436 Ca 0.13 0.06 0.27 0.00 -1.26 0.00 0.00 59.98 59.17 3h1k h ARG 436 Cb 0.29 0.18 -0.09 0.00 -1.65 0.00 0.00 29.97 28.70 3h1k h ARG 436 CO -0.61 -0.54 0.68 0.82 0.56 0.00 0.00 179.97 180.88 3h1k h ILE 437 N -0.84 0.52 0.55 2.04 2.04 0.14 0.06 117.51 122.01 3h1k h ILE 437 Ca -0.05 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3h1k h ILE 437 Cb 0.72 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3h1k h ILE 437 CO 0.00 0.07 -0.26 -0.09 0.00 0.00 0.00 178.15 177.86 3h1k h ARG 438 N 0.36 -0.71 -0.81 2.37 9.65 0.36 -2.85 114.38 122.76 3h1k h ARG 438 Ca 0.59 0.05 0.21 0.00 -1.10 0.00 0.00 59.98 59.72 3h1k h ARG 438 Cb 1.55 0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 30.25 3h1k h ARG 438 CO -0.27 -0.42 0.56 0.77 2.80 0.00 0.00 179.97 183.41 3h1k h SER 439 N -0.88 0.18 0.00 -3.80 0.02 0.30 0.20 113.55 109.56 3h1k h SER 439 Ca -0.08 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3h1k h SER 439 Cb 0.62 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3h1k h SER 439 CO 0.12 0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 3h1k n GLY 440 N -1.61 -0.26 1.36 -3.77 0.00 -0.81 -1.71 105.19 98.39 3h1k n GLY 440 Ca 0.16 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.27 3h1k n GLY 440 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h1k n MET 441 N -0.56 3.06 -3.60 1.61 2.00 0.70 -4.75 117.12 115.59 3h1k n MET 441 Ca 0.01 -2.49 -0.12 0.00 0.00 0.00 0.00 57.70 55.09 3h1k n MET 441 Cb 0.00 -1.70 -0.06 0.00 0.00 0.00 0.00 33.22 31.46 3h1k n MET 441 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 3h1k s TYR 442 N -1.51 -0.58 0.00 2.03 -0.85 -0.69 -0.40 117.35 115.34 3h1k s TYR 442 Ca 0.45 1.26 0.00 0.00 -0.52 0.00 0.00 57.07 58.26 3h1k s TYR 442 Cb 0.27 0.36 0.00 0.00 0.38 0.00 0.00 41.96 42.97 3h1k s TYR 442 CO 0.26 -0.37 0.00 1.87 -1.52 0.00 0.00 175.55 175.79 3h1k n TRP 443 N 1.79 0.00 0.00 -3.49 -0.00 -1.26 -5.04 117.44 109.44 3h1k n TRP 443 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.36 3h1k n TRP 443 Cb 0.56 -1.98 0.00 0.00 -0.00 0.00 0.00 31.31 29.90 3h1k n TRP 443 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80