#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1k s THR 3 N 0.00 2.30 0.12 0.00 -4.23 -1.26 -5.04 115.64 107.53 3h1k s THR 3 Ca 0.00 -2.34 -0.25 0.00 -1.18 0.00 0.00 61.69 57.92 3h1k s THR 3 Cb 0.00 -2.33 -0.06 0.00 1.34 0.00 0.00 72.50 71.45 3h1k s THR 3 CO 0.00 -0.39 1.65 0.22 -0.54 0.00 0.00 174.62 175.56 3h1k h TYR 4 N 2.27 -0.60 -1.82 3.99 3.20 -2.06 -1.70 116.97 120.25 3h1k h TYR 4 Ca -0.40 0.02 0.54 0.00 3.14 0.00 0.00 58.73 62.03 3h1k h TYR 4 Cb 1.25 0.26 -0.09 0.00 1.54 0.00 0.00 36.73 39.69 3h1k h TYR 4 CO 0.79 -0.31 1.29 0.00 -1.64 0.00 0.00 178.16 178.28 3h1k h ALA 5 N 0.49 3.62 0.00 1.82 0.00 -2.02 -1.36 119.26 121.81 3h1k h ALA 5 Ca 0.06 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.60 3h1k h ALA 5 Cb 0.44 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3h1k h ALA 5 CO -0.19 -2.20 -1.90 1.04 0.00 0.00 0.00 179.25 175.99 3h1k n GLN 6 N -4.13 0.59 0.16 0.00 6.02 -0.71 -4.29 117.38 115.02 3h1k n GLN 6 Ca 0.43 0.41 0.17 0.00 -0.01 0.00 0.00 57.00 58.00 3h1k n GLN 6 Cb 1.89 -1.63 0.62 0.00 1.02 0.00 0.00 30.24 32.15 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 -0.93 0.13 0.00 5.09 1.35 -0.49 0.34 112.91 118.40 3h1k h THR 7 Ca -0.52 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.22 3h1k h THR 7 Cb 1.49 0.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 3h1k h THR 7 CO -0.29 0.00 -0.55 -0.07 -0.25 0.00 0.00 175.52 174.36 3h1k h LEU 8 N 0.00 0.00 0.20 3.87 3.38 -1.66 -3.27 115.31 117.84 3h1k h LEU 8 Ca 0.15 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.79 3h1k h LEU 8 Cb 1.36 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.13 3h1k h LEU 8 CO -0.00 0.55 -1.53 1.56 0.09 0.00 0.00 178.44 179.11 3h1k h GLN 9 N 0.00 0.43 0.00 1.13 4.20 -0.54 -3.33 115.11 117.00 3h1k h GLN 9 Ca -0.01 -0.73 0.00 0.00 0.06 0.00 0.00 58.65 57.98 3h1k h GLN 9 Cb 1.02 0.27 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3h1k h GLN 9 CO 0.07 1.35 0.06 -0.91 -0.67 0.00 0.00 178.83 178.73 3h1k h ASN 10 N 0.03 0.00 -2.36 1.46 4.21 -1.58 -3.41 115.58 113.93 3h1k h ASN 10 Ca -0.29 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 56.67 3h1k h ASN 10 Cb 2.05 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 39.25 3h1k h ASN 10 CO 0.20 0.00 1.26 -0.63 -1.29 0.00 0.00 177.43 176.97 3h1k s ILE 11 N -4.02 3.15 -0.22 2.81 1.01 -1.23 -4.85 121.20 117.85 3h1k s ILE 11 Ca -0.04 0.18 -0.38 0.00 0.00 0.00 0.00 60.65 60.41 3h1k s ILE 11 Cb 0.11 -3.14 -0.14 0.00 0.01 0.00 0.00 42.46 39.30 3h1k s ILE 11 CO 0.35 -0.04 1.84 -0.81 0.00 0.00 0.00 174.94 176.27 3h1k n PRO 12 N 7.77 1.53 -1.48 2.79 -0.04 -1.26 -4.91 135.00 139.40 3h1k n PRO 12 Ca 0.22 0.55 -0.38 0.00 -0.04 0.00 0.00 63.50 63.85 3h1k n PRO 12 Cb 0.43 -2.33 0.04 0.00 -0.04 0.00 0.00 33.50 31.59 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 6.12 0.54 -3.27 0.54 4.07 -1.26 -4.85 120.64 122.53 3h1k n GLU 13 Ca 0.26 0.21 -0.38 0.00 -0.06 0.00 0.00 57.16 57.19 3h1k n GLU 13 Cb 0.20 -1.73 -0.06 0.00 -0.06 0.00 0.00 31.44 29.79 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 -1.70 5.16 0.21 6.31 2.01 -1.26 -4.81 115.64 121.56 3h1k s THR 14 Ca 0.69 1.01 -0.28 0.00 0.31 0.00 0.00 61.69 63.42 3h1k s THR 14 Cb -0.45 -3.85 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 3h1k s THR 14 CO 0.54 0.29 0.87 0.20 -0.69 0.00 0.00 174.62 175.83 3h1k s ASN 15 N 0.73 7.54 -0.08 3.53 0.01 -0.73 -4.89 114.94 121.04 3h1k s ASN 15 Ca 0.27 1.82 -0.06 0.00 -0.71 0.00 0.00 52.86 54.18 3h1k s ASN 15 Cb -0.15 -2.56 0.03 0.00 0.41 0.00 0.00 41.25 38.97 3h1k s ASN 15 CO 0.11 0.18 0.21 -0.69 -1.51 0.00 0.00 177.10 175.39 3h1k s VAL 16 N -1.14 -0.01 -0.28 1.60 1.01 -1.26 -2.40 120.40 117.92 3h1k s VAL 16 Ca 0.39 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 3h1k s VAL 16 Cb -0.25 -0.30 0.10 0.00 0.00 0.00 0.00 36.38 35.93 3h1k s VAL 16 CO 0.30 0.02 0.82 0.42 0.00 0.00 0.00 175.10 176.65 3h1k s THR 17 N 0.38 0.00 0.64 3.92 -4.23 -0.92 -5.01 115.64 110.42 3h1k s THR 17 Ca -0.02 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.40 3h1k s THR 17 Cb -0.04 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.81 3h1k s THR 17 CO -0.02 0.00 1.00 -0.89 -0.54 0.00 0.00 174.62 174.18 3h1k s THR 18 N 1.29 3.80 0.54 3.99 2.01 -1.26 -2.13 115.64 123.88 3h1k s THR 18 Ca -0.07 0.36 0.07 0.00 0.31 0.00 0.00 61.69 62.36 3h1k s THR 18 Cb -0.05 -3.55 0.05 0.00 0.01 0.00 0.00 72.50 68.97 3h1k s THR 18 CO -0.15 -0.66 0.55 -0.76 -0.69 0.00 0.00 174.62 172.91 3h1k s LEU 19 N -5.17 2.94 0.00 4.42 1.43 -0.47 -4.94 118.68 116.88 3h1k s LEU 19 Ca 0.56 -1.03 0.13 0.00 -1.03 0.00 0.00 54.13 52.76 3h1k s LEU 19 Cb -0.11 -1.47 0.80 0.00 0.03 0.00 0.00 46.19 45.45 3h1k s LEU 19 CO 0.49 -1.14 1.41 0.47 0.23 0.00 0.00 176.35 177.81 3h1k n ASP 20 N -1.92 0.00 0.00 2.29 8.00 -1.26 -2.79 116.55 120.87 3h1k n ASP 20 Ca 0.06 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.27 3h1k n ASP 20 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 -0.75 1.29 0.00 -2.24 6.94 -1.26 -4.86 115.26 114.39 3h1k n ASN 21 Ca 0.10 -1.35 0.00 0.00 -0.02 0.00 0.00 54.58 53.31 3h1k n ASN 21 Cb 0.05 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 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 -0.18 2.99 3.33 4.83 0.00 -1.12 -3.97 105.19 111.08 3h1k n GLY 22 Ca 0.00 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 3h1k n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h1k n LEU 23 N 0.00 -1.38 -4.20 0.99 0.00 -1.17 -4.14 117.00 107.10 3h1k n LEU 23 Ca 0.00 0.34 -0.13 0.00 0.00 0.00 0.00 56.01 56.22 3h1k n LEU 23 Cb 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 43.42 42.21 3h1k n LEU 23 CO 0.00 -4.10 -0.40 -0.13 0.00 0.00 0.00 177.39 172.75 3h1k s ARG 24 N -3.12 0.91 -0.02 1.96 0.52 -1.18 -1.37 118.95 116.65 3h1k s ARG 24 Ca 0.54 -1.32 0.01 0.00 -0.52 0.00 0.00 55.73 54.44 3h1k s ARG 24 Cb -0.23 -0.44 0.01 0.00 0.52 0.00 0.00 34.95 34.81 3h1k s ARG 24 CO 0.69 0.04 -0.05 0.08 0.02 0.00 0.00 175.30 176.09 3h1k s VAL 25 N -3.19 0.45 0.02 3.52 1.01 -0.91 -0.90 120.40 120.40 3h1k s VAL 25 Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 3h1k s VAL 25 Cb 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.98 3h1k s VAL 25 CO -0.02 0.16 0.16 0.00 0.00 0.00 0.00 175.10 175.40 3h1k s ALA 26 N 0.28 -0.34 -0.01 5.51 0.00 0.46 -2.16 121.76 125.50 3h1k s ALA 26 Ca -0.03 -0.19 -0.29 0.00 0.00 0.00 0.00 51.96 51.45 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 -0.27 0.90 -1.54 0.00 0.00 0.00 175.76 174.85 3h1k s SER 27 N -1.66 -0.36 -0.27 0.00 1.04 -1.01 -0.89 113.70 110.55 3h1k s SER 27 Ca -0.11 0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.33 3h1k s SER 27 Cb -0.05 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.53 3h1k s SER 27 CO -0.00 -0.61 0.04 -0.70 0.98 0.00 0.00 173.24 172.95 3h1k s GLU 28 N -3.06 1.01 0.01 4.02 2.12 -0.57 -1.78 118.70 120.45 3h1k s GLU 28 Ca 0.05 -0.99 -0.30 0.00 0.36 0.00 0.00 54.97 54.09 3h1k s GLU 28 Cb -0.01 -2.29 -0.04 0.00 0.26 0.00 0.00 34.13 32.05 3h1k s GLU 28 CO -0.09 -0.81 1.08 -2.00 -0.54 0.00 0.00 175.26 172.91 3h1k s GLU 29 N 1.54 4.48 0.29 4.30 2.12 -1.26 -2.54 118.70 127.63 3h1k s GLU 29 Ca 0.03 1.57 0.02 0.00 0.36 0.00 0.00 54.97 56.96 3h1k s GLU 29 Cb -0.18 -3.44 -0.06 0.00 0.26 0.00 0.00 34.13 30.72 3h1k s GLU 29 CO -0.15 -0.19 0.08 -1.54 -0.54 0.00 0.00 175.26 172.92 3h1k s SER 30 N 1.09 1.73 -0.12 -1.70 1.04 0.41 -4.86 113.70 111.29 3h1k s SER 30 Ca 0.54 -1.38 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 3h1k s SER 30 Cb -0.24 0.05 -0.10 0.00 0.10 0.00 0.00 66.02 65.83 3h1k s SER 30 CO 0.27 -0.68 2.98 -0.24 0.98 0.00 0.00 173.24 176.55 3h1k n SER 31 N -0.57 5.63 -4.56 7.02 2.88 -1.26 -3.66 113.62 119.11 3h1k n SER 31 Ca -0.01 -2.67 -0.34 0.00 -1.33 0.00 0.00 58.87 54.52 3h1k n SER 31 Cb 0.66 -1.29 -0.12 0.00 -0.75 0.00 0.00 64.21 62.72 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 -0.02 2.78 0.14 -1.46 -0.21 -1.26 -4.98 119.66 114.64 3h1k s GLN 32 Ca 0.49 -0.57 -0.11 0.00 0.02 0.00 0.00 55.36 55.19 3h1k s GLN 32 Cb 0.26 -2.58 -0.05 0.00 1.00 0.00 0.00 33.01 31.64 3h1k s GLN 32 CO -0.05 0.63 1.47 -1.00 -2.12 0.00 0.00 175.29 174.22 3h1k h PRO 33 N 5.36 0.93 -6.96 2.91 0.13 -1.94 -1.87 132.00 130.57 3h1k h PRO 33 Ca -0.47 -0.51 -0.45 0.00 -0.87 0.00 0.00 66.00 63.70 3h1k h PRO 33 Cb 1.17 0.03 0.06 0.00 0.13 0.00 0.00 31.00 32.39 3h1k h PRO 33 CO 0.53 1.16 0.03 -0.08 -0.23 0.00 0.00 178.00 179.41 3h1k s THR 34 N -4.35 2.40 0.04 1.56 -1.32 -1.26 0.27 115.64 112.98 3h1k s THR 34 Ca -0.11 -0.64 -0.03 0.00 -1.21 0.00 0.00 61.69 59.71 3h1k s THR 34 Cb 0.11 -2.77 0.01 0.00 -1.51 0.00 0.00 72.50 68.34 3h1k s THR 34 CO 0.88 0.00 0.14 0.00 -2.21 0.00 0.00 174.62 173.43 3h1k s THR 36 N -2.62 0.00 0.00 0.00 2.01 -1.07 -2.12 115.64 111.85 3h1k s THR 36 Ca 0.03 -0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 3h1k s THR 36 Cb -0.00 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.57 3h1k s THR 36 CO 0.01 -0.00 0.24 0.68 -0.69 0.00 0.00 174.62 174.86 3h1k s VAL 37 N 0.33 0.07 0.00 3.82 -7.23 -0.07 -2.12 120.40 115.21 3h1k s VAL 37 Ca -0.00 -0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 59.27 3h1k s VAL 37 Cb -0.05 -0.62 0.10 0.00 0.56 0.00 0.00 36.38 36.38 3h1k s VAL 37 CO 0.01 -0.33 1.05 -0.83 -0.31 0.00 0.00 175.10 174.69 3h1k s GLY 38 N -1.49 -0.35 -0.26 2.32 0.00 -0.32 0.11 107.32 107.33 3h1k s GLY 38 Ca -0.12 0.80 -0.10 0.00 0.00 0.00 0.00 44.72 45.29 3h1k s GLY 38 CO 0.02 0.23 0.15 0.54 0.00 0.00 0.00 173.10 174.04 3h1k s VAL 39 N -2.90 5.11 -0.81 1.40 0.11 0.47 -0.97 120.40 122.81 3h1k s VAL 39 Ca 0.10 0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.18 3h1k s VAL 39 Cb 0.00 -3.41 0.21 0.00 -1.53 0.00 0.00 36.38 31.65 3h1k s VAL 39 CO -0.04 0.30 0.71 0.26 -3.33 0.00 0.00 175.10 173.00 3h1k s TRP 40 N 1.48 3.74 0.03 1.54 0.51 -0.35 -1.83 118.94 124.06 3h1k s TRP 40 Ca 0.07 -2.57 -0.30 0.00 -2.12 0.00 0.00 56.10 51.18 3h1k s TRP 40 Cb -0.15 -3.48 -0.05 0.00 -0.81 0.00 0.00 33.47 28.98 3h1k s TRP 40 CO 0.07 -0.88 1.19 0.42 -0.51 0.00 0.00 176.95 177.25 3h1k s ILE 41 N -0.46 4.13 -1.58 2.03 1.01 -0.95 -3.13 121.20 122.26 3h1k s ILE 41 Ca 0.21 1.52 -0.11 0.00 0.00 0.00 0.00 60.65 62.27 3h1k s ILE 41 Cb -0.13 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 3h1k s ILE 41 CO -0.08 0.09 2.77 0.61 0.00 0.00 0.00 174.94 178.34 3h1k n GLY 42 N 3.24 4.33 3.48 6.18 0.00 -0.88 -1.23 105.19 120.30 3h1k n GLY 42 Ca 0.09 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 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 2.28 2.56 0.00 4.61 0.00 -1.26 -4.88 121.76 125.07 3h1k s ALA 43 Ca 0.64 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3h1k s ALA 43 Cb 0.17 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.58 3h1k s ALA 43 CO -0.07 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3h1k n GLY 44 N -0.70 0.86 0.15 0.00 0.00 -1.25 0.14 105.19 104.39 3h1k n GLY 44 Ca -0.04 -0.84 0.03 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.00 -0.46 1.61 4.64 -1.11 -3.13 113.55 115.10 3h1k h SER 45 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3h1k h SER 45 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3h1k h SER 45 CO 0.00 0.46 0.26 -0.09 -0.87 0.00 0.00 176.83 176.60 3h1k h ARG 46 N 0.00 0.63 -0.25 4.77 2.43 -1.05 -0.20 114.38 120.72 3h1k h ARG 46 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3h1k h ARG 46 Cb 1.31 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3h1k h ARG 46 CO 0.06 0.48 0.00 0.66 -1.51 0.00 0.00 179.97 179.66 3h1k n TYR 47 N -4.70 0.00 -2.14 2.20 4.02 -1.18 -4.73 117.16 110.63 3h1k n TYR 47 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3h1k n TYR 47 Cb 0.07 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 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 -0.13 2.74 -3.76 -0.72 1.02 -0.09 -4.94 120.64 114.76 3h1k n GLU 48 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 3h1k n GLU 48 Cb 0.06 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.46 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 -0.99 -0.26 0.24 1.62 4.22 -1.26 -4.96 114.94 113.55 3h1k s ASN 49 Ca 0.00 -0.43 -0.15 0.00 -2.14 0.00 0.00 52.86 50.14 3h1k s ASN 49 Cb 0.00 0.60 0.29 0.00 1.28 0.00 0.00 41.25 43.41 3h1k s ASN 49 CO 0.00 -1.08 1.56 -0.08 -2.04 0.00 0.00 177.10 175.46 3h1k h GLU 50 N 2.00 -0.02 0.00 3.55 4.81 -1.99 0.74 114.58 123.67 3h1k h GLU 50 Ca -0.23 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.91 3h1k h GLU 50 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 3h1k h GLU 50 CO 0.26 -0.01 -0.45 0.87 -0.73 0.00 0.00 179.01 178.94 3h1k h LYS 51 N -0.02 0.00 0.00 1.92 1.57 -2.04 -3.32 116.57 114.68 3h1k h LYS 51 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3h1k h LYS 51 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3h1k h LYS 51 CO -0.95 0.45 -1.28 0.27 -0.57 0.00 0.00 179.45 177.38 3h1k n ASN 52 N -3.39 0.94 -1.64 0.86 0.23 -0.65 -4.91 115.26 106.69 3h1k n ASN 52 Ca 0.01 -0.45 -0.23 0.00 -0.53 0.00 0.00 54.58 53.38 3h1k n ASN 52 Cb 0.62 1.39 -0.05 0.00 -2.08 0.00 0.00 39.78 39.66 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 -1.74 0.30 0.00 0.53 4.05 0.25 -1.66 115.26 116.99 3h1k n ASN 53 Ca 0.00 0.27 0.00 0.00 0.45 0.00 0.00 54.58 55.30 3h1k n ASN 53 Cb 0.35 -0.35 0.00 0.00 1.23 0.00 0.00 39.78 41.01 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 2.83 0.94 0.32 8.20 0.00 -1.26 -3.81 105.19 112.42 3h1k n GLY 54 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.76 -0.62 4.61 0.00 -1.66 -1.40 119.26 119.43 3h1k h ALA 55 Ca 0.00 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.91 3h1k h ALA 55 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3h1k h ALA 55 CO 0.00 -0.88 0.80 0.78 0.00 0.00 0.00 179.25 179.95 3h1k h GLY 56 N -0.85 0.00 0.03 0.00 0.00 -1.87 0.54 103.07 100.92 3h1k h GLY 56 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.97 3h1k h GLY 56 CO 0.13 0.00 -1.52 2.98 0.00 0.00 0.00 176.54 178.13 3h1k n TYR 57 N -3.38 0.86 -0.25 5.60 9.36 -1.12 -2.25 117.16 125.98 3h1k n TYR 57 Ca 0.13 0.36 0.14 0.00 3.32 0.00 0.00 57.90 61.85 3h1k n TYR 57 Cb 1.01 -1.09 0.43 0.00 -0.63 0.00 0.00 39.34 39.06 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 -0.93 0.71 0.32 2.98 -0.00 0.15 0.35 116.94 120.52 3h1k h PHE 58 Ca -0.41 0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 57.56 3h1k h PHE 58 Cb 1.40 -0.22 0.00 0.00 -0.00 0.00 0.00 35.95 37.13 3h1k h PHE 58 CO 0.07 0.24 -0.15 0.28 -0.00 0.00 0.00 178.31 178.74 3h1k h VAL 59 N 0.58 0.59 -1.12 1.41 2.07 -0.17 -2.52 116.25 117.09 3h1k h VAL 59 Ca 0.45 -0.70 0.32 0.00 0.82 0.00 0.00 66.70 67.60 3h1k h VAL 59 Cb 0.87 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3h1k h VAL 59 CO -0.20 0.12 0.92 -0.08 0.02 0.00 0.00 177.57 178.35 3h1k h GLU 60 N -0.87 0.00 0.06 1.57 4.81 -0.29 0.59 114.58 120.44 3h1k h GLU 60 Ca -0.04 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.95 3h1k h GLU 60 Cb 0.52 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 3h1k h GLU 60 CO 0.07 0.00 -1.06 0.45 -0.73 0.00 0.00 179.01 177.75 3h1k h HIS 61 N 0.00 0.42 -0.66 0.92 3.86 -0.11 -3.30 115.15 116.27 3h1k h HIS 61 Ca 0.53 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3h1k h HIS 61 Cb 2.37 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 30.80 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 -3.60 4.60 -0.02 2.43 4.77 0.19 -4.33 117.00 121.04 3h1k n LEU 62 Ca -0.06 -2.32 0.15 0.00 -0.03 0.00 0.00 56.01 53.75 3h1k n LEU 62 Cb 0.92 -0.57 0.78 0.00 -2.33 0.00 0.00 43.42 42.22 3h1k n LEU 62 CO 0.51 0.83 1.02 0.00 -1.33 0.00 0.00 177.39 178.42 3h1k n ALA 63 N 1.23 2.57 -0.03 -1.18 0.00 -0.37 -3.61 120.51 119.12 3h1k n ALA 63 Ca 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3h1k n ALA 63 Cb 0.84 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.16 0.00 -0.64 0.00 0.99 -1.26 -4.71 117.46 110.67 3h1k n PHE 64 Ca 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.56 3h1k n PHE 64 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.70 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 -0.66 1.27 0.00 -1.08 4.76 -1.24 -4.71 118.16 116.50 3h1k n LYS 65 Ca 0.00 -0.48 0.00 0.00 -2.87 0.00 0.00 58.31 54.96 3h1k n LYS 65 Cb 0.01 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 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 1.24 0.48 3.23 0.72 0.00 -1.26 -3.82 105.19 105.78 3h1k n GLY 66 Ca 0.10 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.66 0.01 0.20 2.61 -4.23 -1.15 -2.37 115.64 109.05 3h1k s THR 67 Ca 0.00 -1.93 -0.10 0.00 -1.18 0.00 0.00 61.69 58.48 3h1k s THR 67 Cb 0.00 -2.43 0.14 0.00 1.34 0.00 0.00 72.50 71.55 3h1k s THR 67 CO 0.00 -0.04 1.81 0.11 -0.54 0.00 0.00 174.62 175.96 3h1k h LYS 68 N 2.60 1.04 -0.67 3.99 1.57 -1.74 -2.86 116.57 120.50 3h1k h LYS 68 Ca -0.35 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 3h1k h LYS 68 Cb 1.25 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 3h1k h LYS 68 CO 0.52 0.79 0.22 -0.22 -0.57 0.00 0.00 179.45 180.19 3h1k h LYS 69 N 1.03 1.02 -1.69 3.15 3.64 -1.97 -3.41 116.57 118.33 3h1k h LYS 69 Ca 0.26 -0.20 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 3h1k h LYS 69 Cb 0.07 -0.16 -0.28 0.00 -0.41 0.00 0.00 32.23 31.45 3h1k h LYS 69 CO -0.04 0.86 -0.53 -0.98 -2.27 0.00 0.00 179.45 176.49 3h1k s ARG 70 N -5.38 0.42 1.13 1.90 1.70 -1.10 -5.10 118.95 112.53 3h1k s ARG 70 Ca -0.11 0.16 -0.17 0.00 -0.47 0.00 0.00 55.73 55.13 3h1k s ARG 70 Cb 0.16 -0.30 0.17 0.00 -0.57 0.00 0.00 34.95 34.41 3h1k s ARG 70 CO 0.82 -1.02 0.26 -0.35 -1.08 0.00 0.00 175.30 173.93 3h1k n PRO 71 N 5.36 -2.29 0.00 3.89 -0.04 -1.11 -2.95 135.00 137.86 3h1k n PRO 71 Ca 0.01 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 3h1k n PRO 71 Cb 0.49 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.22 -0.29 0.03 0.00 0.00 -1.26 -0.27 120.51 117.51 3h1k n ALA 73 Ca 0.00 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.70 3h1k n ALA 73 Cb 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.10 0.01 0.13 0.00 0.00 -1.71 0.39 119.26 117.99 3h1k h ALA 74 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3h1k h ALA 74 Cb 0.18 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3h1k h ALA 74 CO -0.42 -0.45 -0.50 0.35 0.00 0.00 0.00 179.25 178.23 3h1k h PHE 75 N -0.08 -1.42 0.21 0.00 3.57 0.21 1.72 116.94 121.16 3h1k h PHE 75 Ca 0.00 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.55 3h1k h PHE 75 Cb 0.09 0.60 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 3h1k h PHE 75 CO -0.05 -0.58 -0.33 0.93 -2.23 0.00 0.00 178.31 176.05 3h1k h GLU 76 N -0.73 -0.59 -0.38 1.11 5.08 -0.56 -1.67 114.58 116.84 3h1k h GLU 76 Ca 0.00 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 3h1k h GLU 76 Cb 0.74 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 30.04 3h1k h GLU 76 CO -0.27 -0.39 -0.42 -0.22 -1.00 0.00 0.00 179.01 176.71 3h1k h LYS 77 N -0.61 -0.32 -0.95 2.33 3.64 0.38 0.08 116.57 121.11 3h1k h LYS 77 Ca 0.01 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.60 3h1k h LYS 77 Cb 0.60 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.39 3h1k h LYS 77 CO -0.14 -0.21 0.54 1.49 -2.27 0.00 0.00 179.45 178.86 3h1k h GLU 78 N -0.33 0.64 0.06 1.90 4.81 0.30 -1.12 114.58 120.83 3h1k h GLU 78 Ca 0.14 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 3h1k h GLU 78 Cb 0.58 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.83 3h1k h GLU 78 CO -0.55 0.42 -0.37 0.28 -0.73 0.00 0.00 179.01 178.05 3h1k h VAL 79 N 0.66 1.64 0.46 0.32 2.07 -0.23 -3.31 116.25 117.86 3h1k h VAL 79 Ca 0.56 -2.35 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 3h1k h VAL 79 Cb 0.91 3.20 -0.02 0.00 -1.52 0.00 0.00 31.29 33.87 3h1k h VAL 79 CO -0.41 0.64 -0.44 -0.33 0.02 0.00 0.00 177.57 177.05 3h1k h GLU 80 N -0.65 -0.88 0.00 1.57 5.08 -0.88 -2.49 114.58 116.33 3h1k h GLU 80 Ca -0.06 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h1k h GLU 80 Cb 1.26 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.71 3h1k h GLU 80 CO 0.07 -0.58 0.55 -1.13 -1.00 0.00 0.00 179.01 176.92 3h1k n SER 81 N -5.53 0.13 -0.38 1.42 3.41 -0.44 0.11 113.62 112.34 3h1k n SER 81 Ca -0.11 0.35 0.04 0.00 -0.26 0.00 0.00 58.87 58.88 3h1k n SER 81 Cb 0.43 -0.19 0.08 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 -1.81 2.30 -1.01 4.33 0.00 -0.95 -4.98 117.12 115.00 3h1k n MET 82 Ca -0.00 -1.66 -0.00 0.00 0.00 0.00 0.00 57.70 56.04 3h1k n MET 82 Cb 0.56 -1.16 -0.00 0.00 0.00 0.00 0.00 33.22 32.62 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 0.20 0.36 3.83 3.17 0.00 0.30 -4.83 105.19 108.22 3h1k n GLY 83 Ca 0.07 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.70 2.87 -0.29 4.61 0.00 -1.12 -4.81 121.76 121.32 3h1k s ALA 84 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.14 3h1k s ALA 84 Cb 0.00 -3.16 0.07 0.00 0.00 0.00 0.00 23.12 20.04 3h1k s ALA 84 CO 0.00 -0.79 -0.05 -1.01 0.00 0.00 0.00 175.76 173.91 3h1k s HIS 85 N -2.83 3.32 -0.36 0.00 0.09 0.19 -4.62 115.29 111.08 3h1k s HIS 85 Ca 0.59 -2.49 -0.16 0.00 -0.00 0.00 0.00 55.06 53.00 3h1k s HIS 85 Cb -0.13 -2.22 -0.00 0.00 -0.00 0.00 0.00 32.58 30.22 3h1k s HIS 85 CO 0.45 -0.89 0.41 0.12 -0.00 0.00 0.00 174.74 174.82 3h1k s PHE 86 N 1.07 3.20 0.39 1.40 2.19 -1.26 -0.26 117.98 124.71 3h1k s PHE 86 Ca -0.02 -0.05 0.04 0.00 0.33 0.00 0.00 56.93 57.23 3h1k s PHE 86 Cb -0.19 -2.77 -0.04 0.00 -1.31 0.00 0.00 43.02 38.71 3h1k s PHE 86 CO -0.07 -0.51 0.08 1.21 1.83 0.00 0.00 175.22 177.77 3h1k s ASN 87 N 1.75 2.86 0.00 6.13 3.84 0.68 -5.00 114.94 125.21 3h1k s ASN 87 Ca 0.13 -1.55 0.00 0.00 0.21 0.00 0.00 52.86 51.65 3h1k s ASN 87 Cb -0.16 0.26 0.00 0.00 -0.55 0.00 0.00 41.25 40.79 3h1k s ASN 87 CO 0.12 -0.78 0.00 0.61 -2.79 0.00 0.00 177.10 174.26 3h1k n GLY 88 N -0.88 1.55 1.44 1.21 0.00 -1.26 -0.40 105.19 106.84 3h1k n GLY 88 Ca -0.06 -0.71 -0.09 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 -0.36 -0.27 -3.15 1.61 0.18 0.81 -4.97 117.16 111.01 3h1k n TYR 89 Ca 0.00 -1.23 0.05 0.00 1.88 0.00 0.00 57.90 58.60 3h1k n TYR 89 Cb 0.00 0.10 -0.00 0.00 -0.38 0.00 0.00 39.34 39.06 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 -2.53 -0.65 0.57 -3.48 -1.32 -1.26 -0.45 115.64 106.53 3h1k s THR 90 Ca 0.16 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.71 3h1k s THR 90 Cb 0.01 -0.75 0.06 0.00 -1.51 0.00 0.00 72.50 70.31 3h1k s THR 90 CO 0.11 0.00 0.55 -0.94 -2.21 0.00 0.00 174.62 172.13 3h1k s SER 91 N 2.90 4.74 0.35 8.08 1.04 -0.66 -4.94 113.70 125.20 3h1k s SER 91 Ca 0.16 -1.18 0.14 0.00 0.48 0.00 0.00 55.95 55.55 3h1k s SER 91 Cb -0.08 0.52 1.03 0.00 0.10 0.00 0.00 66.02 67.59 3h1k s SER 91 CO -0.22 -1.25 1.71 0.03 0.98 0.00 0.00 173.24 174.49 3h1k h ARG 92 N 0.51 0.42 0.00 4.02 3.08 -1.92 -2.95 114.38 117.54 3h1k h ARG 92 Ca -0.34 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3h1k h ARG 92 Cb 1.30 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3h1k h ARG 92 CO 0.51 0.28 -0.15 0.39 -1.07 0.00 0.00 179.97 179.94 3h1k n GLU 93 N -4.86 1.01 -3.20 0.04 1.02 -1.26 -0.49 120.64 112.89 3h1k n GLU 93 Ca 0.29 -1.91 0.04 0.00 -0.02 0.00 0.00 57.16 55.56 3h1k n GLU 93 Cb 0.89 -1.11 -0.02 0.00 -0.02 0.00 0.00 31.44 31.18 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 -1.71 0.36 0.30 3.49 0.74 0.12 -4.24 119.66 118.72 3h1k s GLN 94 Ca 0.18 0.69 0.04 0.00 0.05 0.00 0.00 55.36 56.31 3h1k s GLN 94 Cb 0.16 0.39 -0.03 0.00 1.10 0.00 0.00 33.01 34.63 3h1k s GLN 94 CO 0.02 -0.35 0.45 0.99 -0.55 0.00 0.00 175.29 175.84 3h1k s THR 95 N 2.86 4.97 -0.28 -0.34 2.01 -0.36 -1.66 115.64 122.84 3h1k s THR 95 Ca 0.07 -0.80 -0.20 0.00 0.31 0.00 0.00 61.69 61.07 3h1k s THR 95 Cb -0.12 -3.78 0.09 0.00 0.01 0.00 0.00 72.50 68.71 3h1k s THR 95 CO -0.16 -0.37 0.80 0.00 -0.69 0.00 0.00 174.62 174.19 3h1k s ALA 96 N -2.14 -1.94 -0.10 7.40 0.00 0.41 -2.23 121.76 123.15 3h1k s ALA 96 Ca 0.38 2.20 0.00 0.00 0.00 0.00 0.00 51.96 54.55 3h1k s ALA 96 Cb -0.09 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.64 3h1k s ALA 96 CO 0.32 -0.34 -0.09 -0.06 0.00 0.00 0.00 175.76 175.59 3h1k s PHE 97 N 1.05 1.49 0.07 0.00 0.40 -0.76 -0.14 117.98 120.09 3h1k s PHE 97 Ca -0.05 -0.71 0.01 0.00 -0.60 0.00 0.00 56.93 55.57 3h1k s PHE 97 Cb -0.05 -1.21 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 3h1k s PHE 97 CO -0.12 -0.47 -0.05 1.52 0.70 0.00 0.00 175.22 176.80 3h1k s TYR 98 N 1.51 0.68 0.05 0.36 -0.85 0.46 -0.40 117.35 119.16 3h1k s TYR 98 Ca 0.01 -0.92 0.06 0.00 -0.52 0.00 0.00 57.07 55.70 3h1k s TYR 98 Cb -0.13 -0.44 -0.02 0.00 0.38 0.00 0.00 41.96 41.75 3h1k s TYR 98 CO -0.06 -0.24 -0.17 0.42 -1.52 0.00 0.00 175.55 173.97 3h1k s ILE 99 N -3.44 1.39 -0.13 -3.49 1.01 0.31 -0.23 121.20 116.62 3h1k s ILE 99 Ca 0.06 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.60 3h1k s ILE 99 Cb 0.04 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 3h1k s ILE 99 CO -0.06 0.09 -0.16 -0.54 0.00 0.00 0.00 174.94 174.26 3h1k s LYS 100 N -1.21 3.28 0.15 2.79 1.02 0.64 -0.89 119.74 125.52 3h1k s LYS 100 Ca 0.04 -0.74 -0.14 0.00 0.02 0.00 0.00 55.97 55.16 3h1k s LYS 100 Cb -0.08 -2.56 0.05 0.00 -0.52 0.00 0.00 37.83 34.72 3h1k s LYS 100 CO 0.02 0.17 0.66 0.00 -0.92 0.00 0.00 175.35 175.28 3h1k n ALA 101 N 3.62 -1.69 -1.81 5.17 0.00 -0.90 0.57 120.51 125.47 3h1k n ALA 101 Ca -0.18 -0.72 -0.41 0.00 0.00 0.00 0.00 53.44 52.13 3h1k n ALA 101 Cb 0.53 0.44 -0.02 0.00 0.00 0.00 0.00 19.45 20.39 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 4.41 0.64 0.00 1.43 -1.26 0.25 118.68 124.15 3h1k s LEU 102 Ca 0.14 2.67 0.28 0.00 -1.03 0.00 0.00 54.13 56.20 3h1k s LEU 102 Cb -0.02 -3.64 1.51 0.00 0.03 0.00 0.00 46.19 44.07 3h1k s LEU 102 CO 0.05 -0.58 1.87 0.28 0.23 0.00 0.00 176.35 178.19 3h1k h SER 103 N 3.90 0.00 0.58 2.29 0.02 -0.39 -0.73 113.55 119.22 3h1k h SER 103 Ca -0.48 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 3h1k h SER 103 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3h1k h SER 103 CO 0.69 0.00 -0.44 0.50 -1.14 0.00 0.00 176.83 176.44 3h1k h LYS 104 N 0.00 -0.95 0.00 3.45 3.64 -1.89 -1.67 116.57 119.15 3h1k h LYS 104 Ca 0.06 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3h1k h LYS 104 Cb 0.88 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 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 -5.55 0.00 0.00 4.20 8.00 -0.28 -4.28 116.55 118.63 3h1k n ASP 105 Ca -0.12 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.65 3h1k n ASP 105 Cb 0.44 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.34 0.00 0.00 -1.24 0.00 -0.63 -0.97 117.12 112.95 3h1k n MET 106 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.73 3h1k n MET 106 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.27 3h1k n MET 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3h1k n PRO 107 N -2.29 0.00 -0.14 2.12 -0.04 -1.26 -3.07 135.00 130.32 3h1k n PRO 107 Ca 0.00 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 3h1k n PRO 107 Cb 0.00 -1.30 0.21 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.57 -0.03 0.08 0.54 3.00 -0.65 0.93 118.16 120.45 3h1k n LYS 108 Ca 0.00 0.62 -0.06 0.00 -0.00 0.00 0.00 58.31 58.87 3h1k n LYS 108 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 35.03 33.92 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 -0.72 3.15 2.07 -0.98 -2.55 116.25 117.22 3h1k h VAL 109 Ca 0.34 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.04 3h1k h VAL 109 Cb 0.84 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.47 3h1k h VAL 109 CO -0.36 0.00 -0.03 0.52 0.02 0.00 0.00 177.57 177.71 3h1k n VAL 110 N -3.53 -0.30 -0.16 2.57 0.31 0.26 0.16 118.33 117.65 3h1k n VAL 110 Ca -0.04 1.61 -0.07 0.00 -0.01 0.00 0.00 64.34 65.83 3h1k n VAL 110 Cb 0.16 -2.31 -0.01 0.00 -0.91 0.00 0.00 33.84 30.77 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 -0.22 0.34 5.55 4.81 -1.39 0.52 114.58 124.20 3h1k h GLU 111 Ca 0.42 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.66 3h1k h GLU 111 Cb 0.81 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 3h1k h GLU 111 CO -0.69 -0.14 -0.43 -0.07 -0.73 0.00 0.00 179.01 176.94 3h1k h LEU 112 N -0.22 -1.20 -0.17 1.64 3.38 0.17 0.35 115.31 119.26 3h1k h LEU 112 Ca 0.19 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.30 3h1k h LEU 112 Cb 0.55 0.42 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 3h1k h LEU 112 CO -0.60 -0.56 -0.55 -0.07 0.09 0.00 0.00 178.44 176.75 3h1k h LEU 113 N -0.82 -1.75 -0.71 1.67 3.38 -0.66 -1.05 115.31 115.38 3h1k h LEU 113 Ca -0.03 0.21 0.16 0.00 0.09 0.00 0.00 57.88 58.31 3h1k h LEU 113 Cb 0.75 0.69 -0.12 0.00 0.09 0.00 0.00 40.66 42.06 3h1k h LEU 113 CO -0.12 -0.48 -0.01 0.00 0.09 0.00 0.00 178.44 177.92 3h1k h ALA 114 N -0.27 0.70 0.41 1.53 0.00 0.33 -1.71 119.26 120.26 3h1k h ALA 114 Ca 0.04 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3h1k h ALA 114 Cb 0.67 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3h1k h ALA 114 CO -0.46 -0.41 -0.31 0.22 0.00 0.00 0.00 179.25 178.29 3h1k h ASP 115 N 0.10 -0.81 -0.53 0.00 3.58 0.70 -2.58 116.42 116.87 3h1k h ASP 115 Ca 0.38 0.06 0.09 0.00 0.42 0.00 0.00 57.03 57.98 3h1k h ASP 115 Cb 0.64 0.26 -0.10 0.00 1.72 0.00 0.00 39.33 41.84 3h1k h ASP 115 CO -0.63 -0.46 -0.38 0.58 -2.88 0.00 0.00 179.24 175.46 3h1k h VAL 116 N -0.71 0.14 0.52 2.25 2.07 -0.32 0.14 116.25 120.34 3h1k h VAL 116 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3h1k h VAL 116 Cb 0.61 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3h1k h VAL 116 CO -0.00 0.00 -0.30 -0.37 0.02 0.00 0.00 177.57 176.92 3h1k h VAL 117 N -0.22 0.39 0.00 2.57 -1.51 -1.45 -3.20 116.25 112.82 3h1k h VAL 117 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 3h1k h VAL 117 Cb 0.56 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.11 3h1k h VAL 117 CO -0.65 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 175.69 3h1k n GLN 118 N -5.44 0.00 -1.69 5.19 6.02 -0.98 -4.38 117.38 116.10 3h1k n GLN 118 Ca -0.12 0.35 -0.33 0.00 -0.01 0.00 0.00 57.00 56.89 3h1k n GLN 118 Cb 0.33 -0.99 -0.04 0.00 1.02 0.00 0.00 30.24 30.56 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 -1.55 7.31 -4.72 1.08 3.02 0.45 -4.97 115.26 115.89 3h1k n ASN 119 Ca 0.00 -3.09 -0.42 0.00 -0.03 0.00 0.00 54.58 51.04 3h1k n ASN 119 Cb 0.00 -1.33 -0.03 0.00 -0.61 0.00 0.00 39.78 37.81 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 3.78 -0.03 -2.78 0.00 0.00 -1.00 -4.65 120.51 115.84 3h1k n ALA 121 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 3h1k n ALA 121 Cb 0.46 0.29 0.02 0.00 0.00 0.00 0.00 19.45 20.23 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 -1.64 -2.32 -4.62 0.00 4.77 -1.26 -4.81 117.00 107.12 3h1k n LEU 122 Ca 0.00 -0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.39 3h1k n LEU 122 Cb 0.00 -1.41 -0.03 0.00 -2.33 0.00 0.00 43.42 39.65 3h1k n LEU 122 CO 0.00 0.19 1.78 -0.70 -1.33 0.00 0.00 177.39 177.33 3h1k s GLU 123 N -5.30 3.44 0.61 3.23 2.56 -1.26 -4.81 118.70 117.17 3h1k s GLU 123 Ca 0.18 2.22 0.27 0.00 0.00 0.00 0.00 54.97 57.64 3h1k s GLU 123 Cb -0.08 -4.31 1.34 0.00 2.00 0.00 0.00 34.13 33.08 3h1k s GLU 123 CO 0.22 -1.76 1.75 1.49 -0.56 0.00 0.00 175.26 176.41 3h1k h GLU 124 N 13.72 0.00 0.00 4.30 4.81 -2.01 0.28 114.58 135.68 3h1k h GLU 124 Ca -0.44 0.00 -0.08 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 30.61 3h1k h GLU 124 CO 0.95 0.00 -0.40 0.66 -0.73 0.00 0.00 179.01 179.49 3h1k h SER 125 N 0.00 0.00 1.33 1.04 4.64 -2.02 -3.03 113.55 115.51 3h1k h SER 125 Ca 0.21 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 3h1k h SER 125 Cb 1.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 3h1k h SER 125 CO -0.00 0.40 -0.69 -0.61 -0.87 0.00 0.00 176.83 175.07 3h1k h GLN 126 N 0.00 0.00 0.60 4.77 5.75 -0.82 -3.36 115.11 122.05 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 0.92 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.48 3h1k h GLN 126 CO 0.05 0.14 -0.29 0.82 -2.65 0.00 0.00 178.83 176.91 3h1k h ILE 127 N 0.00 0.02 0.00 2.39 2.04 -1.40 -0.25 117.51 120.31 3h1k h ILE 127 Ca -0.03 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3h1k h ILE 127 Cb 1.17 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3h1k h ILE 127 CO 0.02 0.00 0.27 -0.62 0.00 0.00 0.00 178.15 177.83 3h1k n GLU 128 N -5.31 0.05 -0.03 2.37 -0.58 -1.23 0.15 120.64 116.07 3h1k n GLU 128 Ca -0.10 0.44 -0.18 0.00 -0.42 0.00 0.00 57.16 56.90 3h1k n GLU 128 Cb 0.32 -1.94 -0.14 0.00 -0.57 0.00 0.00 31.44 29.12 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 -1.72 0.72 0.00 3.49 0.00 -1.03 -4.00 118.16 115.62 3h1k n LYS 129 Ca -0.00 0.24 0.13 0.00 0.00 0.00 0.00 58.31 58.67 3h1k n LYS 129 Cb 0.29 -1.68 0.59 0.00 0.00 0.00 0.00 35.03 34.22 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 -3.35 0.08 0.09 1.64 -0.58 0.40 -3.37 120.64 115.55 3h1k n GLU 130 Ca -0.32 0.04 -0.08 0.00 -0.42 0.00 0.00 57.16 56.38 3h1k n GLU 130 Cb 1.04 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 30.36 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 -0.30 -0.64 3.49 2.43 -1.01 -2.50 114.38 115.85 3h1k h ARG 131 Ca 0.00 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.35 3h1k h ARG 131 Cb 0.41 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 3h1k h ARG 131 CO 0.00 -0.01 0.44 0.78 -1.51 0.00 0.00 179.97 179.67 3h1k h GLY 132 N -1.00 0.25 0.23 2.80 0.00 -1.72 -1.16 103.07 102.46 3h1k h GLY 132 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3h1k h GLY 132 CO 0.05 0.02 -0.11 -2.08 0.00 0.00 0.00 176.54 174.42 3h1k h VAL 133 N 0.15 0.00 -0.49 4.60 2.07 -1.56 -2.39 116.25 118.63 3h1k h VAL 133 Ca 0.31 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.85 3h1k h VAL 133 Cb 1.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.68 3h1k h VAL 133 CO -0.04 0.00 -0.50 0.40 0.02 0.00 0.00 177.57 177.45 3h1k h ILE 134 N -0.35 0.05 -1.32 4.57 2.04 -1.20 0.86 117.51 122.15 3h1k h ILE 134 Ca -0.03 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.21 3h1k h ILE 134 Cb 0.23 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 3h1k h ILE 134 CO 0.05 0.00 1.24 0.18 0.00 0.00 0.00 178.15 179.62 3h1k n LEU 135 N -5.39 0.00 -0.09 1.44 4.77 -0.46 0.87 117.00 118.15 3h1k n LEU 135 Ca -0.01 0.80 -0.16 0.00 -0.03 0.00 0.00 56.01 56.61 3h1k n LEU 135 Cb 0.34 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 3h1k n LEU 135 CO -0.00 -0.80 -0.29 1.56 -1.33 0.00 0.00 177.39 176.53 3h1k h GLN 136 N 0.00 0.00 -0.43 3.23 1.08 0.12 -3.26 115.11 115.85 3h1k h GLN 136 Ca 0.63 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.95 3h1k h GLN 136 Cb 3.09 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 30.51 3h1k h GLN 136 CO -0.01 0.77 0.65 0.93 -0.95 0.00 0.00 178.83 180.23 3h1k h GLU 137 N -1.00 0.00 0.16 1.46 5.08 0.19 0.99 114.58 121.46 3h1k h GLU 137 Ca -0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3h1k h GLU 137 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3h1k h GLU 137 CO -0.12 0.00 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.74 3h1k h LEU 138 N 0.00 -0.18 -1.08 1.33 3.38 -1.23 0.79 115.31 118.32 3h1k h LEU 138 Ca 0.20 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3h1k h LEU 138 Cb 1.51 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.31 3h1k h LEU 138 CO -0.00 0.02 0.58 0.11 0.09 0.00 0.00 178.44 179.23 3h1k h LYS 139 N -0.51 0.00 0.02 1.13 1.57 -0.91 1.03 116.57 118.90 3h1k h LYS 139 Ca -0.02 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.40 3h1k h LYS 139 Cb 0.16 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 3h1k h LYS 139 CO 0.04 0.00 -2.18 0.39 -0.57 0.00 0.00 179.45 177.12 3h1k n GLU 140 N -2.59 0.68 0.18 3.15 1.02 -0.38 -3.91 120.64 118.79 3h1k n GLU 140 Ca -0.01 0.15 0.13 0.00 -0.02 0.00 0.00 57.16 57.41 3h1k n GLU 140 Cb 0.60 -1.62 0.40 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.01 0.00 -0.12 3.49 2.86 0.27 -2.94 114.93 118.51 3h1k h MET 141 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3h1k h MET 141 Cb 2.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.73 3h1k h MET 141 CO 0.02 0.00 0.00 -3.47 1.06 0.00 0.00 176.91 174.52 3h1k n ASP 142 N -2.66 0.12 -0.59 1.22 2.03 0.29 -2.49 116.55 114.47 3h1k n ASP 142 Ca 0.04 -1.54 0.04 0.00 0.52 0.00 0.00 54.79 53.85 3h1k n ASP 142 Cb 0.41 -0.06 0.06 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.41 0.91 -3.73 1.67 3.02 -1.11 -4.88 115.26 110.74 3h1k n ASN 143 Ca 0.00 -2.44 -0.31 0.00 -0.03 0.00 0.00 54.58 51.80 3h1k n ASN 143 Cb 0.03 -0.30 -0.08 0.00 -0.61 0.00 0.00 39.78 38.82 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 -0.36 3.97 -0.28 6.41 2.03 -1.04 -4.95 116.55 122.34 3h1k n ASP 144 Ca 0.07 -3.33 0.18 0.00 0.52 0.00 0.00 54.79 52.22 3h1k n ASP 144 Cb 0.77 -0.83 0.34 0.00 -0.72 0.00 0.00 41.12 40.68 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 1.42 -0.06 -0.33 -0.67 2.81 -1.26 0.15 117.12 119.18 3h1k n MET 145 Ca 0.26 1.21 0.21 0.00 -1.81 0.00 0.00 57.70 57.56 3h1k n MET 145 Cb 0.38 -2.01 0.46 0.00 -0.71 0.00 0.00 33.22 31.34 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 0.52 0.00 2.03 2.02 -1.97 0.11 112.91 115.62 3h1k h THR 146 Ca 0.58 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.55 3h1k h THR 146 Cb 1.37 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3h1k h THR 146 CO -0.73 0.08 -0.58 0.78 0.37 0.00 0.00 175.52 175.45 3h1k h ASN 147 N 0.46 0.00 -1.08 4.18 2.35 0.10 -3.16 115.58 118.44 3h1k h ASN 147 Ca 0.62 -0.19 0.38 0.00 -0.55 0.00 0.00 56.30 56.55 3h1k h ASN 147 Cb 1.41 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.67 3h1k h ASN 147 CO -0.36 0.91 0.69 0.52 -1.65 0.00 0.00 177.43 177.54 3h1k n VAL 148 N -4.60 -0.21 0.00 2.81 0.31 -0.74 0.15 118.33 116.05 3h1k n VAL 148 Ca -0.12 1.44 0.00 0.00 -0.01 0.00 0.00 64.34 65.64 3h1k n VAL 148 Cb 0.34 -2.36 0.00 0.00 -0.91 0.00 0.00 33.84 30.91 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 -4.30 0.00 -0.32 2.52 -1.04 0.35 -1.97 114.28 109.51 3h1k n THR 149 Ca 0.32 1.14 0.19 0.00 -2.04 0.00 0.00 64.05 63.66 3h1k n THR 149 Cb 1.23 -2.11 0.39 0.00 -1.82 0.00 0.00 70.33 68.02 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 0.45 0.95 -1.42 -1.00 -0.26 0.86 116.94 116.52 3h1k h PHE 150 Ca 0.00 0.05 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 3h1k h PHE 150 Cb 0.00 -0.04 0.01 0.00 3.61 0.00 0.00 35.95 39.53 3h1k h PHE 150 CO 0.14 -0.32 -0.47 -0.44 -1.61 0.00 0.00 178.31 175.61 3h1k h ASP 151 N 0.13 -1.12 -0.93 2.17 3.32 -0.95 0.63 116.42 119.67 3h1k h ASP 151 Ca 0.66 0.04 0.21 0.00 0.02 0.00 0.00 57.03 57.96 3h1k h ASP 151 Cb 1.49 0.30 -0.12 0.00 0.22 0.00 0.00 39.33 41.22 3h1k h ASP 151 CO -0.74 -0.79 0.48 1.88 -1.72 0.00 0.00 179.24 178.35 3h1k h TYR 152 N -1.30 0.82 -0.03 4.55 0.99 -0.09 0.27 116.97 122.19 3h1k h TYR 152 Ca -0.13 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.67 3h1k h TYR 152 Cb 1.00 -0.22 -0.05 0.00 1.00 0.00 0.00 36.73 38.46 3h1k h TYR 152 CO -0.00 0.06 -0.25 1.25 -0.00 0.00 0.00 178.16 179.21 3h1k h LEU 153 N 0.53 -0.75 0.12 3.88 5.85 0.12 -2.55 115.31 122.51 3h1k h LEU 153 Ca 0.57 0.11 0.01 0.00 0.84 0.00 0.00 57.88 59.40 3h1k h LEU 153 Cb 1.01 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 3h1k h LEU 153 CO -0.47 -0.32 -0.17 0.45 -0.34 0.00 0.00 178.44 177.60 3h1k h HIS 154 N -0.37 -0.45 0.00 1.25 3.86 0.17 0.17 115.15 119.78 3h1k h HIS 154 Ca 0.07 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3h1k h HIS 154 Cb 0.47 0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.12 3h1k h HIS 154 CO -0.30 -0.26 0.40 0.00 0.86 0.00 0.00 177.93 178.63 3h1k h ALA 155 N 0.48 1.31 0.00 2.45 0.00 -0.31 0.21 119.26 123.39 3h1k h ALA 155 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3h1k h ALA 155 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3h1k h ALA 155 CO -0.08 -0.31 -1.30 -2.37 0.00 0.00 0.00 179.25 175.19 3h1k n THR 156 N -2.22 0.30 -0.20 0.00 5.66 -1.03 -3.15 114.28 113.64 3h1k n THR 156 Ca -0.01 -0.15 0.05 0.00 -3.05 0.00 0.00 64.05 60.89 3h1k n THR 156 Cb 0.42 -0.78 0.32 0.00 -1.55 0.00 0.00 70.33 68.73 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 0.10 1.62 0.00 1.79 0.00 0.83 -3.27 119.26 120.33 3h1k h ALA 157 Ca -0.12 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3h1k h ALA 157 Cb 1.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3h1k h ALA 157 CO -0.01 0.28 -1.63 1.19 0.00 0.00 0.00 179.25 179.08 3h1k n PHE 158 N -4.47 0.00 -0.04 0.00 3.01 0.59 -1.31 117.46 115.24 3h1k n PHE 158 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 3h1k n PHE 158 Cb 0.18 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.20 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 -2.53 0.00 -1.01 -1.08 10.64 -1.19 -3.76 117.38 118.46 3h1k n GLN 159 Ca -0.17 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.00 3h1k n GLN 159 Cb 0.76 -0.01 -0.00 0.00 -0.86 0.00 0.00 30.24 30.13 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 0.71 0.41 3.19 2.61 0.00 -1.26 -4.92 105.19 105.94 3h1k n GLY 160 Ca 0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.01 0.42 0.25 2.61 -4.23 -1.25 -4.96 115.64 106.47 3h1k s THR 161 Ca 0.00 -1.94 -0.05 0.00 -1.18 0.00 0.00 61.69 58.52 3h1k s THR 161 Cb 0.00 -2.02 0.23 0.00 1.34 0.00 0.00 72.50 72.05 3h1k s THR 161 CO 0.00 -0.54 1.87 0.00 -0.54 0.00 0.00 174.62 175.41 3h1k h ALA 162 N 2.81 1.23 0.00 3.99 0.00 -1.91 -1.33 119.26 124.05 3h1k h ALA 162 Ca -0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3h1k h ALA 162 Cb 1.19 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3h1k h ALA 162 CO 0.62 0.37 -0.00 -0.07 0.00 0.00 0.00 179.25 180.16 3h1k h LEU 163 N 1.07 0.00 -1.05 0.00 3.38 -1.93 -2.17 115.31 114.61 3h1k h LEU 163 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3h1k h LEU 163 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3h1k h LEU 163 CO -0.16 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.38 3h1k n ALA 164 N -2.10 2.55 -2.55 1.53 0.00 -0.50 -4.64 120.51 114.78 3h1k n ALA 164 Ca -0.03 -0.07 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 3h1k n ALA 164 Cb 0.10 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.10 2.56 0.55 0.00 0.52 -0.82 -4.29 118.95 116.38 3h1k s ARG 165 Ca 0.02 -0.68 -0.20 0.00 -0.52 0.00 0.00 55.73 54.35 3h1k s ARG 165 Cb 0.01 -2.48 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 3h1k s ARG 165 CO 0.01 0.62 1.19 0.95 0.02 0.00 0.00 175.30 178.08 3h1k s THR 166 N -0.87 2.83 -0.67 0.02 -4.23 -1.26 -4.92 115.64 106.54 3h1k s THR 166 Ca 0.14 0.54 0.26 0.00 -1.18 0.00 0.00 61.69 61.45 3h1k s THR 166 Cb -0.11 -3.23 0.29 0.00 1.34 0.00 0.00 72.50 70.79 3h1k s THR 166 CO 0.04 -0.09 1.74 0.58 -0.54 0.00 0.00 174.62 176.35 3h1k h VAL 167 N 1.18 0.00 0.00 2.29 2.07 -1.97 -2.90 116.25 116.92 3h1k h VAL 167 Ca -0.50 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3h1k h VAL 167 Cb 1.28 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3h1k h VAL 167 CO 0.57 0.00 -0.48 -0.62 0.02 0.00 0.00 177.57 177.06 3h1k n GLU 168 N -2.42 0.04 -0.33 1.57 4.71 -1.26 -4.47 120.64 118.48 3h1k n GLU 168 Ca 0.05 0.01 0.04 0.00 -0.01 0.00 0.00 57.16 57.26 3h1k n GLU 168 Cb 0.45 -1.53 -0.01 0.00 -1.01 0.00 0.00 31.44 29.34 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 1.48 -1.66 3.65 0.62 0.00 -1.10 -4.63 105.19 103.55 3h1k n GLY 169 Ca 0.05 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.64 1.99 0.08 2.61 2.01 -1.25 -4.90 115.64 114.54 3h1k s THR 170 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 3h1k s THR 170 Cb 0.00 -2.44 -0.27 0.00 0.01 0.00 0.00 72.50 69.79 3h1k s THR 170 CO 0.00 0.00 1.14 0.00 -0.69 0.00 0.00 174.62 175.07 3h1k h THR 171 N -2.04 1.51 0.68 -0.82 1.03 -1.95 -3.03 112.91 108.29 3h1k h THR 171 Ca -0.56 -3.10 -0.03 0.00 -0.01 0.00 0.00 66.41 62.71 3h1k h THR 171 Cb 1.33 2.92 0.01 0.00 -1.07 0.00 0.00 68.15 71.35 3h1k h THR 171 CO 0.57 0.90 -0.33 -0.33 -0.01 0.00 0.00 175.52 176.32 3h1k h GLU 172 N 0.06 -0.88 -0.81 0.00 4.39 -1.98 -2.47 114.58 112.90 3h1k h GLU 172 Ca -0.12 0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.75 3h1k h GLU 172 Cb 1.95 0.20 -0.13 0.00 -0.10 0.00 0.00 28.75 30.67 3h1k h GLU 172 CO 0.19 -0.56 -0.44 -0.91 -1.16 0.00 0.00 179.01 176.13 3h1k h ASN 173 N -1.19 -1.56 -0.99 1.42 4.21 -1.86 0.78 115.58 116.40 3h1k h ASN 173 Ca -0.09 0.28 0.16 0.00 1.21 0.00 0.00 56.30 57.86 3h1k h ASN 173 Cb 0.72 0.75 -0.09 0.00 -1.12 0.00 0.00 38.32 38.58 3h1k h ASN 173 CO 0.15 -0.30 0.62 0.40 -1.29 0.00 0.00 177.43 177.01 3h1k h ILE 174 N -0.10 0.79 -0.42 2.81 5.03 -1.55 0.60 117.51 124.67 3h1k h ILE 174 Ca 0.25 -0.28 -0.08 0.00 -0.12 0.00 0.00 64.86 64.63 3h1k h ILE 174 Cb 0.55 -0.09 -0.02 0.00 -3.03 0.00 0.00 36.82 34.23 3h1k h ILE 174 CO -0.85 0.15 -0.08 0.11 -0.68 0.00 0.00 178.15 176.80 3h1k h LYS 175 N 0.80 0.73 -0.01 2.37 1.57 0.10 -3.34 116.57 118.80 3h1k h LYS 175 Ca 0.53 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3h1k h LYS 175 Cb 0.77 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3h1k h LYS 175 CO -0.31 0.80 0.00 0.72 -0.57 0.00 0.00 179.45 180.09 3h1k n HIS 176 N -4.18 0.00 -1.18 -1.35 8.25 -0.25 -5.04 115.22 111.47 3h1k n HIS 176 Ca 0.02 -0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 3h1k n HIS 176 Cb 0.34 -0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.54 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 0.33 1.45 -4.26 2.41 4.77 0.19 -4.98 117.00 116.91 3h1k n LEU 177 Ca 0.03 0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 56.40 3h1k n LEU 177 Cb 0.15 -1.27 -0.11 0.00 -2.33 0.00 0.00 43.42 39.85 3h1k n LEU 177 CO 0.04 -2.88 -0.44 -0.89 -1.33 0.00 0.00 177.39 171.88 3h1k s THR 178 N -2.00 1.37 0.44 -5.08 2.01 -1.26 -4.98 115.64 106.13 3h1k s THR 178 Ca 0.66 -1.86 0.31 0.00 0.31 0.00 0.00 61.69 61.11 3h1k s THR 178 Cb -0.32 -1.68 0.50 0.00 0.01 0.00 0.00 72.50 71.01 3h1k s THR 178 CO 0.58 -0.51 1.60 -0.09 -0.69 0.00 0.00 174.62 175.51 3h1k h ARG 179 N 3.22 0.04 0.00 4.92 1.12 -1.96 0.12 114.38 121.84 3h1k h ARG 179 Ca -0.39 -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 0.55 0.03 0.00 0.00 -3.11 0.00 0.00 179.97 177.44 3h1k n ALA 180 N -2.52 -0.12 -0.33 2.80 0.00 -1.26 -1.84 120.51 117.24 3h1k n ALA 180 Ca 0.39 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.96 3h1k n ALA 180 Cb 1.51 0.03 0.31 0.00 0.00 0.00 0.00 19.45 21.30 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 0.62 -0.57 0.00 5.19 -1.37 0.43 116.42 120.72 3h1k h ASP 181 Ca 0.00 0.12 0.05 0.00 -0.62 0.00 0.00 57.03 56.58 3h1k h ASP 181 Cb 0.00 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.48 3h1k h ASP 181 CO 0.00 0.17 0.30 -0.07 -3.12 0.00 0.00 179.24 176.52 3h1k h LEU 182 N 0.62 0.42 0.42 1.55 3.38 -0.94 -0.40 115.31 120.37 3h1k h LEU 182 Ca 0.56 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.55 3h1k h LEU 182 Cb 0.94 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3h1k h LEU 182 CO -0.43 0.28 -0.29 0.00 0.09 0.00 0.00 178.44 178.10 3h1k h ALA 183 N 1.31 -1.08 -0.88 1.53 0.00 0.53 -2.97 119.26 117.70 3h1k h ALA 183 Ca 0.26 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.28 3h1k h ALA 183 Cb 0.17 0.44 -0.16 0.00 0.00 0.00 0.00 17.79 18.23 3h1k h ALA 183 CO -0.18 -1.07 0.06 0.45 0.00 0.00 0.00 179.25 178.51 3h1k n SER 184 N -4.15 -0.07 0.37 0.00 2.88 -0.14 -0.22 113.62 112.31 3h1k n SER 184 Ca -0.08 1.49 -0.19 0.00 -1.33 0.00 0.00 58.87 58.76 3h1k n SER 184 Cb 0.29 -0.56 -0.10 0.00 -0.75 0.00 0.00 64.21 63.09 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 -1.31 -0.24 0.66 3.20 -0.93 0.61 116.97 118.97 3h1k h TYR 185 Ca 0.55 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.48 3h1k h TYR 185 Cb 1.18 0.48 -0.07 0.00 1.54 0.00 0.00 36.73 39.86 3h1k h TYR 185 CO -0.41 -0.69 -0.26 0.82 -1.64 0.00 0.00 178.16 175.98 3h1k h ILE 186 N -1.11 0.37 -0.13 1.81 2.04 -1.02 1.49 117.51 120.97 3h1k h ILE 186 Ca -0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3h1k h ILE 186 Cb 0.91 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3h1k h ILE 186 CO 0.04 0.00 -0.09 0.44 0.00 0.00 0.00 178.15 178.54 3h1k h ASP 187 N -0.27 -0.34 0.76 1.72 3.32 -0.22 0.15 116.42 121.54 3h1k h ASP 187 Ca 0.13 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 3h1k h ASP 187 Cb 0.47 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3h1k h ASP 187 CO -0.39 -0.05 -0.55 0.74 -1.72 0.00 0.00 179.24 177.27 3h1k h THR 188 N -0.02 1.24 0.01 0.35 2.02 0.60 -3.39 112.91 113.72 3h1k h THR 188 Ca 0.02 -2.00 -0.41 0.00 0.77 0.00 0.00 66.41 64.79 3h1k h THR 188 Cb 0.08 2.13 -0.06 0.00 -1.74 0.00 0.00 68.15 68.56 3h1k h THR 188 CO -0.13 0.54 -2.34 1.41 0.37 0.00 0.00 175.52 175.37 3h1k n HIS 189 N -3.66 0.23 -2.35 3.16 8.25 0.50 -4.72 115.22 116.65 3h1k n HIS 189 Ca -0.01 0.07 -0.41 0.00 -0.26 0.00 0.00 57.72 57.12 3h1k n HIS 189 Cb 0.61 -1.03 -0.01 0.00 1.12 0.00 0.00 29.99 30.68 3h1k n HIS 189 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3h1k n PHE 190 N -3.82 4.16 -4.88 4.41 0.99 0.50 -4.90 117.46 113.92 3h1k n PHE 190 Ca -0.47 -2.64 -0.27 0.00 -0.00 0.00 0.00 57.45 54.07 3h1k n PHE 190 Cb 0.92 -2.60 -0.16 0.00 -1.00 0.00 0.00 39.48 36.64 3h1k n PHE 190 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3h1k s LYS 191 N 4.41 2.10 0.00 -1.08 1.02 -1.26 -4.88 119.74 120.05 3h1k s LYS 191 Ca 0.55 -0.63 -0.00 0.00 0.02 0.00 0.00 55.97 55.91 3h1k s LYS 191 Cb 0.05 -1.72 -0.00 0.00 -0.52 0.00 0.00 37.83 35.64 3h1k s LYS 191 CO 0.06 0.17 0.03 0.00 -0.92 0.00 0.00 175.35 174.69 3h1k n ALA 192 N 3.42 -0.00 -0.27 5.17 0.00 -1.26 0.01 120.51 127.57 3h1k n ALA 192 Ca -0.20 0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.40 3h1k n ALA 192 Cb 0.52 0.01 0.42 0.00 0.00 0.00 0.00 19.45 20.41 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 0.57 -1.56 0.00 0.13 -1.72 0.23 132.00 129.65 3h1k h PRO 193 Ca 0.00 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.93 3h1k h PRO 193 Cb 0.00 -0.13 -0.08 0.00 0.13 0.00 0.00 31.00 30.93 3h1k h PRO 193 CO -0.01 0.38 0.21 0.54 -0.23 0.00 0.00 178.00 178.89 3h1k n ARG 194 N -4.58 1.40 -3.73 0.86 1.74 0.10 -4.69 116.66 107.76 3h1k n ARG 194 Ca 0.19 -0.82 -0.11 0.00 -0.77 0.00 0.00 57.85 56.34 3h1k n ARG 194 Cb 0.59 -1.32 -0.07 0.00 -1.02 0.00 0.00 32.46 30.64 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 -0.94 0.87 -0.04 5.56 -1.94 0.06 -2.08 119.30 120.78 3h1k s MET 195 Ca 0.16 -0.56 -0.02 0.00 -1.71 0.00 0.00 55.69 53.56 3h1k s MET 195 Cb 0.13 0.37 0.03 0.00 2.01 0.00 0.00 34.83 37.38 3h1k s MET 195 CO 0.01 -0.29 0.07 0.08 -0.01 0.00 0.00 175.02 174.88 3h1k s VAL 196 N -2.85 -0.12 -0.31 -6.03 1.01 -1.18 -3.13 120.40 107.79 3h1k s VAL 196 Ca -0.03 0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 3h1k s VAL 196 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 36.38 36.21 3h1k s VAL 196 CO -0.05 0.15 0.69 -0.22 0.00 0.00 0.00 175.10 175.67 3h1k s LEU 197 N 1.88 4.13 0.04 3.92 2.96 -0.07 -1.21 118.68 130.32 3h1k s LEU 197 Ca 0.01 0.51 0.09 0.00 -0.22 0.00 0.00 54.13 54.51 3h1k s LEU 197 Cb -0.12 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 3h1k s LEU 197 CO -0.04 -0.54 -0.24 0.00 -1.32 0.00 0.00 176.35 174.21 3h1k s ALA 198 N 2.75 2.33 -0.02 5.97 0.00 -0.14 -0.41 121.76 132.24 3h1k s ALA 198 Ca 0.28 -1.24 -0.21 0.00 0.00 0.00 0.00 51.96 50.79 3h1k s ALA 198 Cb -0.15 -0.55 0.04 0.00 0.00 0.00 0.00 23.12 22.47 3h1k s ALA 198 CO 0.12 0.54 0.45 0.00 0.00 0.00 0.00 175.76 176.88 3h1k s ALA 199 N -0.81 -1.16 -0.27 0.00 0.00 -0.07 -1.17 121.76 118.27 3h1k s ALA 199 Ca 0.12 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.60 3h1k s ALA 199 Cb -0.10 0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.17 3h1k s ALA 199 CO 0.02 -0.32 0.68 0.00 0.00 0.00 0.00 175.76 176.14 3h1k s ALA 200 N -1.38 -1.82 0.00 0.00 0.00 -0.90 -1.51 121.76 116.15 3h1k s ALA 200 Ca -0.12 2.31 0.00 0.00 0.00 0.00 0.00 51.96 54.15 3h1k s ALA 200 Cb -0.03 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.73 3h1k s ALA 200 CO 0.06 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3h1k n GLY 201 N 4.05 -0.14 2.81 0.00 0.00 -1.05 -2.58 105.19 108.27 3h1k n GLY 201 Ca -0.19 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 5.28 2.93 -0.02 0.00 -0.70 0.16 105.19 112.83 3h1k n GLY 202 Ca 0.00 -2.40 -0.15 0.00 0.00 0.00 0.00 46.02 43.47 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 -2.01 0.29 -0.16 -0.61 1.01 -1.26 -4.77 121.20 113.69 3h1k s ILE 203 Ca 0.39 -0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.70 3h1k s ILE 203 Cb 0.11 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.29 3h1k s ILE 203 CO 0.00 0.07 0.42 -0.55 0.00 0.00 0.00 174.94 174.88 3h1k s SER 204 N -0.11 6.55 0.26 3.58 0.15 -1.26 -4.28 113.70 118.59 3h1k s SER 204 Ca 0.01 0.65 -0.11 0.00 0.70 0.00 0.00 55.95 57.21 3h1k s SER 204 Cb -0.02 -2.25 0.39 0.00 -1.71 0.00 0.00 66.02 62.43 3h1k s SER 204 CO -0.00 -0.01 1.57 -0.74 1.20 0.00 0.00 173.24 175.26 3h1k h HIS 205 N 6.94 -0.60 0.00 3.44 2.76 -1.99 -2.42 115.15 123.28 3h1k h HIS 205 Ca -0.39 0.09 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 3h1k h HIS 205 Cb 1.17 0.41 0.00 0.00 1.55 0.00 0.00 27.41 30.54 3h1k h HIS 205 CO 0.64 -0.40 0.00 1.17 -1.30 0.00 0.00 177.93 178.03 3h1k n LYS 206 N -5.57 0.00 -0.17 5.26 4.81 -1.26 0.10 118.16 121.32 3h1k n LYS 206 Ca 0.14 0.24 -0.01 0.00 -0.87 0.00 0.00 58.31 57.81 3h1k n LYS 206 Cb 0.46 -0.87 0.01 0.00 0.02 0.00 0.00 35.03 34.64 3h1k n LYS 206 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3h1k n GLU 207 N -0.62 -0.11 0.00 1.64 1.02 -0.95 -0.31 120.64 121.30 3h1k n GLU 207 Ca 0.00 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 3h1k n GLU 207 Cb 0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 -4.64 0.00 -0.21 -4.62 7.94 -0.94 -2.43 117.00 112.11 3h1k n LEU 208 Ca 0.04 0.92 0.15 0.00 -1.11 0.00 0.00 56.01 56.01 3h1k n LEU 208 Cb 0.17 -0.42 0.29 0.00 0.53 0.00 0.00 43.42 43.99 3h1k n LEU 208 CO -0.06 -0.42 0.59 0.55 -1.11 0.00 0.00 177.39 176.94 3h1k n VAL 209 N -1.98 -0.26 0.40 1.96 3.14 0.11 -0.14 118.33 121.57 3h1k n VAL 209 Ca 0.00 1.31 -0.16 0.00 -2.96 0.00 0.00 64.34 62.54 3h1k n VAL 209 Cb 0.00 -2.04 -0.07 0.00 -1.06 0.00 0.00 33.84 30.67 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 -0.87 -1.03 6.55 3.32 -1.01 -1.58 116.42 121.80 3h1k h ASP 210 Ca 0.46 0.03 0.38 0.00 0.02 0.00 0.00 57.03 57.92 3h1k h ASP 210 Cb 1.13 0.22 -0.16 0.00 0.22 0.00 0.00 39.33 40.74 3h1k h ASP 210 CO -0.53 -0.60 0.58 0.00 -1.72 0.00 0.00 179.24 176.97 3h1k h ALA 211 N -1.49 2.13 0.09 3.45 0.00 -0.22 1.18 119.26 124.40 3h1k h ALA 211 Ca -0.10 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h1k h ALA 211 Cb 0.78 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3h1k h ALA 211 CO 0.17 -0.83 -0.04 0.00 0.00 0.00 0.00 179.25 178.55 3h1k h ALA 212 N 1.91 -0.12 -0.14 0.00 0.00 -1.18 -0.98 119.26 118.74 3h1k h ALA 212 Ca 0.80 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.66 3h1k h ALA 212 Cb 2.04 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 3h1k h ALA 212 CO -0.68 -0.49 0.25 0.00 0.00 0.00 0.00 179.25 178.33 3h1k h ARG 213 N -0.28 0.00 0.21 0.00 3.08 0.23 0.38 114.38 118.00 3h1k h ARG 213 Ca -0.01 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.69 3h1k h ARG 213 Cb 0.23 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.30 3h1k h ARG 213 CO 0.02 0.00 -1.65 0.37 -1.07 0.00 0.00 179.97 177.64 3h1k h GLN 214 N 0.00 0.44 0.00 0.04 4.15 0.34 -3.41 115.11 116.67 3h1k h GLN 214 Ca 0.07 -0.75 -0.09 0.00 0.77 0.00 0.00 58.65 58.65 3h1k h GLN 214 Cb 0.56 0.28 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 3h1k h GLN 214 CO -0.00 1.35 -1.86 0.72 -1.93 0.00 0.00 178.83 177.11 3h1k n HIS 215 N -3.63 0.00 -1.55 3.99 8.25 -0.56 -4.61 115.22 117.12 3h1k n HIS 215 Ca -0.22 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.88 3h1k n HIS 215 Cb 1.09 -0.50 -0.04 0.00 1.12 0.00 0.00 29.99 31.66 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 -2.24 2.21 0.00 4.41 0.99 0.13 -4.85 117.46 118.10 3h1k n PHE 216 Ca -0.10 -2.77 0.00 0.00 -0.00 0.00 0.00 57.45 54.58 3h1k n PHE 216 Cb 0.62 -2.09 0.00 0.00 -1.00 0.00 0.00 39.48 37.00 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 2.60 0.00 -2.84 4.37 3.41 -1.26 -4.87 113.62 115.03 3h1k n SER 217 Ca 0.68 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 59.24 3h1k n SER 217 Cb 0.32 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.28 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 4.65 -2.73 3.79 5.00 0.00 -1.26 -4.95 105.19 109.68 3h1k n GLY 218 Ca 0.00 0.77 -0.39 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.95 4.51 -0.02 1.61 1.01 -1.26 -5.00 120.40 119.30 3h1k s VAL 219 Ca 0.11 1.53 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 3h1k s VAL 219 Cb -0.03 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3h1k s VAL 219 CO 0.74 0.53 1.13 -0.94 0.00 0.00 0.00 175.10 176.56 3h1k s SER 220 N -1.09 7.15 0.00 3.32 1.04 -1.26 -5.01 113.70 117.85 3h1k s SER 220 Ca 0.33 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.57 3h1k s SER 220 Cb -0.22 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.34 3h1k s SER 220 CO 0.24 -0.47 0.00 0.49 0.98 0.00 0.00 173.24 174.48 3h1k n PHE 221 N 4.55 0.00 0.00 5.02 3.01 -1.26 -4.95 117.46 123.83 3h1k n PHE 221 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 3h1k n PHE 221 Cb 0.48 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 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 -1.08 0.00 0.00 4.37 -2.24 -1.26 -4.97 114.28 109.09 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 -0.20 4.78 0.18 -1.26 -4.74 117.16 115.92 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 0.10 0.00 -0.38 0.00 0.00 39.34 39.06 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 1.00 0.00 -3.48 1.57 -1.94 -1.24 116.57 112.48 3h1k h LYS 224 Ca 0.00 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3h1k h LYS 224 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3h1k h LYS 224 CO 0.00 0.91 0.00 0.39 -0.57 0.00 0.00 179.45 180.18 3h1k n GLU 225 N -4.23 0.06 -0.01 3.15 1.02 -1.26 -1.72 120.64 117.65 3h1k n GLU 225 Ca 0.04 0.23 0.09 0.00 -0.02 0.00 0.00 57.16 57.51 3h1k n GLU 225 Cb 0.27 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.05 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 -1.44 0.70 -4.68 1.62 10.43 -0.53 -4.83 116.55 117.82 3h1k n ASP 226 Ca 0.04 -0.23 -0.42 0.00 2.57 0.00 0.00 54.79 56.75 3h1k n ASP 226 Cb 0.15 1.66 -0.03 0.00 1.84 0.00 0.00 41.12 44.74 3h1k n ASP 226 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h1k s ALA 227 N -3.18 3.50 -0.50 2.24 0.00 -0.70 -5.01 121.76 118.11 3h1k s ALA 227 Ca -0.04 0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.93 3h1k s ALA 227 Cb 0.13 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.83 3h1k s ALA 227 CO 0.78 -0.74 1.07 0.54 0.00 0.00 0.00 175.76 177.42 3h1k s VAL 228 N 2.37 4.26 0.03 0.00 0.11 -1.26 -4.98 120.40 120.93 3h1k s VAL 228 Ca 0.46 0.96 -0.32 0.00 -2.93 0.00 0.00 61.98 60.16 3h1k s VAL 228 Cb -0.17 -4.57 -0.10 0.00 -1.53 0.00 0.00 36.38 30.00 3h1k s VAL 228 CO 0.14 -1.03 1.89 -0.81 -3.33 0.00 0.00 175.10 171.96 3h1k n PRO 229 N 7.73 2.62 -3.10 1.54 -0.04 -1.26 -4.96 135.00 137.53 3h1k n PRO 229 Ca 0.09 0.96 -0.39 0.00 -0.04 0.00 0.00 63.50 64.12 3h1k n PRO 229 Cb 0.49 -2.86 -0.05 0.00 -0.04 0.00 0.00 33.50 31.04 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 3.71 4.99 0.13 0.52 1.01 -1.26 -5.05 121.20 125.25 3h1k s ILE 230 Ca 0.88 1.38 -0.29 0.00 0.00 0.00 0.00 60.65 62.62 3h1k s ILE 230 Cb -0.53 -4.01 -0.07 0.00 0.01 0.00 0.00 42.46 37.87 3h1k s ILE 230 CO 0.43 0.31 0.90 -0.76 0.00 0.00 0.00 174.94 175.82 3h1k s LEU 231 N 0.48 4.53 -0.06 2.97 1.43 -1.26 -5.02 118.68 121.74 3h1k s LEU 231 Ca 0.35 1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 54.90 3h1k s LEU 231 Cb -0.18 -3.50 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 3h1k s LEU 231 CO 0.18 0.02 1.56 -2.16 0.23 0.00 0.00 176.35 176.18 3h1k s PRO 232 N -0.35 4.20 0.72 1.29 0.04 -1.26 -4.95 135.00 134.70 3h1k s PRO 232 Ca 0.43 2.08 -0.15 0.00 0.04 0.00 0.00 61.00 63.40 3h1k s PRO 232 Cb -0.23 -3.89 0.04 0.00 0.04 0.00 0.00 34.50 30.45 3h1k s PRO 232 CO 0.29 -0.79 1.23 -0.98 0.04 0.00 0.00 177.00 176.79 3h1k s ARG 233 N 3.72 2.14 -0.17 4.56 1.70 -1.26 -4.92 118.95 124.71 3h1k s ARG 233 Ca 0.69 1.84 -0.09 0.00 -0.47 0.00 0.00 55.73 57.71 3h1k s ARG 233 Cb -0.31 -1.82 -0.05 0.00 -0.57 0.00 0.00 34.95 32.20 3h1k s ARG 233 CO 0.27 -1.86 0.12 0.00 -1.08 0.00 0.00 175.30 172.75 3h1k s ARG 235 N -0.03 4.20 0.32 0.00 3.52 -1.26 -5.03 118.95 120.68 3h1k s ARG 235 Ca 0.09 1.48 -0.26 0.00 -0.13 0.00 0.00 55.73 56.92 3h1k s ARG 235 Cb -0.11 -3.73 -0.10 0.00 -1.56 0.00 0.00 34.95 29.45 3h1k s ARG 235 CO -0.00 -0.73 0.93 0.12 -0.81 0.00 0.00 175.30 174.81 3h1k s PHE 236 N 3.49 3.68 -0.09 5.12 5.36 -1.26 -4.40 117.98 129.88 3h1k s PHE 236 Ca 0.51 1.76 -0.02 0.00 -0.96 0.00 0.00 56.93 58.21 3h1k s PHE 236 Cb -0.18 -2.91 0.04 0.00 -0.34 0.00 0.00 43.02 39.63 3h1k s PHE 236 CO 0.12 0.21 0.05 0.99 -1.46 0.00 0.00 175.22 175.13 3h1k s THR 237 N -1.63 0.11 -0.26 0.12 2.01 -0.43 -5.01 115.64 110.55 3h1k s THR 237 Ca 0.50 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 62.33 3h1k s THR 237 Cb -0.18 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 3h1k s THR 237 CO 0.23 0.07 1.88 -0.83 -0.69 0.00 0.00 174.62 175.29 3h1k s GLY 238 N 2.07 0.84 0.00 4.40 0.00 -1.26 -4.55 107.32 108.81 3h1k s GLY 238 Ca 0.04 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.25 3h1k s GLY 238 CO -0.05 3.37 0.00 -1.14 0.00 0.00 0.00 173.10 175.28 3h1k n SER 239 N 10.15 0.00 -3.54 1.64 3.41 -0.58 -4.88 113.62 119.83 3h1k n SER 239 Ca 0.24 -0.44 -0.12 0.00 -0.26 0.00 0.00 58.87 58.28 3h1k n SER 239 Cb 0.46 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.33 1.13 -0.03 4.33 -1.05 -1.26 -0.04 118.70 121.45 3h1k s GLU 240 Ca 0.00 -0.42 -0.00 0.00 -0.15 0.00 0.00 54.97 54.39 3h1k s GLU 240 Cb 0.00 0.51 0.03 0.00 -0.44 0.00 0.00 34.13 34.23 3h1k s GLU 240 CO 0.00 -0.45 0.03 -1.50 0.95 0.00 0.00 175.26 174.29 3h1k s ILE 241 N -3.21 -0.02 -0.26 1.83 2.07 0.19 -4.92 121.20 116.88 3h1k s ILE 241 Ca -0.01 0.24 0.02 0.00 -1.41 0.00 0.00 60.65 59.50 3h1k s ILE 241 Cb -0.00 -0.14 0.06 0.00 0.13 0.00 0.00 42.46 42.51 3h1k s ILE 241 CO -0.08 0.12 -0.08 -0.13 -1.91 0.00 0.00 174.94 172.87 3h1k s ARG 242 N 1.34 1.98 -0.58 3.50 0.52 -1.26 -1.76 118.95 122.69 3h1k s ARG 242 Ca -0.06 -1.30 -0.17 0.00 -0.52 0.00 0.00 55.73 53.68 3h1k s ARG 242 Cb -0.13 -2.83 0.12 0.00 0.52 0.00 0.00 34.95 32.64 3h1k s ARG 242 CO -0.03 -0.62 0.60 0.00 0.02 0.00 0.00 175.30 175.27 3h1k s ALA 243 N 1.17 3.57 -0.08 2.13 0.00 0.39 -4.98 121.76 123.96 3h1k s ALA 243 Ca -0.06 -2.46 -0.15 0.00 0.00 0.00 0.00 51.96 49.30 3h1k s ALA 243 Cb -0.20 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3h1k s ALA 243 CO -0.06 -2.17 0.37 0.50 0.00 0.00 0.00 175.76 174.40 3h1k s ARG 244 N 1.97 4.06 -0.31 0.00 3.52 -1.26 -0.21 118.95 126.72 3h1k s ARG 244 Ca 0.07 0.29 0.04 0.00 -0.13 0.00 0.00 55.73 56.01 3h1k s ARG 244 Cb -0.27 -3.32 0.17 0.00 -1.56 0.00 0.00 34.95 29.98 3h1k s ARG 244 CO 0.04 0.46 0.49 0.34 -0.81 0.00 0.00 175.30 175.82 3h1k s ASP 245 N -0.29 -0.41 0.00 -2.12 -1.08 -0.75 -4.88 116.67 107.14 3h1k s ASP 245 Ca 0.22 -0.39 0.14 0.00 -0.52 0.00 0.00 52.55 52.00 3h1k s ASP 245 Cb -0.15 1.45 0.65 0.00 -1.46 0.00 0.00 42.92 43.40 3h1k s ASP 245 CO 0.09 -0.30 1.42 0.47 0.52 0.00 0.00 175.17 177.37 3h1k n ASP 246 N 5.14 0.00 -0.06 -0.34 8.00 -1.26 -1.87 116.55 126.16 3h1k n ASP 246 Ca 0.04 0.34 0.14 0.00 0.71 0.00 0.00 54.79 56.02 3h1k n ASP 246 Cb 0.51 -0.42 0.55 0.00 -0.02 0.00 0.00 41.12 41.75 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 -1.42 2.78 -2.40 2.24 0.00 -1.26 -4.77 120.51 115.69 3h1k n ALA 247 Ca 0.05 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 3h1k n ALA 247 Cb 0.14 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.73 4.41 0.13 0.00 2.01 -0.78 -4.95 118.68 116.78 3h1k s LEU 248 Ca 0.21 1.93 -0.24 0.00 0.01 0.00 0.00 54.13 56.04 3h1k s LEU 248 Cb 0.19 -3.58 -0.02 0.00 0.01 0.00 0.00 46.19 42.79 3h1k s LEU 248 CO 0.53 -0.34 1.63 1.55 1.01 0.00 0.00 176.35 180.74 3h1k h PRO 249 N 6.33 -0.32 0.00 1.29 0.13 -1.89 -3.40 132.00 134.13 3h1k h PRO 249 Ca -0.42 0.02 -0.48 0.00 -0.87 0.00 0.00 66.00 64.25 3h1k h PRO 249 Cb 1.21 0.07 -0.10 0.00 0.13 0.00 0.00 31.00 32.32 3h1k h PRO 249 CO 0.77 -0.22 -0.37 1.33 -0.23 0.00 0.00 178.00 179.29 3h1k n VAL 250 N -5.38 0.00 -4.33 1.56 0.24 -1.26 -4.70 118.33 104.46 3h1k n VAL 250 Ca -0.03 -1.84 -0.20 0.00 -2.04 0.00 0.00 64.34 60.23 3h1k n VAL 250 Cb 0.29 0.45 -0.13 0.00 -1.47 0.00 0.00 33.84 32.99 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 -2.73 1.23 0.02 2.33 0.00 0.25 -4.26 121.76 118.60 3h1k s ALA 251 Ca 0.05 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.17 3h1k s ALA 251 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3h1k s ALA 251 CO 0.03 0.23 -0.10 -1.01 0.00 0.00 0.00 175.76 174.91 3h1k s HIS 252 N -0.94 2.79 -0.04 0.00 3.76 -0.48 -1.17 115.29 119.22 3h1k s HIS 252 Ca 0.01 -0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 54.81 3h1k s HIS 252 Cb -0.08 -1.56 0.03 0.00 1.11 0.00 0.00 32.58 32.08 3h1k s HIS 252 CO 0.02 0.35 0.07 0.08 -0.85 0.00 0.00 174.74 174.40 3h1k s VAL 253 N -1.00 -0.10 -0.14 -0.90 1.01 -0.25 -1.71 120.40 117.32 3h1k s VAL 253 Ca 0.17 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.46 3h1k s VAL 253 Cb -0.11 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.14 3h1k s VAL 253 CO 0.08 0.12 -0.16 0.00 0.00 0.00 0.00 175.10 175.14 3h1k s ALA 254 N 1.59 1.93 -0.03 5.51 0.00 0.25 -1.71 121.76 129.28 3h1k s ALA 254 Ca -0.03 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.08 3h1k s ALA 254 Cb -0.12 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 3h1k s ALA 254 CO -0.04 -0.22 -0.24 -1.17 0.00 0.00 0.00 175.76 174.09 3h1k s LEU 255 N 1.19 2.05 0.24 0.00 2.96 -0.39 -0.88 118.68 123.86 3h1k s LEU 255 Ca -0.01 -0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 53.26 3h1k s LEU 255 Cb -0.14 -1.29 0.02 0.00 0.50 0.00 0.00 46.19 45.28 3h1k s LEU 255 CO -0.07 0.28 0.59 0.00 -1.32 0.00 0.00 176.35 175.83 3h1k s ALA 256 N -0.40 -0.88 0.18 5.97 0.00 -0.81 -1.04 121.76 124.79 3h1k s ALA 256 Ca 0.04 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.64 3h1k s ALA 256 Cb -0.11 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 23.88 3h1k s ALA 256 CO 0.01 -0.92 -0.12 0.14 0.00 0.00 0.00 175.76 174.88 3h1k s VAL 257 N -3.93 1.45 0.29 0.00 -7.23 0.18 -0.94 120.40 110.22 3h1k s VAL 257 Ca 0.13 -2.13 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 3h1k s VAL 257 Cb -0.03 -1.98 -0.10 0.00 0.56 0.00 0.00 36.38 34.82 3h1k s VAL 257 CO 0.04 -0.64 1.40 -0.70 -0.31 0.00 0.00 175.10 174.89 3h1k s GLU 258 N -3.70 4.28 0.67 4.82 2.12 -1.26 -1.37 118.70 124.25 3h1k s GLU 258 Ca 0.20 2.30 -0.03 0.00 0.36 0.00 0.00 54.97 57.81 3h1k s GLU 258 Cb 0.01 -3.08 0.08 0.00 0.26 0.00 0.00 34.13 31.40 3h1k s GLU 258 CO 0.04 -0.35 0.94 0.20 -0.54 0.00 0.00 175.26 175.55 3h1k s GLY 259 N 0.02 1.76 0.15 -1.50 0.00 0.58 -4.75 107.32 103.58 3h1k s GLY 259 Ca 0.55 -1.31 0.16 0.00 0.00 0.00 0.00 44.72 44.12 3h1k s GLY 259 CO 0.49 -0.88 1.07 -0.56 0.00 0.00 0.00 173.10 173.21 3h1k h PRO 260 N -0.40 0.00 0.00 2.90 0.13 -1.85 -3.33 132.00 129.44 3h1k h PRO 260 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3h1k h PRO 260 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3h1k h PRO 260 CO 0.50 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 3h1k n GLY 261 N 1.32 2.52 0.40 1.56 0.00 0.25 -4.49 105.19 106.75 3h1k n GLY 261 Ca -0.05 -1.74 -0.06 0.00 0.00 0.00 0.00 46.02 44.17 3h1k n GLY 261 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3h1k h TRP 262 N 0.00 -1.47 0.00 1.61 -0.00 -0.85 -3.13 115.95 112.11 3h1k h TRP 262 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 58.89 59.00 3h1k h TRP 262 Cb 0.00 0.77 0.00 0.00 -0.00 0.00 0.00 29.16 29.93 3h1k h TRP 262 CO 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 178.44 178.05 3h1k n ALA 263 N -3.35 -0.04 -0.76 1.49 0.00 -1.26 -4.72 120.51 111.86 3h1k n ALA 263 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 3h1k n ALA 263 Cb 0.34 0.36 -0.04 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.19 0.12 -0.14 0.00 -0.08 -1.19 -4.86 116.55 108.21 3h1k n ASP 264 Ca 0.00 0.57 -0.09 0.00 -1.51 0.00 0.00 54.79 53.76 3h1k n ASP 264 Cb 0.00 -0.45 0.05 0.00 2.34 0.00 0.00 41.12 43.07 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 1.68 0.91 -0.45 -0.67 0.11 -1.90 -3.04 132.00 128.65 3h1k h PRO 265 Ca -0.24 -0.35 0.13 0.00 0.11 0.00 0.00 66.00 65.65 3h1k h PRO 265 Cb 0.70 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 3h1k h PRO 265 CO 0.35 1.00 0.67 -0.44 -0.21 0.00 0.00 178.00 179.37 3h1k h ASP 266 N 0.81 0.00 -1.06 -2.05 3.32 -1.96 0.56 116.42 116.04 3h1k h ASP 266 Ca 0.12 0.00 0.29 0.00 0.02 0.00 0.00 57.03 57.46 3h1k h ASP 266 Cb 0.70 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.19 3h1k h ASP 266 CO 0.05 0.00 0.73 0.78 -1.72 0.00 0.00 179.24 179.08 3h1k h ASN 267 N 0.00 0.17 0.37 6.45 2.35 -1.88 0.40 115.58 123.44 3h1k h ASN 267 Ca 0.21 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 3h1k h ASN 267 Cb 1.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.92 3h1k h ASN 267 CO -0.00 0.04 -0.18 0.58 -1.65 0.00 0.00 177.43 176.22 3h1k h VAL 268 N 0.15 0.64 0.28 2.81 2.07 -0.12 -1.75 116.25 120.33 3h1k h VAL 268 Ca 0.54 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.75 3h1k h VAL 268 Cb 1.83 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 3h1k h VAL 268 CO -0.11 0.06 -0.50 0.58 0.02 0.00 0.00 177.57 177.62 3h1k h VAL 269 N -0.67 0.00 -1.00 2.57 2.07 -0.48 -0.20 116.25 118.54 3h1k h VAL 269 Ca -0.05 0.00 0.42 0.00 0.82 0.00 0.00 66.70 67.89 3h1k h VAL 269 Cb 0.48 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.07 3h1k h VAL 269 CO 0.08 0.00 0.53 -0.07 0.02 0.00 0.00 177.57 178.14 3h1k h LEU 270 N -0.83 0.31 -0.11 2.57 3.38 -0.82 0.96 115.31 120.76 3h1k h LEU 270 Ca -0.03 0.26 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3h1k h LEU 270 Cb 0.78 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3h1k h LEU 270 CO -0.18 -0.44 -0.07 0.45 0.09 0.00 0.00 178.44 178.29 3h1k h HIS 271 N 0.00 0.29 -1.00 1.13 3.86 -0.17 -0.98 115.15 118.28 3h1k h HIS 271 Ca 0.85 -0.08 0.18 0.00 -1.16 0.00 0.00 60.37 60.16 3h1k h HIS 271 Cb 2.23 -0.06 -0.10 0.00 1.06 0.00 0.00 27.41 30.54 3h1k h HIS 271 CO -0.02 0.61 0.62 0.28 0.86 0.00 0.00 177.93 180.28 3h1k h VAL 272 N -0.12 0.73 0.54 2.45 2.07 0.24 0.11 116.25 122.26 3h1k h VAL 272 Ca 0.02 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3h1k h VAL 272 Cb 0.55 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3h1k h VAL 272 CO 0.02 0.14 -0.26 0.00 0.02 0.00 0.00 177.57 177.49 3h1k h ALA 273 N 1.63 -1.16 -1.25 1.67 0.00 -0.43 -2.23 119.26 117.50 3h1k h ALA 273 Ca 0.56 -0.16 0.36 0.00 0.00 0.00 0.00 54.91 55.68 3h1k h ALA 273 Cb 0.88 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 3h1k h ALA 273 CO -0.35 -1.11 1.07 -0.91 0.00 0.00 0.00 179.25 177.95 3h1k h ASN 274 N -0.74 0.00 0.40 0.00 -0.26 0.22 1.37 115.58 116.57 3h1k h ASN 274 Ca -0.07 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.58 3h1k h ASN 274 Cb 0.55 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.80 3h1k h ASN 274 CO 0.12 0.00 -0.39 0.00 -1.06 0.00 0.00 177.43 176.10 3h1k h ALA 275 N 1.04 1.34 0.00 -0.83 0.00 -0.21 0.30 119.26 120.91 3h1k h ALA 275 Ca 0.59 -0.36 -0.26 0.00 0.00 0.00 0.00 54.91 54.88 3h1k h ALA 275 Cb 2.72 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 20.47 3h1k h ALA 275 CO -0.01 0.49 -1.04 0.82 0.00 0.00 0.00 179.25 179.52 3h1k h ILE 276 N 0.00 1.29 0.00 0.00 2.04 0.20 -3.21 117.51 117.84 3h1k h ILE 276 Ca -0.00 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.58 3h1k h ILE 276 Cb 0.70 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 3h1k h ILE 276 CO 0.05 0.70 -0.55 0.40 0.00 0.00 0.00 178.15 178.75 3h1k h ILE 277 N 0.38 0.00 0.00 -0.67 2.04 -1.42 -3.41 117.51 114.43 3h1k h ILE 277 Ca -0.13 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3h1k h ILE 277 Cb 1.69 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 3h1k h ILE 277 CO 0.20 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.96 3h1k n GLY 278 N 1.27 1.36 3.43 5.37 0.00 0.11 -4.71 105.19 112.02 3h1k n GLY 278 Ca 0.03 -0.26 -0.09 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 1.28 -0.12 1.61 1.70 -1.26 -2.89 118.95 119.27 3h1k s ARG 279 Ca 0.00 -1.04 -0.30 0.00 -0.47 0.00 0.00 55.73 53.92 3h1k s ARG 279 Cb 0.00 0.45 0.09 0.00 -0.57 0.00 0.00 34.95 34.92 3h1k s ARG 279 CO 0.00 -0.51 0.80 -0.47 -1.08 0.00 0.00 175.30 174.04 3h1k s TYR 280 N -3.93 -0.58 0.05 5.89 5.04 -0.78 -4.96 117.35 118.08 3h1k s TYR 280 Ca 0.14 1.06 -0.04 0.00 -2.44 0.00 0.00 57.07 55.79 3h1k s TYR 280 Cb 0.01 0.41 -0.02 0.00 0.35 0.00 0.00 41.96 42.71 3h1k s TYR 280 CO -0.01 -0.49 0.06 0.16 -1.34 0.00 0.00 175.55 173.93 3h1k s ASP 281 N -0.93 0.30 0.00 4.32 1.47 -1.26 -0.91 116.67 119.65 3h1k s ASP 281 Ca -0.06 -0.75 0.00 0.00 1.18 0.00 0.00 52.55 52.92 3h1k s ASP 281 Cb -0.01 0.23 0.00 0.00 -0.34 0.00 0.00 42.92 42.80 3h1k s ASP 281 CO 0.06 -0.58 0.77 0.54 0.68 0.00 0.00 175.17 176.64 3h1k n ARG 282 N 0.38 0.00 0.00 2.11 1.74 -0.20 -2.05 116.66 118.63 3h1k n ARG 282 Ca -0.16 0.29 0.11 0.00 -0.77 0.00 0.00 57.85 57.32 3h1k n ARG 282 Cb 0.60 -1.56 0.05 0.00 -1.02 0.00 0.00 32.46 30.53 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 -1.27 0.00 -1.78 0.55 -2.24 -1.26 -4.93 114.28 103.35 3h1k n THR 283 Ca 0.00 -0.38 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 3h1k n THR 283 Cb 0.06 1.38 0.02 0.00 -2.10 0.00 0.00 70.33 69.69 3h1k n THR 283 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3h1k s PHE 284 N -2.22 2.42 -0.04 4.78 0.40 -0.87 -4.90 117.98 117.55 3h1k s PHE 284 Ca 0.23 1.26 0.13 0.00 -0.60 0.00 0.00 56.93 57.95 3h1k s PHE 284 Cb 0.19 -3.93 -0.20 0.00 0.51 0.00 0.00 43.02 39.60 3h1k s PHE 284 CO 0.43 -2.99 0.82 0.78 0.70 0.00 0.00 175.22 174.96 3h1k h GLY 285 N 2.22 0.00 0.65 4.36 0.00 -1.92 -3.34 103.07 105.05 3h1k h GLY 285 Ca -0.51 0.00 0.13 0.00 0.00 0.00 0.00 47.33 46.95 3h1k h GLY 285 CO 0.61 0.00 0.55 -1.33 0.00 0.00 0.00 176.54 176.36 3h1k h GLY 286 N 3.47 1.10 0.00 4.60 0.00 -1.98 -3.46 103.07 106.81 3h1k h GLY 286 Ca -0.21 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3h1k h GLY 286 CO 0.08 0.12 0.00 0.61 0.00 0.00 0.00 176.54 177.35 3h1k n GLY 287 N -1.45 2.64 0.00 4.60 0.00 -1.26 -1.71 105.19 108.02 3h1k n GLY 287 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.00 1.61 2.85 -1.26 -0.93 118.16 134.43 3h1k n LYS 288 Ca 0.00 0.27 0.09 0.00 -1.05 0.00 0.00 58.31 57.62 3h1k n LYS 288 Cb 0.00 -1.71 -0.08 0.00 -0.65 0.00 0.00 35.03 32.60 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 -1.26 0.00 -0.91 5.58 8.25 -0.70 -4.88 115.22 121.31 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 0.21 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.39 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 -1.08 -3.50 -0.03 2.41 4.77 -0.11 -4.93 117.00 114.54 3h1k n LEU 290 Ca 0.05 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 3h1k n LEU 290 Cb 0.31 -0.86 -0.14 0.00 -2.33 0.00 0.00 43.42 40.40 3h1k n LEU 290 CO 0.34 -4.45 -0.61 -1.20 -1.33 0.00 0.00 177.39 170.14 3h1k n SER 291 N 1.56 0.73 -4.61 -1.43 7.64 -1.26 -4.71 113.62 111.55 3h1k n SER 291 Ca 0.01 0.35 -0.43 0.00 1.01 0.00 0.00 58.87 59.80 3h1k n SER 291 Cb 0.59 0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.90 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 -5.96 6.14 0.23 6.43 0.15 -1.26 -4.86 113.70 114.56 3h1k s SER 292 Ca -0.05 1.39 -0.09 0.00 0.70 0.00 0.00 55.95 57.90 3h1k s SER 292 Cb 0.08 -2.53 0.36 0.00 -1.71 0.00 0.00 66.02 62.22 3h1k s SER 292 CO 0.83 -1.49 1.64 0.03 1.20 0.00 0.00 173.24 175.44 3h1k h ARG 293 N 11.76 0.08 -0.63 5.44 3.08 -1.88 0.68 114.38 132.90 3h1k h ARG 293 Ca -0.33 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.76 3h1k h ARG 293 Cb 1.16 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.15 3h1k h ARG 293 CO 1.02 0.05 0.42 1.25 -1.07 0.00 0.00 179.97 181.64 3h1k h LEU 294 N 0.08 0.59 0.00 3.04 5.85 -1.89 -1.85 115.31 121.13 3h1k h LEU 294 Ca 0.37 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 3h1k h LEU 294 Cb 0.63 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3h1k h LEU 294 CO -0.65 0.40 0.00 0.00 -0.34 0.00 0.00 178.44 177.85 3h1k n ALA 295 N -2.46 -0.33 -0.23 1.25 0.00 0.22 -1.52 120.51 117.45 3h1k n ALA 295 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 3h1k n ALA 295 Cb 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.60 -0.35 -0.20 0.00 0.00 -0.44 0.18 120.51 118.10 3h1k n ALA 296 Ca 0.00 0.46 0.01 0.00 0.00 0.00 0.00 53.44 53.91 3h1k n ALA 296 Cb 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 19.45 19.52 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 0.07 -1.35 0.00 3.38 -1.39 0.78 115.31 116.80 3h1k h LEU 297 Ca 0.09 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3h1k h LEU 297 Cb 0.22 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3h1k h LEU 297 CO -0.51 0.04 0.32 0.00 0.09 0.00 0.00 178.44 178.39 3h1k h ALA 298 N 1.47 1.27 0.00 1.53 0.00 0.29 -0.40 119.26 123.42 3h1k h ALA 298 Ca 0.32 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.80 3h1k h ALA 298 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3h1k h ALA 298 CO -0.38 -0.27 -2.43 0.28 0.00 0.00 0.00 179.25 176.46 3h1k n VAL 299 N -2.43 1.40 -0.34 0.00 0.31 0.25 -1.20 118.33 116.32 3h1k n VAL 299 Ca -0.01 -0.37 0.23 0.00 -0.01 0.00 0.00 64.34 64.17 3h1k n VAL 299 Cb 0.35 -1.80 0.49 0.00 -0.91 0.00 0.00 33.84 31.97 3h1k n VAL 299 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3h1k h GLU 300 N -0.84 0.39 -0.02 5.55 4.81 0.29 -2.32 114.58 122.45 3h1k h GLU 300 Ca -0.64 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.56 3h1k h GLU 300 Cb 1.59 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.88 3h1k h GLU 300 CO -0.37 0.26 0.00 0.72 -0.73 0.00 0.00 179.01 178.89 3h1k n HIS 301 N -4.74 0.02 -2.70 0.92 8.25 -0.27 -5.00 115.22 111.71 3h1k n HIS 301 Ca 0.28 -0.09 -0.18 0.00 -0.26 0.00 0.00 57.72 57.47 3h1k n HIS 301 Cb 0.91 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 32.03 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 0.11 -3.18 -0.30 -0.41 4.76 -0.87 -4.91 118.16 113.36 3h1k n LYS 302 Ca 0.02 0.79 0.13 0.00 -2.87 0.00 0.00 58.31 56.39 3h1k n LYS 302 Cb 0.12 -5.31 0.30 0.00 -1.84 0.00 0.00 35.03 28.30 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 -0.77 0.18 0.00 -0.35 3.38 -1.35 -3.46 115.31 112.94 3h1k h LEU 303 Ca -0.43 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3h1k h LEU 303 Cb 1.31 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.25 3h1k h LEU 303 CO 0.48 -0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.93 3h1k n HIS 305 N 0.00 0.00 -3.48 0.00 8.25 -0.51 -4.90 115.22 114.58 3h1k n HIS 305 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3h1k n HIS 305 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 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 -3.84 -0.46 0.02 0.41 1.04 -1.22 -1.04 113.70 108.62 3h1k s SER 306 Ca 0.00 -0.04 -0.28 0.00 0.48 0.00 0.00 55.95 56.11 3h1k s SER 306 Cb 0.00 0.51 0.08 0.00 0.10 0.00 0.00 66.02 66.71 3h1k s SER 306 CO 0.00 -0.83 0.73 0.72 0.98 0.00 0.00 173.24 174.83 3h1k s PHE 307 N -3.47 -0.53 -0.09 5.02 -0.12 -0.09 -0.93 117.98 117.77 3h1k s PHE 307 Ca 0.03 0.65 -0.19 0.00 -0.05 0.00 0.00 56.93 57.37 3h1k s PHE 307 Cb -0.01 0.49 0.04 0.00 -0.63 0.00 0.00 43.02 42.91 3h1k s PHE 307 CO -0.10 -0.65 0.46 1.14 -0.05 0.00 0.00 175.22 176.03 3h1k s GLN 308 N -2.36 0.72 -0.11 1.99 -2.07 0.82 -1.86 119.66 116.78 3h1k s GLN 308 Ca -0.03 0.25 -0.07 0.00 -1.82 0.00 0.00 55.36 53.69 3h1k s GLN 308 Cb -0.01 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.21 3h1k s GLN 308 CO -0.02 -0.17 0.15 0.95 -1.32 0.00 0.00 175.29 174.88 3h1k s THR 309 N -0.67 5.49 0.02 3.63 -4.23 -1.14 -1.26 115.64 117.48 3h1k s THR 309 Ca -0.08 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 3h1k s THR 309 Cb -0.03 -3.42 -0.02 0.00 1.34 0.00 0.00 72.50 70.37 3h1k s THR 309 CO 0.04 0.60 -0.04 0.72 -0.54 0.00 0.00 174.62 175.41 3h1k s PHE 310 N -1.05 0.31 -0.48 3.99 -0.71 -1.06 -4.98 117.98 114.00 3h1k s PHE 310 Ca 0.16 -0.45 0.07 0.00 -1.04 0.00 0.00 56.93 55.67 3h1k s PHE 310 Cb -0.12 -0.21 0.24 0.00 -1.21 0.00 0.00 43.02 41.72 3h1k s PHE 310 CO 0.05 -0.14 0.57 -1.71 -1.34 0.00 0.00 175.22 172.65 3h1k n ASN 311 N 1.79 1.27 -4.74 1.98 5.15 -1.26 -2.29 115.26 117.17 3h1k n ASN 311 Ca -0.22 -2.90 -0.42 0.00 -0.60 0.00 0.00 54.58 50.44 3h1k n ASN 311 Cb 0.56 -0.65 -0.02 0.00 -0.53 0.00 0.00 39.78 39.14 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 -1.45 2.68 -0.09 -0.44 2.01 -0.77 -4.90 115.64 112.68 3h1k s THR 312 Ca 0.36 0.55 0.03 0.00 0.31 0.00 0.00 61.69 62.94 3h1k s THR 312 Cb 0.14 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.31 3h1k s THR 312 CO -0.09 0.08 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.29 3h1k s SER 313 N 0.53 2.58 0.40 3.53 0.01 -1.26 -1.16 113.70 118.34 3h1k s SER 313 Ca 0.61 -0.46 0.08 0.00 1.31 0.00 0.00 55.95 57.49 3h1k s SER 313 Cb -0.42 -1.18 -0.05 0.00 0.21 0.00 0.00 66.02 64.58 3h1k s SER 313 CO 0.41 0.10 0.16 -0.31 0.41 0.00 0.00 173.24 174.00 3h1k s TYR 314 N 0.56 2.61 0.07 2.43 4.12 -0.81 -4.73 117.35 121.59 3h1k s TYR 314 Ca -0.15 -0.56 -0.15 0.00 0.02 0.00 0.00 57.07 56.23 3h1k s TYR 314 Cb -0.17 -1.89 -0.04 0.00 -1.52 0.00 0.00 41.96 38.34 3h1k s TYR 314 CO 0.05 0.22 1.26 0.66 0.02 0.00 0.00 175.55 177.76 3h1k h SER 315 N 1.47 -1.01 -0.02 2.29 4.64 -1.97 0.73 113.55 119.68 3h1k h SER 315 Ca -0.43 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3h1k h SER 315 Cb 1.25 0.44 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 3h1k h SER 315 CO 0.69 -0.12 -0.27 -0.90 -0.87 0.00 0.00 176.83 175.36 3h1k n ASP 316 N -4.06 2.02 0.00 4.97 5.75 -1.26 -3.34 116.55 120.63 3h1k n ASP 316 Ca 0.01 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 3h1k n ASP 316 Cb 0.13 0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.27 0.00 0.00 2.12 5.66 -1.19 -4.60 114.28 116.54 3h1k n THR 317 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 3h1k n THR 317 Cb 0.41 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 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 3.03 2.99 1.09 0.00 -1.25 -0.59 105.19 110.46 3h1k n GLY 318 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 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 1.55 -0.14 0.99 1.43 -0.31 0.21 118.68 122.42 3h1k s LEU 319 Ca 0.00 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 3h1k s LEU 319 Cb 0.00 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 3h1k s LEU 319 CO 0.00 -0.07 -0.11 0.12 0.23 0.00 0.00 176.35 176.52 3h1k s PHE 320 N 1.51 2.85 0.00 0.29 5.36 -0.47 -1.85 117.98 125.67 3h1k s PHE 320 Ca 0.04 -0.65 0.00 0.00 -0.96 0.00 0.00 56.93 55.37 3h1k s PHE 320 Cb -0.13 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 3h1k s PHE 320 CO -0.10 -0.23 0.00 0.41 -1.46 0.00 0.00 175.22 173.84 3h1k n GLY 321 N 3.66 -0.90 3.54 13.12 0.00 -0.97 0.49 105.19 124.14 3h1k n GLY 321 Ca -0.18 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.39 -0.38 -0.09 1.61 -0.12 -0.20 -2.55 117.98 112.86 3h1k s PHE 322 Ca 0.00 0.15 -0.05 0.00 -0.05 0.00 0.00 56.93 56.98 3h1k s PHE 322 Cb 0.00 0.58 0.04 0.00 -0.63 0.00 0.00 43.02 43.01 3h1k s PHE 322 CO 0.00 -0.79 0.22 -1.58 -0.05 0.00 0.00 175.22 173.01 3h1k s HIS 323 N -3.50 -0.28 0.10 3.49 2.46 -0.39 -1.26 115.29 115.93 3h1k s HIS 323 Ca 0.05 0.68 0.04 0.00 0.47 0.00 0.00 55.06 56.30 3h1k s HIS 323 Cb -0.02 0.02 -0.04 0.00 -0.13 0.00 0.00 32.58 32.41 3h1k s HIS 323 CO -0.07 -0.20 -0.10 -0.59 -2.47 0.00 0.00 174.74 171.30 3h1k s PHE 324 N 1.11 1.12 0.07 3.88 -0.12 -0.70 -0.13 117.98 123.22 3h1k s PHE 324 Ca -0.08 -0.66 0.09 0.00 -0.05 0.00 0.00 56.93 56.23 3h1k s PHE 324 Cb -0.10 -0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 41.66 3h1k s PHE 324 CO -0.07 0.02 -0.23 0.08 -0.05 0.00 0.00 175.22 174.98 3h1k s VAL 325 N -2.52 2.47 0.05 -2.49 1.01 -0.11 -1.09 120.40 117.72 3h1k s VAL 325 Ca 0.07 -1.43 -0.28 0.00 0.00 0.00 0.00 61.98 60.34 3h1k s VAL 325 Cb -0.02 -2.05 0.10 0.00 0.00 0.00 0.00 36.38 34.41 3h1k s VAL 325 CO 0.00 0.25 1.16 0.00 0.00 0.00 0.00 175.10 176.51 3h1k s ALA 326 N -0.95 -2.00 0.49 5.51 0.00 -0.32 -1.42 121.76 123.07 3h1k s ALA 326 Ca 0.14 0.48 -0.21 0.00 0.00 0.00 0.00 51.96 52.37 3h1k s ALA 326 Cb -0.10 0.47 -0.07 0.00 0.00 0.00 0.00 23.12 23.41 3h1k s ALA 326 CO 0.05 -1.04 1.09 -0.51 0.00 0.00 0.00 175.76 175.35 3h1k s ASP 327 N -2.96 6.16 0.65 0.00 1.01 -1.26 -0.58 116.67 119.69 3h1k s ASP 327 Ca 0.13 2.10 0.21 0.00 0.71 0.00 0.00 52.55 55.70 3h1k s ASP 327 Cb 0.02 -2.58 1.08 0.00 1.01 0.00 0.00 42.92 42.46 3h1k s ASP 327 CO -0.01 -0.91 1.60 1.55 0.21 0.00 0.00 175.17 177.61 3h1k h PRO 328 N 1.66 0.00 -0.02 8.23 0.13 -1.84 -1.95 132.00 138.21 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 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3h1k h PRO 328 CO 0.59 0.00 -0.24 1.28 -0.23 0.00 0.00 178.00 179.40 3h1k n LEU 329 N -2.90 2.03 -0.19 1.56 4.32 -1.26 -4.36 117.00 116.20 3h1k n LEU 329 Ca 0.02 -0.85 0.04 0.00 -0.02 0.00 0.00 56.01 55.19 3h1k n LEU 329 Cb 0.67 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.48 3h1k n LEU 329 CO 0.12 0.37 0.23 -1.54 -1.22 0.00 0.00 177.39 175.35 3h1k n SER 330 N 0.32 1.15 -0.20 -1.43 3.41 -0.74 -4.69 113.62 111.43 3h1k n SER 330 Ca 0.09 -1.07 -0.13 0.00 -0.26 0.00 0.00 58.87 57.50 3h1k n SER 330 Cb 0.41 0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.94 0.00 0.00 -1.33 2.04 -1.74 -1.15 117.51 116.27 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 0.26 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 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 -0.35 1.72 2.03 -1.26 -0.76 116.55 112.70 3h1k n ASP 332 Ca -0.02 0.94 -0.03 0.00 0.52 0.00 0.00 54.79 56.20 3h1k n ASP 332 Cb 0.31 -0.44 0.01 0.00 -0.72 0.00 0.00 41.12 40.27 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 -2.31 -0.67 -0.01 1.67 8.00 -1.11 -0.33 116.55 121.79 3h1k n ASP 333 Ca 0.00 1.58 -0.07 0.00 0.71 0.00 0.00 54.79 57.02 3h1k n ASP 333 Cb 0.00 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.25 -0.57 -1.24 4.05 -0.77 0.00 114.93 116.15 3h1k h MET 334 Ca 0.28 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.77 3h1k h MET 334 Cb 0.50 0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 31.26 3h1k h MET 334 CO -0.89 -0.16 -0.56 1.98 0.23 0.00 0.00 176.91 177.51 3h1k h MET 335 N -0.26 -0.28 -0.73 0.39 1.85 0.11 0.15 114.93 116.16 3h1k h MET 335 Ca 0.02 0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.19 3h1k h MET 335 Cb 0.30 0.06 -0.09 0.00 0.43 0.00 0.00 31.60 32.31 3h1k h MET 335 CO -0.20 -0.19 -0.43 0.34 -0.40 0.00 0.00 176.91 176.03 3h1k n PHE 336 N -5.34 -0.32 -0.25 1.39 7.35 0.55 -0.06 117.46 120.78 3h1k n PHE 336 Ca -0.02 0.92 0.02 0.00 -0.76 0.00 0.00 57.45 57.61 3h1k n PHE 336 Cb 0.32 -0.55 0.15 0.00 0.35 0.00 0.00 39.48 39.75 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 1.45 -1.21 -1.09 0.00 0.00 0.22 0.66 119.26 119.30 3h1k h ALA 338 Ca 0.37 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 55.40 3h1k h ALA 338 Cb 0.42 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 3h1k h ALA 338 CO -0.29 -1.15 0.75 1.96 0.00 0.00 0.00 179.25 180.52 3h1k h GLN 339 N -0.84 0.16 0.66 0.00 4.20 -0.51 0.89 115.11 119.67 3h1k h GLN 339 Ca -0.08 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3h1k h GLN 339 Cb 0.65 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.40 3h1k h GLN 339 CO 0.12 0.11 -0.32 0.78 -0.67 0.00 0.00 178.83 178.85 3h1k h GLY 340 N 0.17 -0.92 -0.35 3.46 0.00 -0.01 -1.68 103.07 103.74 3h1k h GLY 340 Ca 0.56 0.34 0.14 0.00 0.00 0.00 0.00 47.33 48.37 3h1k h GLY 340 CO -0.13 -0.34 -0.15 0.83 0.00 0.00 0.00 176.54 176.75 3h1k h GLU 341 N -0.90 0.01 -0.64 4.80 4.39 0.14 0.41 114.58 122.80 3h1k h GLU 341 Ca -0.09 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.71 3h1k h GLU 341 Cb 0.68 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.21 3h1k h GLU 341 CO 0.15 0.01 -0.42 -1.49 -1.16 0.00 0.00 179.01 176.10 3h1k h TRP 342 N 0.01 -1.22 0.13 4.33 4.06 -1.01 -0.98 115.95 121.27 3h1k h TRP 342 Ca 0.33 0.08 0.01 0.00 2.06 0.00 0.00 58.89 61.38 3h1k h TRP 342 Cb 0.52 0.63 -0.04 0.00 -1.00 0.00 0.00 29.16 29.26 3h1k h TRP 342 CO -0.53 -0.41 -0.46 0.52 -3.56 0.00 0.00 178.44 174.00 3h1k h MET 343 N -0.18 -0.64 -1.16 0.49 2.86 0.75 -0.56 114.93 116.49 3h1k h MET 343 Ca 0.21 0.04 0.41 0.00 -2.06 0.00 0.00 59.70 58.30 3h1k h MET 343 Cb 0.56 0.15 -0.13 0.00 0.06 0.00 0.00 31.60 32.23 3h1k h MET 343 CO -0.73 -0.43 0.72 0.54 1.06 0.00 0.00 176.91 178.08 3h1k n ARG 344 N -5.05 -0.04 0.00 1.72 1.74 -0.47 0.12 116.66 114.68 3h1k n ARG 344 Ca -0.08 1.13 -0.10 0.00 -0.77 0.00 0.00 57.85 58.04 3h1k n ARG 344 Cb 0.36 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.46 29.59 3h1k n ARG 344 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3h1k h LEU 345 N 0.00 -0.70 -0.67 0.55 3.38 -0.04 0.21 115.31 118.04 3h1k h LEU 345 Ca 0.77 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.86 3h1k h LEU 345 Cb 2.41 0.31 0.00 0.00 0.09 0.00 0.00 40.66 43.47 3h1k h LEU 345 CO -0.46 -0.28 0.00 0.00 0.09 0.00 0.00 178.44 177.79 3h1k n THR 347 N -2.50 0.97 -2.37 0.00 -2.24 -0.63 -4.79 114.28 102.72 3h1k n THR 347 Ca 0.03 -0.05 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 3h1k n THR 347 Cb 0.31 -1.78 0.04 0.00 -2.10 0.00 0.00 70.33 66.80 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 -3.75 3.08 -4.74 3.42 3.41 0.65 -5.07 113.62 110.63 3h1k n SER 348 Ca -0.22 -2.92 -0.42 0.00 -0.26 0.00 0.00 58.87 55.05 3h1k n SER 348 Cb 0.56 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 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 -3.93 2.76 0.42 6.66 2.01 -1.15 -4.98 115.64 117.43 3h1k s THR 349 Ca 0.39 0.61 0.07 0.00 0.31 0.00 0.00 61.69 63.08 3h1k s THR 349 Cb 0.37 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.49 3h1k s THR 349 CO -0.01 0.09 0.57 0.42 -0.69 0.00 0.00 174.62 174.99 3h1k s THR 350 N 0.27 3.16 -0.02 -0.82 -4.23 -1.26 -4.76 115.64 107.99 3h1k s THR 350 Ca 0.61 -0.97 0.30 0.00 -1.18 0.00 0.00 61.69 60.45 3h1k s THR 350 Cb -0.41 -3.07 0.36 0.00 1.34 0.00 0.00 72.50 70.71 3h1k s THR 350 CO 0.40 -0.03 1.87 -0.33 -0.54 0.00 0.00 174.62 175.99 3h1k h GLU 351 N 0.64 0.00 -0.10 3.99 4.39 -1.97 -2.74 114.58 118.79 3h1k h GLU 351 Ca -0.41 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.12 3h1k h GLU 351 Cb 1.28 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.94 3h1k h GLU 351 CO 0.47 0.04 -0.58 0.77 -1.16 0.00 0.00 179.01 178.54 3h1k h SER 352 N 0.00 0.69 -0.55 1.42 0.02 -1.99 -1.49 113.55 111.65 3h1k h SER 352 Ca -0.00 -0.65 -0.01 0.00 -0.84 0.00 0.00 61.79 60.29 3h1k h SER 352 Cb 0.66 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3h1k h SER 352 CO 0.00 1.23 0.31 -0.33 -1.14 0.00 0.00 176.83 176.90 3h1k h GLU 353 N 0.19 0.76 0.06 3.45 5.08 -1.91 -2.27 114.58 119.95 3h1k h GLU 353 Ca -0.04 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3h1k h GLU 353 Cb 1.23 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3h1k h GLU 353 CO 0.12 0.58 -0.03 -0.39 -1.00 0.00 0.00 179.01 178.29 3h1k h VAL 354 N 0.74 1.22 -0.73 3.13 -1.51 -1.50 0.21 116.25 117.80 3h1k h VAL 354 Ca 0.19 -1.03 0.16 0.00 -1.23 0.00 0.00 66.70 64.79 3h1k h VAL 354 Cb 0.03 1.88 -0.12 0.00 -2.13 0.00 0.00 31.29 30.95 3h1k h VAL 354 CO -0.03 0.25 0.06 0.50 -1.23 0.00 0.00 177.57 177.12 3h1k h LYS 355 N -0.56 0.15 -0.12 5.19 3.64 -1.25 0.56 116.57 124.18 3h1k h LYS 355 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3h1k h LYS 355 Cb 0.48 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3h1k h LYS 355 CO 0.01 0.10 0.03 -0.09 -2.27 0.00 0.00 179.45 177.23 3h1k h ARG 356 N 0.15 0.20 -0.92 1.90 2.43 -1.37 -2.07 114.38 114.70 3h1k h ARG 356 Ca 0.40 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.59 3h1k h ARG 356 Cb 0.71 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 3h1k h ARG 356 CO -0.60 0.35 0.60 0.00 -1.51 0.00 0.00 179.97 178.81 3h1k h ALA 357 N 0.83 1.49 0.42 2.80 0.00 0.14 -0.62 119.26 124.31 3h1k h ALA 357 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3h1k h ALA 357 Cb 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3h1k h ALA 357 CO 0.00 0.38 -0.20 0.87 0.00 0.00 0.00 179.25 180.30 3h1k h LYS 358 N 1.06 -0.54 -0.20 0.00 1.57 0.15 0.14 116.57 118.75 3h1k h LYS 358 Ca 0.39 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.27 3h1k h LYS 358 Cb 0.18 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3h1k h LYS 358 CO -0.14 -0.25 0.18 -0.91 -0.57 0.00 0.00 179.45 177.75 3h1k h ASN 359 N -0.78 0.00 0.07 0.86 2.35 -1.01 0.20 115.58 117.27 3h1k h ASN 359 Ca -0.06 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3h1k h ASN 359 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3h1k h ASN 359 CO 0.09 0.00 -0.03 -0.74 -1.65 0.00 0.00 177.43 175.10 3h1k h HIS 360 N 0.00 -0.09 -0.67 1.19 2.76 -0.83 -3.11 115.15 114.40 3h1k h HIS 360 Ca 0.10 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.38 3h1k h HIS 360 Cb 0.46 0.03 -0.08 0.00 1.55 0.00 0.00 27.41 29.36 3h1k h HIS 360 CO 0.00 0.48 0.25 1.25 -1.30 0.00 0.00 177.93 178.61 3h1k h LEU 361 N -0.87 0.23 0.02 0.26 5.85 0.52 -0.36 115.31 120.95 3h1k h LEU 361 Ca -0.01 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3h1k h LEU 361 Cb 0.61 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 3h1k h LEU 361 CO 0.02 0.12 -0.46 0.03 -0.34 0.00 0.00 178.44 177.80 3h1k h ARG 362 N 0.42 -0.60 -1.00 1.25 3.08 -0.75 0.16 114.38 116.93 3h1k h ARG 362 Ca 0.35 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.57 3h1k h ARG 362 Cb 0.48 0.14 -0.09 0.00 0.08 0.00 0.00 29.97 30.58 3h1k h ARG 362 CO -0.35 -0.40 0.63 0.77 -1.07 0.00 0.00 179.97 179.55 3h1k h SER 363 N -0.63 0.92 -0.58 7.04 0.02 -1.27 -1.31 113.55 117.73 3h1k h SER 363 Ca 0.03 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 3h1k h SER 363 Cb 0.69 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3h1k h SER 363 CO -0.32 0.47 0.07 0.00 -1.14 0.00 0.00 176.83 175.91 3h1k h ALA 364 N 1.55 0.97 0.53 3.77 0.00 0.32 0.65 119.26 127.05 3h1k h ALA 364 Ca 0.51 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3h1k h ALA 364 Cb 0.53 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3h1k h ALA 364 CO -0.27 0.64 -0.25 0.00 0.00 0.00 0.00 179.25 179.36 3h1k h MET 365 N 0.95 -0.68 -0.87 0.00 -0.00 0.14 -2.61 114.93 111.86 3h1k h MET 365 Ca 0.18 0.05 0.23 0.00 -0.00 0.00 0.00 59.70 60.16 3h1k h MET 365 Cb 0.45 0.16 -0.15 0.00 -0.00 0.00 0.00 31.60 32.06 3h1k h MET 365 CO 0.02 -0.39 0.13 0.28 -0.00 0.00 0.00 176.91 176.94 3h1k h VAL 366 N -1.06 0.25 -0.79 -0.10 2.07 -1.24 0.40 116.25 115.78 3h1k h VAL 366 Ca -0.07 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.50 3h1k h VAL 366 Cb 0.61 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 3h1k h VAL 366 CO 0.12 0.02 0.52 0.00 0.02 0.00 0.00 177.57 178.25 3h1k h ALA 367 N 1.81 1.79 0.00 1.67 0.00 -0.69 -0.42 119.26 123.42 3h1k h ALA 367 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3h1k h ALA 367 Cb 1.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3h1k h ALA 367 CO -0.72 0.04 0.00 1.96 0.00 0.00 0.00 179.25 180.53 3h1k h GLN 368 N 0.70 0.00 -1.80 0.00 4.20 0.20 -2.96 115.11 115.46 3h1k h GLN 368 Ca 0.37 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.38 3h1k h GLN 368 Cb 0.48 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.93 3h1k h GLN 368 CO -0.14 0.00 0.38 1.28 -0.67 0.00 0.00 178.83 179.68 3h1k n LEU 369 N -2.80 6.46 -4.17 1.46 4.77 -0.17 -4.47 117.00 118.08 3h1k n LEU 369 Ca -0.01 -4.98 -0.39 0.00 -0.03 0.00 0.00 56.01 50.61 3h1k n LEU 369 Cb 0.15 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 40.36 3h1k n LEU 369 CO 0.20 1.94 0.41 -0.62 -1.33 0.00 0.00 177.39 177.99 3h1k s ASP 370 N -2.03 6.23 0.00 -1.43 2.15 -1.12 -4.91 116.67 115.56 3h1k s ASP 370 Ca 0.51 -3.55 0.00 0.00 0.43 0.00 0.00 52.55 49.94 3h1k s ASP 370 Cb 0.43 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 41.06 3h1k s ASP 370 CO -0.32 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.04 3h1k n GLY 371 N 2.62 0.62 0.11 2.66 0.00 -1.26 -4.74 105.19 105.19 3h1k n GLY 371 Ca 0.20 -2.11 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 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 4.57 1.52 -0.10 2.61 -2.24 -1.26 -3.88 114.28 115.50 3h1k n THR 372 Ca 0.00 -0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 3h1k n THR 372 Cb 0.00 -2.05 -0.05 0.00 -2.10 0.00 0.00 70.33 66.13 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 0.12 0.00 4.28 2.02 -1.89 0.12 112.91 116.56 3h1k h THR 373 Ca -0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3h1k h THR 373 Cb 1.29 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3h1k h THR 373 CO -0.24 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.20 3h1k h PRO 374 N -0.36 0.00 0.03 6.66 0.13 -1.83 -2.03 132.00 134.60 3h1k h PRO 374 Ca 0.12 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.08 3h1k h PRO 374 Cb 0.59 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 3h1k h PRO 374 CO -0.54 0.00 -0.94 0.28 -0.23 0.00 0.00 178.00 176.57 3h1k h VAL 375 N 0.00 1.20 -0.55 1.56 2.07 -0.91 -3.15 116.25 116.48 3h1k h VAL 375 Ca 0.00 -2.29 0.01 0.00 0.82 0.00 0.00 66.70 65.24 3h1k h VAL 375 Cb 0.03 2.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3h1k h VAL 375 CO 0.00 0.51 0.36 0.00 0.02 0.00 0.00 177.57 178.46 3h1k h GLU 377 N 0.72 -0.62 -0.19 0.00 4.57 -1.50 1.69 114.58 119.25 3h1k h GLU 377 Ca 0.20 0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.48 3h1k h GLU 377 Cb -0.05 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.62 3h1k h GLU 377 CO -0.05 -0.41 -0.17 1.15 -1.18 0.00 0.00 179.01 178.35 3h1k h THR 378 N -0.64 0.54 -0.02 0.32 2.02 -1.30 0.17 112.91 114.00 3h1k h THR 378 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3h1k h THR 378 Cb 0.57 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3h1k h THR 378 CO -0.03 0.00 0.01 0.40 0.37 0.00 0.00 175.52 176.26 3h1k h ILE 379 N -0.18 1.09 -1.01 3.11 2.04 -0.81 2.15 117.51 123.90 3h1k h ILE 379 Ca 0.12 -0.27 0.22 0.00 1.00 0.00 0.00 64.86 65.93 3h1k h ILE 379 Cb 0.36 1.24 -0.12 0.00 -0.74 0.00 0.00 36.82 37.57 3h1k h ILE 379 CO -0.30 0.07 0.61 1.23 0.00 0.00 0.00 178.15 179.76 3h1k h GLY 380 N -0.08 1.84 0.00 5.37 0.00 0.30 -2.54 103.07 107.96 3h1k h GLY 380 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3h1k h GLY 380 CO -0.00 -0.15 0.00 1.44 0.00 0.00 0.00 176.54 177.83 3h1k n SER 381 N -4.82 0.00 -0.10 0.19 7.64 0.56 -3.24 113.62 113.85 3h1k n SER 381 Ca 0.25 0.38 -0.03 0.00 1.01 0.00 0.00 58.87 60.49 3h1k n SER 381 Cb 0.66 -0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 3h1k n SER 381 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3h1k n HIS 382 N -1.49 -0.10 0.04 1.43 -0.00 0.72 -0.38 115.22 115.43 3h1k n HIS 382 Ca 0.00 0.29 -0.02 0.00 -0.00 0.00 0.00 57.72 57.99 3h1k n HIS 382 Cb 0.00 -0.50 -0.01 0.00 -0.00 0.00 0.00 29.99 29.48 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 -0.13 -0.96 2.41 3.38 -1.10 0.66 115.31 119.57 3h1k h LEU 383 Ca 0.04 0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.27 3h1k h LEU 383 Cb 0.10 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 40.71 3h1k h LEU 383 CO -0.22 -0.08 -0.01 -0.11 0.09 0.00 0.00 178.44 178.12 3h1k n LEU 384 N -2.48 -0.14 -0.07 1.67 7.94 0.48 0.04 117.00 124.45 3h1k n LEU 384 Ca -0.02 1.63 -0.04 0.00 -1.11 0.00 0.00 56.01 56.47 3h1k n LEU 384 Cb 0.05 -0.58 -0.01 0.00 0.53 0.00 0.00 43.42 43.41 3h1k n LEU 384 CO 0.03 -1.64 -0.30 0.78 -1.11 0.00 0.00 177.39 175.16 3h1k h ASN 385 N 0.00 0.00 1.42 1.96 2.35 -0.77 -3.41 115.58 117.12 3h1k h ASN 385 Ca 0.57 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.24 3h1k h ASN 385 Cb 1.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 3h1k h ASN 385 CO -0.91 0.72 -0.39 1.88 -1.65 0.00 0.00 177.43 177.08 3h1k h TYR 386 N -1.00 0.00 0.00 1.19 0.05 0.34 -3.45 116.97 114.10 3h1k h TYR 386 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3h1k h TYR 386 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 3h1k h TYR 386 CO -0.19 0.39 0.00 0.41 -1.05 0.00 0.00 178.16 177.72 3h1k n GLY 387 N 0.96 2.85 0.00 3.88 0.00 0.11 -4.96 105.19 108.03 3h1k n GLY 387 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 3.65 -3.72 1.61 1.85 -1.26 -4.66 116.66 114.13 3h1k n ARG 388 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 3h1k n ARG 388 Cb 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 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 3.52 0.12 -0.20 2.89 6.06 -1.26 -2.42 118.95 127.66 3h1k s ARG 389 Ca 0.00 0.49 -0.15 0.00 -2.50 0.00 0.00 55.73 53.57 3h1k s ARG 389 Cb 0.00 -0.17 -0.04 0.00 0.06 0.00 0.00 34.95 34.80 3h1k s ARG 389 CO 0.00 -0.20 0.35 0.42 -2.50 0.00 0.00 175.30 173.36 3h1k s ILE 390 N 1.54 5.24 0.43 4.11 1.01 -1.26 -5.06 121.20 127.20 3h1k s ILE 390 Ca -0.06 0.61 -0.13 0.00 0.00 0.00 0.00 60.65 61.07 3h1k s ILE 390 Cb -0.11 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 3h1k s ILE 390 CO -0.07 0.29 0.83 -0.94 0.00 0.00 0.00 174.94 175.06 3h1k s SER 391 N 0.93 6.60 0.46 3.58 1.04 -1.26 -4.86 113.70 120.19 3h1k s SER 391 Ca 0.17 1.30 0.19 0.00 0.48 0.00 0.00 55.95 58.09 3h1k s SER 391 Cb -0.14 -2.39 1.17 0.00 0.10 0.00 0.00 66.02 64.76 3h1k s SER 391 CO 0.07 -0.43 1.95 -0.07 0.98 0.00 0.00 173.24 175.74 3h1k h LEU 392 N 1.31 0.25 -0.55 2.42 -0.00 -1.98 0.25 115.31 117.02 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 1.18 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.78 3h1k h LEU 392 CO 0.63 0.13 0.18 -0.08 -0.00 0.00 0.00 178.44 179.30 3h1k h GLU 393 N 0.27 0.85 0.40 1.13 4.81 -1.93 0.27 114.58 120.38 3h1k h GLU 393 Ca 0.32 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3h1k h GLU 393 Cb 0.89 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3h1k h GLU 393 CO -0.07 0.77 -0.19 1.49 -0.73 0.00 0.00 179.01 180.27 3h1k h GLU 394 N 0.76 -0.52 -0.03 1.92 4.81 -0.99 -2.82 114.58 117.70 3h1k h GLU 394 Ca 0.18 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3h1k h GLU 394 Cb 0.27 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 3h1k h GLU 394 CO -0.01 -0.35 -0.02 0.91 -0.73 0.00 0.00 179.01 178.82 3h1k n TRP 395 N -4.03 -0.01 -0.32 0.92 5.03 0.20 -1.38 117.44 117.85 3h1k n TRP 395 Ca -0.07 0.03 -0.05 0.00 3.03 0.00 0.00 57.50 60.44 3h1k n TRP 395 Cb 0.21 -0.48 -0.03 0.00 -1.03 0.00 0.00 31.31 29.99 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 -3.01 -0.69 -0.27 -0.99 -0.08 0.08 0.97 116.55 112.56 3h1k n ASP 396 Ca 0.00 1.40 0.02 0.00 -1.51 0.00 0.00 54.79 54.70 3h1k n ASP 396 Cb 0.01 -0.24 0.16 0.00 2.34 0.00 0.00 41.12 43.38 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 0.57 -0.06 1.67 0.87 -0.96 0.41 113.55 116.05 3h1k h SER 397 Ca 0.19 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.83 3h1k h SER 397 Cb 0.39 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3h1k h SER 397 CO -0.76 0.32 0.09 0.03 -0.53 0.00 0.00 176.83 175.98 3h1k h ARG 398 N 0.69 0.00 0.06 2.24 3.08 0.17 -1.49 114.38 119.14 3h1k h ARG 398 Ca 0.38 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.13 3h1k h ARG 398 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3h1k h ARG 398 CO -0.26 0.00 -1.61 0.82 -1.07 0.00 0.00 179.97 177.85 3h1k h ILE 399 N 0.00 0.79 -0.06 2.04 2.04 0.56 -3.35 117.51 119.52 3h1k h ILE 399 Ca 0.03 -2.26 0.02 0.00 1.00 0.00 0.00 64.86 63.64 3h1k h ILE 399 Cb 0.22 2.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3h1k h ILE 399 CO -0.00 0.60 0.12 0.28 0.00 0.00 0.00 178.15 179.15 3h1k h SER 400 N -0.48 0.00 1.36 1.72 0.02 0.37 -1.14 113.55 115.41 3h1k h SER 400 Ca -0.38 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 3h1k h SER 400 Cb 1.66 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.20 3h1k h SER 400 CO -0.06 0.00 -0.08 0.00 -1.14 0.00 0.00 176.83 175.55 3h1k h ALA 401 N 1.82 0.98 -2.65 3.77 0.00 -1.43 -3.46 119.26 118.30 3h1k h ALA 401 Ca 0.03 -0.07 -0.49 0.00 0.00 0.00 0.00 54.91 54.38 3h1k h ALA 401 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h1k h ALA 401 CO -0.00 0.10 0.41 0.08 0.00 0.00 0.00 179.25 179.84 3h1k s VAL 402 N -3.46 3.79 0.17 0.00 1.01 -0.43 -5.05 120.40 116.42 3h1k s VAL 402 Ca 0.03 1.61 -0.01 0.00 0.00 0.00 0.00 61.98 63.61 3h1k s VAL 402 Cb 0.08 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3h1k s VAL 402 CO 0.62 0.25 0.10 1.51 0.00 0.00 0.00 175.10 177.58 3h1k s ASP 403 N -1.26 0.21 0.00 3.32 -4.77 -1.26 -4.96 116.67 107.95 3h1k s ASP 403 Ca 0.49 -1.32 0.00 0.00 -3.30 0.00 0.00 52.55 48.42 3h1k s ASP 403 Cb -0.26 0.35 0.00 0.00 -1.09 0.00 0.00 42.92 41.92 3h1k s ASP 403 CO 0.33 -0.80 0.89 0.00 0.70 0.00 0.00 175.17 176.29 3h1k n ALA 404 N -0.20 -0.07 -0.24 2.11 0.00 -1.26 -1.07 120.51 119.78 3h1k n ALA 404 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.52 3h1k n ALA 404 Cb 0.65 0.37 0.18 0.00 0.00 0.00 0.00 19.45 20.65 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 -2.42 -0.06 -0.32 0.00 0.00 -1.26 0.14 116.66 112.74 3h1k n ARG 405 Ca 0.00 1.03 -0.03 0.00 -0.00 0.00 0.00 57.85 58.85 3h1k n ARG 405 Cb 0.00 -1.61 0.12 0.00 0.00 0.00 0.00 32.46 30.96 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 1.22 0.35 -0.14 4.05 -1.50 -2.89 114.93 116.02 3h1k h MET 406 Ca 0.39 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.67 3h1k h MET 406 Cb 0.77 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 3h1k h MET 406 CO -0.66 0.88 -0.17 0.28 0.23 0.00 0.00 176.91 177.48 3h1k h VAL 407 N 1.23 0.64 -1.07 -5.77 2.07 0.20 -2.62 116.25 110.93 3h1k h VAL 407 Ca 0.31 -0.52 0.29 0.00 0.82 0.00 0.00 66.70 67.61 3h1k h VAL 407 Cb -0.00 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 3h1k h VAL 407 CO -0.05 0.10 0.70 0.03 0.02 0.00 0.00 177.57 178.36 3h1k h ARG 408 N -0.77 0.32 -0.19 1.57 3.08 -1.45 0.91 114.38 117.85 3h1k h ARG 408 Ca -0.05 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.78 3h1k h ARG 408 Cb 0.51 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.50 3h1k h ARG 408 CO 0.08 0.21 -0.66 -0.44 -1.07 0.00 0.00 179.97 178.09 3h1k h ASP 409 N 0.33 0.91 -0.02 7.04 3.32 -1.36 -2.25 116.42 124.39 3h1k h ASP 409 Ca 0.61 -0.60 -0.21 0.00 0.02 0.00 0.00 57.03 56.85 3h1k h ASP 409 Cb 1.66 -0.27 0.02 0.00 0.22 0.00 0.00 39.33 40.96 3h1k h ASP 409 CO -0.28 1.35 -0.82 0.58 -1.72 0.00 0.00 179.24 178.36 3h1k h VAL 410 N 0.52 1.34 -0.35 -1.35 2.07 -0.68 -1.54 116.25 116.25 3h1k h VAL 410 Ca -0.03 -2.13 -0.03 0.00 0.82 0.00 0.00 66.70 65.33 3h1k h VAL 410 Cb 1.29 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 33.46 3h1k h VAL 410 CO 0.14 0.64 0.09 0.00 0.02 0.00 0.00 177.57 178.47 3h1k h SER 412 N 0.42 -0.37 -0.34 0.00 0.02 -1.42 1.13 113.55 112.99 3h1k h SER 412 Ca 0.11 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 3h1k h SER 412 Cb 0.29 0.26 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 3h1k h SER 412 CO 0.00 -0.13 -0.03 0.50 -1.14 0.00 0.00 176.83 176.03 3h1k h LYS 413 N 0.02 0.05 0.00 3.45 3.64 -0.74 -2.49 116.57 120.50 3h1k h LYS 413 Ca 0.22 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3h1k h LYS 413 Cb 0.33 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3h1k h LYS 413 CO -0.44 0.04 -0.98 0.66 -2.27 0.00 0.00 179.45 176.45 3h1k n TYR 414 N -5.22 0.04 -0.03 1.91 4.02 -0.70 -4.74 117.16 112.44 3h1k n TYR 414 Ca 0.01 0.01 -0.05 0.00 -0.01 0.00 0.00 57.90 57.86 3h1k n TYR 414 Cb 0.19 -0.16 -0.02 0.00 -0.02 0.00 0.00 39.34 39.33 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 -1.63 1.37 -1.55 -0.72 5.41 0.38 -4.73 119.36 117.89 3h1k n ILE 415 Ca 0.03 0.25 -0.51 0.00 1.00 0.00 0.00 62.75 63.52 3h1k n ILE 415 Cb 0.37 -2.04 -0.05 0.00 -0.71 0.00 0.00 39.64 37.21 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 -4.05 1.04 -3.72 1.39 9.36 -0.94 -2.94 117.16 117.30 3h1k n TYR 416 Ca -0.08 0.77 -0.26 0.00 3.32 0.00 0.00 57.90 61.64 3h1k n TYR 416 Cb 0.31 -2.22 0.01 0.00 -0.63 0.00 0.00 39.34 36.80 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 2.00 -3.32 -4.11 2.98 4.64 0.12 -4.93 116.55 113.93 3h1k n ASP 417 Ca 0.17 -0.85 -0.18 0.00 -1.38 0.00 0.00 54.79 52.54 3h1k n ASP 417 Cb 0.21 -1.18 -0.13 0.00 -1.04 0.00 0.00 41.12 38.98 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 -5.45 0.81 -0.15 -0.67 -0.14 -1.15 -5.11 119.74 107.88 3h1k s LYS 418 Ca 0.17 -0.69 -0.29 0.00 -1.36 0.00 0.00 55.97 53.79 3h1k s LYS 418 Cb -0.10 -0.78 -0.01 0.00 -1.68 0.00 0.00 37.83 35.27 3h1k s LYS 418 CO 0.70 0.19 1.04 0.00 -0.76 0.00 0.00 175.35 176.52 3h1k s PRO 420 N 2.50 2.69 -0.09 0.00 0.04 -1.26 -4.29 135.00 134.59 3h1k s PRO 420 Ca 0.48 -1.35 -0.04 0.00 0.04 0.00 0.00 61.00 60.13 3h1k s PRO 420 Cb -0.18 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 3h1k s PRO 420 CO 0.14 -0.43 0.07 0.00 0.04 0.00 0.00 177.00 176.82 3h1k s ALA 421 N -2.44 3.59 -0.04 8.56 0.00 -0.12 -1.52 121.76 129.80 3h1k s ALA 421 Ca 0.57 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.81 3h1k s ALA 421 Cb -0.09 -1.71 0.01 0.00 0.00 0.00 0.00 23.12 21.33 3h1k s ALA 421 CO 0.35 0.62 -0.09 -1.17 0.00 0.00 0.00 175.76 175.46 3h1k s LEU 422 N -1.05 1.65 -0.17 0.00 2.96 0.94 -1.92 118.68 121.09 3h1k s LEU 422 Ca 0.15 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 3h1k s LEU 422 Cb -0.12 -0.59 0.04 0.00 0.50 0.00 0.00 46.19 46.02 3h1k s LEU 422 CO 0.05 0.03 -0.10 0.00 -1.32 0.00 0.00 176.35 175.01 3h1k s ALA 423 N 0.45 1.79 -0.05 5.97 0.00 -0.06 -0.64 121.76 129.22 3h1k s ALA 423 Ca -0.08 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 50.95 3h1k s ALA 423 Cb -0.12 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 3h1k s ALA 423 CO 0.01 -0.68 -0.24 0.00 0.00 0.00 0.00 175.76 174.85 3h1k s ALA 424 N 1.50 2.22 -0.10 0.00 0.00 -0.72 -0.59 121.76 124.07 3h1k s ALA 424 Ca 0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 3h1k s ALA 424 Cb -0.15 -0.69 0.05 0.00 0.00 0.00 0.00 23.12 22.33 3h1k s ALA 424 CO -0.09 0.45 0.22 0.08 0.00 0.00 0.00 175.76 176.42 3h1k s VAL 425 N -0.28 -0.16 0.00 0.00 1.01 -0.69 -0.47 120.40 119.81 3h1k s VAL 425 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3h1k s VAL 425 Cb -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3h1k s VAL 425 CO 0.03 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3h1k n GLY 426 N 4.65 0.13 2.26 4.51 0.00 0.71 -1.38 105.19 116.07 3h1k n GLY 426 Ca -0.18 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 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 2.81 -0.15 1.61 -0.04 -0.94 -1.82 135.00 136.47 3h1k n PRO 427 Ca 0.00 -1.64 -0.01 0.00 -0.04 0.00 0.00 63.50 61.81 3h1k n PRO 427 Cb 0.00 -2.45 0.04 0.00 -0.04 0.00 0.00 33.50 31.05 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 3.30 0.89 0.00 0.52 -5.35 -1.26 -4.55 119.36 112.90 3h1k n ILE 428 Ca 0.60 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.84 3h1k n ILE 428 Cb 0.43 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 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 0.19 0.00 -0.00 6.28 2.13 -1.26 -2.05 120.64 125.92 3h1k n GLU 429 Ca 0.06 0.29 0.07 0.00 0.66 0.00 0.00 57.16 58.24 3h1k n GLU 429 Cb 0.54 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.65 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 -1.29 1.44 0.19 5.31 7.27 -1.26 -4.62 117.38 124.42 3h1k n GLN 430 Ca 0.00 -0.06 -0.14 0.00 0.07 0.00 0.00 57.00 56.86 3h1k n GLN 430 Cb 0.00 -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 -0.39 0.00 1.69 5.85 -1.77 -3.40 115.31 117.30 3h1k h LEU 431 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3h1k h LEU 431 Cb 0.49 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3h1k h LEU 431 CO 0.00 -0.14 0.00 0.18 -0.34 0.00 0.00 178.44 178.14 3h1k n LEU 432 N -5.22 0.00 -2.27 2.25 4.77 -1.26 -4.94 117.00 110.34 3h1k n LEU 432 Ca -0.10 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.86 3h1k n LEU 432 Cb 0.24 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3h1k n LEU 432 CO 0.34 0.00 -0.48 -0.67 -1.33 0.00 0.00 177.39 175.24 3h1k n ASP 433 N 0.00 -6.40 0.08 -1.43 4.64 -1.26 -4.64 116.55 107.53 3h1k n ASP 433 Ca 0.00 1.52 -0.12 0.00 -1.38 0.00 0.00 54.79 54.81 3h1k n ASP 433 Cb 0.00 -4.75 -0.06 0.00 -1.04 0.00 0.00 41.12 35.28 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 3.73 -0.29 -0.81 -0.67 3.20 -1.98 -1.98 116.97 118.17 3h1k h TYR 434 Ca -0.14 0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.86 3h1k h TYR 434 Cb 0.32 0.12 -0.13 0.00 1.54 0.00 0.00 36.73 38.58 3h1k h TYR 434 CO 0.00 -0.17 -0.29 0.09 -1.64 0.00 0.00 178.16 176.15 3h1k n ASN 435 N -5.23 -0.47 0.26 -2.11 3.02 -1.26 0.16 115.26 109.62 3h1k n ASN 435 Ca -0.06 1.40 -0.15 0.00 -0.03 0.00 0.00 54.58 55.74 3h1k n ASN 435 Cb 0.16 -0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 38.90 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 -0.62 -1.03 3.52 2.47 -1.76 -1.52 114.38 115.44 3h1k h ARG 436 Ca 0.30 0.04 0.27 0.00 -1.26 0.00 0.00 59.98 59.33 3h1k h ARG 436 Cb 0.51 0.14 -0.12 0.00 -1.65 0.00 0.00 29.97 28.85 3h1k h ARG 436 CO -0.81 -0.35 0.63 0.82 0.56 0.00 0.00 179.97 180.83 3h1k h ILE 437 N -0.78 0.49 0.23 2.04 2.04 0.12 0.35 117.51 122.00 3h1k h ILE 437 Ca -0.07 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3h1k h ILE 437 Cb 0.56 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3h1k h ILE 437 CO 0.11 0.09 -0.11 -0.09 0.00 0.00 0.00 178.15 178.14 3h1k h ARG 438 N 0.47 -0.30 -0.14 2.37 9.65 0.21 -2.55 114.38 124.10 3h1k h ARG 438 Ca 0.64 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.58 3h1k h ARG 438 Cb 1.43 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 30.07 3h1k h ARG 438 CO -0.42 -0.11 0.15 0.77 2.80 0.00 0.00 179.97 183.16 3h1k h SER 439 N -0.42 0.00 0.00 -3.80 0.02 0.06 0.93 113.55 110.34 3h1k h SER 439 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3h1k h SER 439 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3h1k h SER 439 CO 0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 3h1k n GLY 440 N -1.39 -0.53 1.17 -3.77 0.00 -0.79 -2.51 105.19 97.37 3h1k n GLY 440 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.57 2.61 -3.57 1.61 2.00 0.32 -4.75 117.12 114.76 3h1k n MET 441 Ca 0.02 -2.19 -0.15 0.00 0.00 0.00 0.00 57.70 55.37 3h1k n MET 441 Cb 0.01 -1.55 -0.06 0.00 0.00 0.00 0.00 33.22 31.62 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 -1.36 -0.64 0.03 2.03 -0.85 -1.04 -0.70 117.35 114.81 3h1k s TYR 442 Ca 0.40 1.29 0.00 0.00 -0.52 0.00 0.00 57.07 58.24 3h1k s TYR 442 Cb 0.22 0.37 0.00 0.00 0.38 0.00 0.00 41.96 42.94 3h1k s TYR 442 CO 0.25 -0.48 0.00 1.87 -1.52 0.00 0.00 175.55 175.67 3h1k n TRP 443 N 1.49 -0.88 0.00 -3.49 -0.00 -1.26 -5.04 117.44 108.26 3h1k n TRP 443 Ca -0.16 0.53 0.00 0.00 -0.00 0.00 0.00 57.50 57.87 3h1k n TRP 443 Cb 0.56 -2.31 0.00 0.00 -0.00 0.00 0.00 31.31 29.56 3h1k n TRP 443 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80