#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2h s ALA 2 N 0.00 -2.01 0.22 -5.12 0.00 -1.26 -5.05 121.76 108.54 1s2h s ALA 2 Ca 0.00 1.61 0.08 0.00 0.00 0.00 0.00 51.96 53.65 1s2h s ALA 2 Cb 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 1s2h s ALA 2 CO 0.00 -0.41 -0.14 -0.48 0.00 0.00 0.00 175.76 174.73 1s2h s LEU 3 N -1.52 2.55 -1.32 0.00 0.05 -1.26 -4.76 118.68 112.41 1s2h s LEU 3 Ca 0.05 -1.04 -0.13 0.00 0.05 0.00 0.00 54.13 53.05 1s2h s LEU 3 Cb -0.01 -0.70 0.12 0.00 -2.05 0.00 0.00 46.19 43.55 1s2h s LEU 3 CO -0.04 -0.18 0.50 0.00 -0.55 0.00 0.00 176.35 176.09 1s2h n GLN 4 N -0.42 -2.66 -3.69 1.48 10.64 -1.26 -4.92 117.38 116.55 1s2h n GLN 4 Ca -0.07 0.31 -0.17 0.00 -1.83 0.00 0.00 57.00 55.23 1s2h n GLN 4 Cb 0.61 -4.96 -0.16 0.00 -0.86 0.00 0.00 30.24 24.87 1s2h n GLN 4 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1s2h s LEU 5 N -6.60 0.22 0.41 2.61 0.20 -1.26 -5.15 118.68 109.10 1s2h s LEU 5 Ca 0.51 0.24 -0.17 0.00 0.69 0.00 0.00 54.13 55.40 1s2h s LEU 5 Cb -0.28 0.15 -0.09 0.00 -0.43 0.00 0.00 46.19 45.53 1s2h s LEU 5 CO 0.63 -0.22 0.87 -0.55 -0.29 0.00 0.00 176.35 176.80 1s2h s SER 6 N 1.96 6.80 -0.44 3.68 0.15 -1.26 -4.98 113.70 119.62 1s2h s SER 6 Ca 0.00 1.49 0.04 0.00 0.70 0.00 0.00 55.95 58.19 1s2h s SER 6 Cb -0.12 -2.46 0.67 0.00 -1.71 0.00 0.00 66.02 62.39 1s2h s SER 6 CO -0.05 -0.35 1.90 -2.11 1.20 0.00 0.00 173.24 173.83 1s2h n ARG 7 N -0.77 2.26 0.01 5.44 1.85 -1.26 -4.11 116.66 120.08 1s2h n ARG 7 Ca 0.05 -3.02 -0.10 0.00 -1.00 0.00 0.00 57.85 53.79 1s2h n ARG 7 Cb 0.54 -2.17 -0.14 0.00 -1.05 0.00 0.00 32.46 29.65 1s2h n ARG 7 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1s2h h GLU 8 N 1.03 0.04 0.00 2.89 4.81 -2.06 -3.42 114.58 117.87 1s2h h GLU 8 Ca 0.62 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.59 1s2h h GLU 8 Cb 2.82 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 32.09 1s2h h GLU 8 CO 1.07 0.70 -0.24 0.94 -0.73 0.00 0.00 179.01 180.76 1s2h n GLN 9 N -3.17 0.96 -1.59 1.92 7.27 -1.26 -5.15 117.38 116.35 1s2h n GLN 9 Ca -0.14 -1.58 -0.29 0.00 0.07 0.00 0.00 57.00 55.06 1s2h n GLN 9 Cb 1.03 -0.10 0.12 0.00 2.41 0.00 0.00 30.24 33.69 1s2h n GLN 9 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1s2h s GLY 10 N -0.98 1.59 -0.03 1.69 0.00 -1.26 -5.01 107.32 103.32 1s2h s GLY 10 Ca 0.18 -0.48 0.06 0.00 0.00 0.00 0.00 44.72 44.48 1s2h s GLY 10 CO -0.07 0.04 0.09 1.39 0.00 0.00 0.00 173.10 174.55 1s2h n ILE 11 N -3.64 0.17 0.00 0.90 2.08 -1.26 -3.74 119.36 113.86 1s2h n ILE 11 Ca 0.07 -0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.19 1s2h n ILE 11 Cb 0.59 -0.15 0.00 0.00 -0.75 0.00 0.00 39.64 39.33 1s2h n ILE 11 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1s2h n THR 12 N -1.92 0.00 -0.03 1.39 -2.24 -1.26 -2.98 114.28 107.24 1s2h n THR 12 Ca -0.05 0.59 -0.12 0.00 -2.27 0.00 0.00 64.05 62.21 1s2h n THR 12 Cb 0.38 -1.54 -0.10 0.00 -2.10 0.00 0.00 70.33 66.97 1s2h n THR 12 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1s2h h LEU 13 N 0.00 -0.04 -1.47 3.22 4.07 -1.89 -3.27 115.31 115.93 1s2h h LEU 13 Ca 0.00 -0.65 0.30 0.00 0.08 0.00 0.00 57.88 57.61 1s2h h LEU 13 Cb 0.00 0.01 -0.09 0.00 1.08 0.00 0.00 40.66 41.66 1s2h h LEU 13 CO 0.00 0.70 0.71 -0.09 -1.08 0.00 0.00 178.44 178.69 1s2h h ARG 14 N -0.87 0.29 0.77 1.13 2.43 -1.80 0.55 114.38 116.89 1s2h h ARG 14 Ca -0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1s2h h ARG 14 Cb 0.69 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1s2h h ARG 14 CO 0.01 0.19 -0.37 0.78 -1.51 0.00 0.00 179.97 179.07 1s2h h GLY 15 N 0.30 -1.09 1.82 2.80 0.00 -1.60 0.83 103.07 106.13 1s2h h GLY 15 Ca 0.61 0.40 -0.02 0.00 0.00 0.00 0.00 47.33 48.32 1s2h h GLY 15 CO -0.26 -0.39 0.00 1.76 0.00 0.00 0.00 176.54 177.64 1s2h h SER 16 N -1.11 0.21 0.37 0.19 0.02 -1.22 -0.60 113.55 111.40 1s2h h SER 16 Ca -0.11 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.70 1s2h h SER 16 Cb 0.81 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1s2h h SER 16 CO 0.17 0.25 -0.51 0.00 -1.14 0.00 0.00 176.83 175.61 1s2h h ALA 17 N 1.78 1.04 -0.16 3.77 0.00 0.41 -2.18 119.26 123.90 1s2h h ALA 17 Ca 0.06 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1s2h h ALA 17 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1s2h h ALA 17 CO 0.00 0.65 0.10 1.49 0.00 0.00 0.00 179.25 181.49 1s2h h GLU 18 N 0.13 0.23 0.67 0.00 4.81 0.23 1.03 114.58 121.68 1s2h h GLU 18 Ca 0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1s2h h GLU 18 Cb 0.94 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.28 1s2h h GLU 18 CO 0.07 0.21 -0.32 0.82 -0.73 0.00 0.00 179.01 179.06 1s2h h ILE 19 N 0.18 0.31 -0.49 2.32 1.08 -1.38 0.30 117.51 119.83 1s2h h ILE 19 Ca 0.06 -0.09 0.07 0.00 -0.39 0.00 0.00 64.86 64.50 1s2h h ILE 19 Cb 0.04 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.11 1s2h h ILE 19 CO -0.01 0.01 0.33 0.58 -0.69 0.00 0.00 178.15 178.37 1s2h h VAL 20 N -0.97 0.94 -0.02 1.67 2.07 -1.30 1.35 116.25 120.00 1s2h h VAL 20 Ca -0.09 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1s2h h VAL 20 Cb 0.71 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1s2h h VAL 20 CO 0.15 0.07 -0.03 0.00 0.02 0.00 0.00 177.57 177.78 1s2h h ALA 21 N 1.74 0.03 -0.30 1.67 0.00 0.15 -0.80 119.26 121.74 1s2h h ALA 21 Ca 0.22 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1s2h h ALA 21 Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1s2h h ALA 21 CO -0.05 -0.17 -0.35 0.93 0.00 0.00 0.00 179.25 179.61 1s2h h GLU 22 N -0.48 0.67 -0.76 0.00 4.39 0.19 -0.96 114.58 117.63 1s2h h GLU 22 Ca 0.00 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.40 1s2h h GLU 22 Cb 0.59 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1s2h h GLU 22 CO 0.01 0.92 0.49 0.35 -1.16 0.00 0.00 179.01 179.62 1s2h h PHE 23 N 0.56 0.93 0.13 4.33 3.04 0.18 0.16 116.94 126.26 1s2h h PHE 23 Ca 0.06 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1s2h h PHE 23 Cb 0.86 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1s2h h PHE 23 CO 0.04 0.56 -0.06 0.35 -2.02 0.00 0.00 178.31 177.18 1s2h h PHE 24 N 0.99 -0.16 -0.33 0.41 3.04 -0.95 -0.92 116.94 119.03 1s2h h PHE 24 Ca 0.29 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.30 1s2h h PHE 24 Cb -0.06 0.05 -0.07 0.00 2.56 0.00 0.00 35.95 38.43 1s2h h PHE 24 CO -0.03 0.31 -0.10 1.03 -2.02 0.00 0.00 178.31 177.50 1s2h h SER 25 N -0.75 -0.36 -0.35 0.41 0.87 -1.04 0.84 113.55 113.17 1s2h h SER 25 Ca -0.02 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1s2h h SER 25 Cb 0.54 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 1s2h h SER 25 CO 0.03 -0.13 0.16 -0.26 -0.53 0.00 0.00 176.83 176.10 1s2h h PHE 26 N -0.03 0.50 -0.95 2.24 0.04 -0.77 0.24 116.94 118.21 1s2h h PHE 26 Ca 0.16 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 1s2h h PHE 26 Cb 0.27 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.22 1s2h h PHE 26 CO -0.32 0.44 0.58 0.78 -0.60 0.00 0.00 178.31 179.19 1s2h h GLY 27 N 0.42 1.38 0.69 -1.45 0.00 -0.23 0.28 103.07 104.16 1s2h h GLY 27 Ca 0.12 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 1s2h h GLY 27 CO -0.01 0.55 -0.16 -2.22 0.00 0.00 0.00 176.54 174.70 1s2h h ILE 28 N 1.31 1.37 -0.26 2.60 1.08 0.10 -2.40 117.51 121.31 1s2h h ILE 28 Ca 0.34 -1.38 -0.00 0.00 -0.39 0.00 0.00 64.86 63.43 1s2h h ILE 28 Cb -0.07 2.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.69 1s2h h ILE 28 CO -0.07 0.40 0.15 0.78 -0.69 0.00 0.00 178.15 178.73 1s2h h ASN 29 N -0.11 0.32 -0.99 1.72 2.35 -0.30 -1.70 115.58 116.86 1s2h h ASN 29 Ca 0.01 -0.06 0.12 0.00 -0.55 0.00 0.00 56.30 55.82 1s2h h ASN 29 Cb 0.71 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.92 1s2h h ASN 29 CO 0.04 0.28 0.62 0.28 -1.65 0.00 0.00 177.43 177.00 1s2h h SER 30 N 0.32 0.90 0.30 5.81 0.02 -0.47 0.24 113.55 120.68 1s2h h SER 30 Ca 0.09 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1s2h h SER 30 Cb 0.03 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1s2h h SER 30 CO -0.02 0.48 -0.29 0.40 -1.14 0.00 0.00 176.83 176.26 1s2h h ILE 31 N 0.97 1.19 -0.70 3.27 2.04 -0.85 -1.24 117.51 122.19 1s2h h ILE 31 Ca 0.49 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1s2h h ILE 31 Cb 0.49 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1s2h h ILE 31 CO -0.27 0.28 0.44 -0.07 0.00 0.00 0.00 178.15 178.54 1s2h h LEU 32 N 0.00 0.83 0.06 1.44 -0.00 0.35 1.19 115.31 119.17 1s2h h LEU 32 Ca -0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1s2h h LEU 32 Cb 0.52 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1s2h h LEU 32 CO 0.04 0.62 -0.03 0.22 -0.00 0.00 0.00 178.44 179.29 1s2h h TYR 33 N 0.96 -0.07 0.08 1.13 5.03 -1.00 0.18 116.97 123.27 1s2h h TYR 33 Ca 0.26 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.56 1s2h h TYR 33 Cb -0.07 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.24 1s2h h TYR 33 CO 0.00 0.38 -0.04 1.96 -1.32 0.00 0.00 178.16 179.15 1s2h h GLN 34 N -0.56 -0.10 -0.21 1.82 7.50 -0.65 -3.17 115.11 119.74 1s2h h GLN 34 Ca -0.01 0.01 -0.19 0.00 0.50 0.00 0.00 58.65 58.96 1s2h h GLN 34 Cb 0.49 0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.04 1s2h h GLN 34 CO 0.01 0.09 -0.64 0.00 -1.50 0.00 0.00 178.83 176.80 1s2h h ARG 35 N -0.27 0.75 -0.57 1.46 -0.00 0.13 -3.48 114.38 112.41 1s2h h ARG 35 Ca -0.01 -0.53 0.00 0.00 -0.50 0.00 0.00 59.98 58.94 1s2h h ARG 35 Cb 0.23 0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.29 1s2h h ARG 35 CO 0.02 1.15 0.00 0.41 0.00 0.00 0.00 179.97 181.55 1s2h n GLY 36 N 0.46 0.95 0.30 0.04 0.00 0.62 -4.87 105.19 102.69 1s2h n GLY 36 Ca -0.05 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.60 1s2h n GLY 36 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1s2h h ILE 37 N 0.00 0.00 -2.01 -0.61 1.08 -1.77 -3.44 117.51 110.76 1s2h h ILE 37 Ca 0.00 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.76 1s2h h ILE 37 Cb 0.69 0.55 -0.08 0.00 -3.07 0.00 0.00 36.82 34.91 1s2h h ILE 37 CO 0.00 0.00 0.79 -0.72 -0.69 0.00 0.00 178.15 177.53 1s2h s TYR 38 N -3.92 0.00 -0.48 1.37 1.13 -1.26 -4.63 117.35 109.57 1s2h s TYR 38 Ca -0.03 -0.18 -0.44 0.00 -1.41 0.00 0.00 57.07 55.01 1s2h s TYR 38 Cb 0.07 0.59 -0.19 0.00 -1.10 0.00 0.00 41.96 41.33 1s2h s TYR 38 CO 0.22 -0.43 1.74 -2.30 -2.51 0.00 0.00 175.55 172.27 1s2h n PRO 39 N -0.71 0.00 0.29 -3.49 -0.02 -1.26 -4.81 135.00 125.00 1s2h n PRO 39 Ca -0.02 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.64 1s2h n PRO 39 Cb 0.60 -1.43 0.84 0.00 -0.02 0.00 0.00 33.50 33.49 1s2h n PRO 39 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1s2h h SER 40 N 6.37 0.00 0.00 2.55 0.02 -1.94 -2.79 113.55 117.76 1s2h h SER 40 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1s2h h SER 40 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1s2h h SER 40 CO 0.98 0.03 0.10 1.21 -1.14 0.00 0.00 176.83 178.01 1s2h n GLU 41 N -3.19 0.00 -1.24 3.45 2.13 -1.26 -1.09 120.64 119.44 1s2h n GLU 41 Ca -0.01 0.34 -0.29 0.00 0.66 0.00 0.00 57.16 57.87 1s2h n GLU 41 Cb 0.23 -1.60 0.12 0.00 0.27 0.00 0.00 31.44 30.46 1s2h n GLU 41 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1s2h n THR 42 N -1.33 3.38 -3.52 6.31 -2.24 -1.06 -4.97 114.28 110.84 1s2h n THR 42 Ca 0.00 -2.40 -0.23 0.00 -2.27 0.00 0.00 64.05 59.15 1s2h n THR 42 Cb 0.10 -0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 67.44 1s2h n THR 42 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1s2h s PHE 43 N -3.45 3.48 -0.14 4.78 0.08 -0.25 0.15 117.98 122.63 1s2h s PHE 43 Ca 0.59 0.25 -0.05 0.00 0.12 0.00 0.00 56.93 57.83 1s2h s PHE 43 Cb 0.48 -1.82 0.07 0.00 -0.57 0.00 0.00 43.02 41.17 1s2h s PHE 43 CO 0.04 0.19 0.30 -0.08 -0.10 0.00 0.00 175.22 175.57 1s2h s THR 44 N -2.24 -0.41 0.17 0.64 -1.32 0.43 -4.73 115.64 108.18 1s2h s THR 44 Ca 0.39 0.24 -0.30 0.00 -1.21 0.00 0.00 61.69 60.81 1s2h s THR 44 Cb -0.09 -0.49 -0.07 0.00 -1.51 0.00 0.00 72.50 70.34 1s2h s THR 44 CO 0.34 0.10 1.00 -0.60 -2.21 0.00 0.00 174.62 173.26 1s2h s ARG 45 N 2.31 4.70 0.02 7.08 3.52 -1.26 -0.30 118.95 135.02 1s2h s ARG 45 Ca -0.01 1.55 -0.12 0.00 -0.13 0.00 0.00 55.73 57.03 1s2h s ARG 45 Cb -0.12 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1s2h s ARG 45 CO -0.09 0.24 0.26 0.14 -0.81 0.00 0.00 175.30 175.03 1s2h s VAL 46 N -0.37 0.08 -0.30 7.11 -7.23 0.90 -4.96 120.40 115.63 1s2h s VAL 46 Ca 0.46 -0.68 -0.05 0.00 -1.81 0.00 0.00 61.98 59.90 1s2h s VAL 46 Cb -0.26 -0.78 0.03 0.00 0.56 0.00 0.00 36.38 35.93 1s2h s VAL 46 CO 0.32 -0.38 0.05 -1.58 -0.31 0.00 0.00 175.10 173.21 1s2h s GLN 47 N -2.06 2.78 0.09 4.82 0.74 -1.26 0.12 119.66 124.88 1s2h s GLN 47 Ca -0.09 -1.06 -0.03 0.00 0.05 0.00 0.00 55.36 54.24 1s2h s GLN 47 Cb -0.03 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.75 1s2h s GLN 47 CO -0.01 -0.54 0.05 0.21 -0.55 0.00 0.00 175.29 174.46 1s2h s LYS 48 N 1.39 0.77 0.00 1.67 2.20 0.29 -4.83 119.74 121.24 1s2h s LYS 48 Ca -0.01 -1.23 0.00 0.00 -0.36 0.00 0.00 55.97 54.37 1s2h s LYS 48 Cb -0.18 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1s2h s LYS 48 CO 0.01 -0.20 0.00 0.66 -0.36 0.00 0.00 175.35 175.46 1s2h n TYR 49 N 0.00 0.00 -0.02 4.03 4.02 -1.26 -0.85 117.16 123.08 1s2h n TYR 49 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1s2h n TYR 49 Cb 0.62 -1.88 0.00 0.00 -0.02 0.00 0.00 39.34 38.06 1s2h n TYR 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s2h n GLY 50 N 0.88 0.31 3.26 2.72 0.00 -1.26 -4.48 105.19 106.63 1s2h n GLY 50 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1s2h n GLY 50 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1s2h s LEU 51 N 0.00 2.23 -0.04 0.99 0.05 -0.03 -5.14 118.68 116.73 1s2h s LEU 51 Ca 0.00 -1.15 -0.23 0.00 0.05 0.00 0.00 54.13 52.80 1s2h s LEU 51 Cb 0.00 -0.16 -0.04 0.00 -2.05 0.00 0.00 46.19 43.93 1s2h s LEU 51 CO 0.00 -0.51 0.68 -0.89 -0.55 0.00 0.00 176.35 175.08 1s2h s THR 52 N -3.54 4.98 0.05 5.48 2.01 -1.26 -0.55 115.64 122.82 1s2h s THR 52 Ca 0.23 1.40 0.02 0.00 0.31 0.00 0.00 61.69 63.66 1s2h s THR 52 Cb 0.05 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1s2h s THR 52 CO 0.04 0.31 -0.08 -1.48 -0.69 0.00 0.00 174.62 172.72 1s2h s LEU 53 N 0.47 2.29 0.41 4.42 2.34 0.32 -4.95 118.68 123.97 1s2h s LEU 53 Ca 0.36 -0.60 -0.00 0.00 0.06 0.00 0.00 54.13 53.94 1s2h s LEU 53 Cb -0.18 -0.15 -0.02 0.00 -0.56 0.00 0.00 46.19 45.28 1s2h s LEU 53 CO 0.18 -0.24 0.64 -0.76 -1.06 0.00 0.00 176.35 175.11 1s2h s LEU 54 N -1.75 3.79 0.11 1.48 1.43 -1.26 -0.07 118.68 122.40 1s2h s LEU 54 Ca -0.08 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 1s2h s LEU 54 Cb -0.08 -3.30 0.02 0.00 0.03 0.00 0.00 46.19 42.86 1s2h s LEU 54 CO -0.00 -0.53 0.30 -0.69 0.23 0.00 0.00 176.35 175.66 1s2h s VAL 55 N -2.48 0.10 -0.27 -1.59 1.01 0.59 -4.35 120.40 113.40 1s2h s VAL 55 Ca 0.45 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1s2h s VAL 55 Cb -0.10 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1s2h s VAL 55 CO 0.38 -0.47 0.14 0.42 0.00 0.00 0.00 175.10 175.56 1s2h s THR 56 N -3.83 4.79 -0.36 3.92 -4.23 -1.26 0.16 115.64 114.82 1s2h s THR 56 Ca 0.04 -0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 60.43 1s2h s THR 56 Cb 0.03 -3.29 -0.09 0.00 1.34 0.00 0.00 72.50 70.49 1s2h s THR 56 CO -0.11 0.25 3.14 0.35 -0.54 0.00 0.00 174.62 177.71 1s2h n THR 57 N 4.99 3.34 -3.16 3.99 -2.24 0.40 -4.83 114.28 116.77 1s2h n THR 57 Ca -0.15 -2.39 -0.40 0.00 -2.27 0.00 0.00 64.05 58.84 1s2h n THR 57 Cb 0.51 -1.85 -0.06 0.00 -2.10 0.00 0.00 70.33 66.83 1s2h n THR 57 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s2h s ASP 58 N 1.17 6.59 0.23 3.42 2.15 -1.26 -4.94 116.67 124.03 1s2h s ASP 58 Ca 0.63 0.71 -0.02 0.00 0.43 0.00 0.00 52.55 54.30 1s2h s ASP 58 Cb 0.33 -2.32 0.25 0.00 -0.30 0.00 0.00 42.92 40.88 1s2h s ASP 58 CO -0.11 -0.29 1.65 -0.07 -0.17 0.00 0.00 175.17 176.17 1s2h h LEU 59 N 8.49 0.66 -0.07 -1.34 3.38 -1.97 1.26 115.31 125.73 1s2h h LEU 59 Ca -0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1s2h h LEU 59 Cb 1.14 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1s2h h LEU 59 CO 0.76 0.90 -0.07 -0.33 0.09 0.00 0.00 178.44 179.79 1s2h h GLU 60 N 0.56 0.17 -0.28 1.13 4.39 -1.97 0.70 114.58 119.27 1s2h h GLU 60 Ca 0.07 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1s2h h GLU 60 Cb 0.76 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1s2h h GLU 60 CO 0.06 0.62 -0.04 1.25 -1.16 0.00 0.00 179.01 179.74 1s2h h LEU 61 N -0.28 0.52 -1.36 1.33 5.85 -1.94 0.46 115.31 119.89 1s2h h LEU 61 Ca 0.01 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.45 1s2h h LEU 61 Cb 0.59 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1s2h h LEU 61 CO 0.02 0.74 0.48 0.40 -0.34 0.00 0.00 178.44 179.74 1s2h h ILE 62 N 0.30 1.04 0.00 4.05 2.04 0.16 0.40 117.51 125.49 1s2h h ILE 62 Ca 0.08 -0.27 -0.14 0.00 1.00 0.00 0.00 64.86 65.53 1s2h h ILE 62 Cb 0.50 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1s2h h ILE 62 CO 0.02 0.14 -0.65 0.11 0.00 0.00 0.00 178.15 177.78 1s2h h LYS 63 N 0.79 0.00 -0.10 2.37 1.79 -0.35 0.47 116.57 121.54 1s2h h LYS 63 Ca 0.31 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.75 1s2h h LYS 63 Cb 0.23 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1s2h h LYS 63 CO -0.10 0.65 -0.08 -0.92 -1.08 0.00 0.00 179.45 177.92 1s2h h TYR 64 N 0.00 0.27 0.00 -1.35 3.20 0.34 -2.73 116.97 116.70 1s2h h TYR 64 Ca -0.01 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.67 1s2h h TYR 64 Cb 1.26 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 1s2h h TYR 64 CO 0.00 0.63 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.50 1s2h h LEU 65 N -0.17 0.00 0.40 2.82 3.38 -0.38 -2.69 115.31 118.67 1s2h h LEU 65 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1s2h h LEU 65 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1s2h h LEU 65 CO 0.02 0.58 -0.19 0.78 0.09 0.00 0.00 178.44 179.72 1s2h h ASN 66 N 0.00 -0.45 -0.59 -0.43 2.35 0.00 1.29 115.58 117.76 1s2h h ASN 66 Ca -0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1s2h h ASN 66 Cb 1.32 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.78 1s2h h ASN 66 CO 0.08 -0.31 0.10 -1.13 -1.65 0.00 0.00 177.43 174.52 1s2h h ASN 67 N -0.56 0.95 -0.46 5.81 -0.73 -1.56 0.78 115.58 119.81 1s2h h ASN 67 Ca -0.05 -0.21 -0.09 0.00 1.87 0.00 0.00 56.30 57.82 1s2h h ASN 67 Cb 0.42 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 1s2h h ASN 67 CO 0.09 0.95 -0.06 0.58 -0.37 0.00 0.00 177.43 178.62 1s2h h VAL 68 N 0.94 1.27 -0.38 2.57 2.07 -1.17 -0.81 116.25 120.74 1s2h h VAL 68 Ca 0.19 -1.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 1s2h h VAL 68 Cb 0.40 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1s2h h VAL 68 CO 0.01 0.39 -0.14 0.58 0.02 0.00 0.00 177.57 178.43 1s2h h VAL 69 N 0.68 1.28 -0.19 2.57 2.07 0.19 0.97 116.25 123.83 1s2h h VAL 69 Ca 0.12 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1s2h h VAL 69 Cb 0.58 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1s2h h VAL 69 CO 0.03 0.42 0.12 -0.08 0.02 0.00 0.00 177.57 178.08 1s2h h GLU 70 N 0.57 0.24 -0.30 1.57 4.57 -0.76 -2.23 114.58 118.24 1s2h h GLU 70 Ca 0.09 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.09 1s2h h GLU 70 Cb 0.68 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1s2h h GLU 70 CO 0.05 0.16 -0.48 0.37 -1.18 0.00 0.00 179.01 177.93 1s2h h GLN 71 N 0.25 0.86 -1.08 1.92 4.15 -1.06 -2.75 115.11 117.40 1s2h h GLN 71 Ca 0.07 -0.52 0.30 0.00 0.77 0.00 0.00 58.65 59.27 1s2h h GLN 71 Cb -0.02 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.66 1s2h h GLN 71 CO -0.02 1.16 0.75 -0.07 -1.93 0.00 0.00 178.83 178.72 1s2h h LEU 72 N 0.64 0.14 0.16 -2.39 4.07 0.13 4.47 115.31 122.53 1s2h h LEU 72 Ca 0.03 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1s2h h LEU 72 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1s2h h LEU 72 CO 0.11 0.03 -0.08 0.11 -1.08 0.00 0.00 178.44 177.53 1s2h h LYS 73 N 0.12 -0.20 0.12 1.13 1.57 -1.13 0.63 116.57 118.82 1s2h h LYS 73 Ca 0.54 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.33 1s2h h LYS 73 Cb 1.91 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.27 1s2h h LYS 73 CO -0.10 0.21 -0.06 0.22 -0.57 0.00 0.00 179.45 179.16 1s2h h ASP 74 N -0.90 -0.14 0.52 0.86 3.58 -0.66 -1.16 116.42 118.53 1s2h h ASP 74 Ca -0.02 -0.42 -0.03 0.00 0.42 0.00 0.00 57.03 56.98 1s2h h ASP 74 Cb 0.51 0.04 0.01 0.00 1.72 0.00 0.00 39.33 41.60 1s2h h ASP 74 CO 0.04 0.46 -0.25 -0.25 -2.88 0.00 0.00 179.24 176.36 1s2h h TRP 75 N -0.86 -0.65 0.11 0.28 7.01 0.85 -3.00 115.95 119.68 1s2h h TRP 75 Ca -0.02 -0.02 -0.18 0.00 2.11 0.00 0.00 58.89 60.79 1s2h h TRP 75 Cb 0.55 0.22 0.01 0.00 -2.10 0.00 0.00 29.16 27.83 1s2h h TRP 75 CO 0.10 -0.33 -0.83 -0.07 -2.79 0.00 0.00 178.44 174.53 1s2h h LEU 76 N -0.93 0.36 -0.89 0.65 3.38 -0.59 -3.34 115.31 113.95 1s2h h LEU 76 Ca -0.07 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.98 1s2h h LEU 76 Cb 0.61 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1s2h h LEU 76 CO 0.12 1.38 0.00 0.00 0.09 0.00 0.00 178.44 180.03 1s2h n TYR 77 N -4.17 0.79 0.15 1.13 9.36 0.20 -1.54 117.16 123.08 1s2h n TYR 77 Ca -0.16 0.34 0.01 0.00 3.32 0.00 0.00 57.90 61.40 1s2h n TYR 77 Cb 0.78 -1.04 0.18 0.00 -0.63 0.00 0.00 39.34 38.63 1s2h n TYR 77 CO 0.00 0.00 0.00 1.57 0.22 0.00 0.00 176.86 178.65 1s2h h LYS 78 N 0.00 0.00 0.00 2.98 5.09 -1.51 -3.33 116.57 119.80 1s2h h LYS 78 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 60.65 60.46 1s2h h LYS 78 Cb 0.27 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.56 1s2h h LYS 78 CO 0.00 0.57 -1.62 0.00 -2.09 0.00 0.00 179.45 176.31 1s2h n SER 80 N -4.39 0.00 -1.13 0.00 3.41 -0.59 -4.85 113.62 106.07 1s2h n SER 80 Ca -0.37 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1s2h n SER 80 Cb 0.71 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1s2h n SER 80 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1s2h n VAL 81 N 0.00 -3.98 0.00 -3.33 0.31 -1.02 -3.52 118.33 106.79 1s2h n VAL 81 Ca 0.00 1.66 0.00 0.00 -0.01 0.00 0.00 64.34 65.99 1s2h n VAL 81 Cb 0.00 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 30.53 1s2h n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s2h n GLN 82 N -0.41 0.00 -4.36 5.55 1.13 0.77 -4.14 117.38 115.91 1s2h n GLN 82 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 1s2h n GLN 82 Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.24 1s2h n GLN 82 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1s2h s LYS 83 N -0.17 1.73 -0.02 -1.09 1.02 -0.84 0.19 119.74 120.57 1s2h s LYS 83 Ca 0.00 -1.39 0.01 0.00 0.02 0.00 0.00 55.97 54.61 1s2h s LYS 83 Cb 0.00 -1.99 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1s2h s LYS 83 CO 0.00 0.42 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.66 1s2h s LEU 84 N -2.63 1.62 -0.14 3.17 0.20 -0.04 0.10 118.68 120.96 1s2h s LEU 84 Ca 0.22 -0.05 -0.02 0.00 0.69 0.00 0.00 54.13 54.96 1s2h s LEU 84 Cb -0.09 -0.21 0.04 0.00 -0.43 0.00 0.00 46.19 45.50 1s2h s LEU 84 CO 0.12 -0.02 0.02 -0.69 -0.29 0.00 0.00 176.35 175.48 1s2h s VAL 85 N 0.44 0.47 -0.37 1.68 1.01 -1.00 -0.92 120.40 121.71 1s2h s VAL 85 Ca -0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 1s2h s VAL 85 Cb -0.07 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1s2h s VAL 85 CO -0.01 0.01 0.23 -0.69 0.00 0.00 0.00 175.10 174.64 1s2h s VAL 86 N 1.91 4.85 -0.36 2.92 1.01 0.30 -0.34 120.40 130.68 1s2h s VAL 86 Ca 0.02 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1s2h s VAL 86 Cb -0.15 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1s2h s VAL 86 CO -0.07 -0.18 0.18 -0.69 0.00 0.00 0.00 175.10 174.34 1s2h s VAL 87 N 1.62 4.42 -0.31 2.92 1.01 0.23 0.16 120.40 130.45 1s2h s VAL 87 Ca 0.04 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 1s2h s VAL 87 Cb -0.19 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1s2h s VAL 87 CO 0.08 -0.18 0.32 -0.63 0.00 0.00 0.00 175.10 174.68 1s2h s ILE 88 N 1.53 5.21 0.06 2.22 1.09 0.32 -1.12 121.20 130.51 1s2h s ILE 88 Ca 0.02 0.20 0.09 0.00 -1.10 0.00 0.00 60.65 59.86 1s2h s ILE 88 Cb -0.19 -3.71 -0.03 0.00 -1.06 0.00 0.00 42.46 37.47 1s2h s ILE 88 CO 0.06 0.06 -0.24 -0.94 -0.10 0.00 0.00 174.94 173.78 1s2h s SER 89 N 1.71 2.93 0.06 3.58 1.04 -0.97 -0.96 113.70 121.09 1s2h s SER 89 Ca 0.11 -0.60 -0.30 0.00 0.48 0.00 0.00 55.95 55.64 1s2h s SER 89 Cb -0.16 -0.24 -0.08 0.00 0.10 0.00 0.00 66.02 65.63 1s2h s SER 89 CO 0.11 0.20 1.74 0.21 0.98 0.00 0.00 173.24 176.49 1s2h s ASN 90 N -1.39 6.55 0.23 7.02 2.47 0.30 0.80 114.94 130.92 1s2h s ASN 90 Ca 0.10 2.54 0.12 0.00 0.42 0.00 0.00 52.86 56.04 1s2h s ASN 90 Cb -0.10 -2.55 0.08 0.00 -1.45 0.00 0.00 41.25 37.23 1s2h s ASN 90 CO 0.03 -0.95 1.44 -0.29 -3.72 0.00 0.00 177.10 173.61 1s2h h ILE 91 N 5.04 1.30 0.00 -5.21 2.10 -1.77 0.88 117.51 119.85 1s2h h ILE 91 Ca -0.44 -2.60 -0.12 0.00 1.08 0.00 0.00 64.86 62.77 1s2h h ILE 91 Cb 1.21 2.49 -0.02 0.00 -1.09 0.00 0.00 36.82 39.41 1s2h h ILE 91 CO 0.94 0.69 -0.58 -0.08 -1.08 0.00 0.00 178.15 178.04 1s2h h GLU 92 N 0.00 0.00 0.00 2.19 4.81 -1.90 -3.31 114.58 116.37 1s2h h GLU 92 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1s2h h GLU 92 Cb 1.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.81 1s2h h GLU 92 CO 0.09 0.58 -1.18 0.45 -0.73 0.00 0.00 179.01 178.22 1s2h n SER 93 N -3.34 2.05 -2.44 1.04 2.88 -1.22 -5.02 113.62 107.58 1s2h n SER 93 Ca 0.01 -0.21 -0.16 0.00 -1.33 0.00 0.00 58.87 57.19 1s2h n SER 93 Cb 0.72 1.33 0.05 0.00 -0.75 0.00 0.00 64.21 65.56 1s2h n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s2h n GLY 94 N 1.73 -0.05 2.97 0.46 0.00 0.30 -5.02 105.19 105.58 1s2h n GLY 94 Ca -0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1s2h n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s2h s GLU 95 N -5.75 0.30 0.28 1.61 2.12 -0.92 -4.94 118.70 111.40 1s2h s GLU 95 Ca 0.35 -0.46 -0.29 0.00 0.36 0.00 0.00 54.97 54.92 1s2h s GLU 95 Cb -0.15 -0.06 -0.10 0.00 0.26 0.00 0.00 34.13 34.08 1s2h s GLU 95 CO 0.43 -0.00 1.39 0.08 -0.54 0.00 0.00 175.26 176.62 1s2h s VAL 96 N -0.98 2.68 0.00 3.70 1.01 -1.26 0.11 120.40 125.65 1s2h s VAL 96 Ca -0.09 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1s2h s VAL 96 Cb -0.07 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1s2h s VAL 96 CO -0.00 0.12 0.00 -0.11 0.00 0.00 0.00 175.10 175.10 1s2h n LEU 97 N 1.69 1.93 -3.72 3.92 7.94 -0.84 -4.78 117.00 123.14 1s2h n LEU 97 Ca 0.04 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.78 1s2h n LEU 97 Cb 0.41 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.20 1s2h n LEU 97 CO 0.60 0.30 -0.30 -0.70 -1.11 0.00 0.00 177.39 176.18 1s2h s GLU 98 N -1.86 -0.01 -0.15 1.96 2.12 -0.13 -2.49 118.70 118.13 1s2h s GLU 98 Ca 0.00 0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.69 1s2h s GLU 98 Cb 0.00 -0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.09 1s2h s GLU 98 CO 0.00 -0.23 -0.21 -0.98 -0.54 0.00 0.00 175.26 173.30 1s2h s ARG 99 N 1.58 2.95 -0.26 4.30 1.04 -0.99 0.12 118.95 127.68 1s2h s ARG 99 Ca -0.03 -0.82 -0.05 0.00 -1.04 0.00 0.00 55.73 53.79 1s2h s ARG 99 Cb -0.12 -2.44 0.01 0.00 -2.04 0.00 0.00 34.95 30.35 1s2h s ARG 99 CO -0.04 -0.09 0.01 -1.58 -0.04 0.00 0.00 175.30 173.56 1s2h s TRP 100 N 1.00 3.08 -0.23 5.89 0.52 0.41 -1.89 118.94 127.73 1s2h s TRP 100 Ca -0.03 -1.12 -0.02 0.00 0.02 0.00 0.00 56.10 54.95 1s2h s TRP 100 Cb -0.15 -2.16 0.01 0.00 -1.15 0.00 0.00 33.47 30.02 1s2h s TRP 100 CO -0.06 -0.61 -0.07 1.14 0.02 0.00 0.00 176.95 177.38 1s2h s GLN 101 N 1.45 3.10 0.02 4.98 -2.07 -0.06 0.11 119.66 127.19 1s2h s GLN 101 Ca 0.03 -0.80 0.06 0.00 -1.82 0.00 0.00 55.36 52.82 1s2h s GLN 101 Cb -0.16 -2.95 -0.02 0.00 -1.09 0.00 0.00 33.01 28.78 1s2h s GLN 101 CO -0.01 -0.29 -0.17 -0.59 -1.32 0.00 0.00 175.29 172.91 1s2h s PHE 102 N 1.39 1.54 -0.12 9.60 -0.71 -0.09 -0.83 117.98 128.76 1s2h s PHE 102 Ca 0.03 -0.33 -0.08 0.00 -1.04 0.00 0.00 56.93 55.51 1s2h s PHE 102 Cb -0.15 -0.94 -0.04 0.00 -1.21 0.00 0.00 43.02 40.68 1s2h s PHE 102 CO -0.05 0.03 0.17 0.34 -1.34 0.00 0.00 175.22 174.37 1s2h s ASP 103 N -0.88 6.41 -0.20 1.98 -1.08 0.98 -0.86 116.67 123.02 1s2h s ASP 103 Ca 0.05 0.49 0.00 0.00 -0.52 0.00 0.00 52.55 52.58 1s2h s ASP 103 Cb -0.08 -2.09 0.05 0.00 -1.46 0.00 0.00 42.92 39.34 1s2h s ASP 103 CO 0.01 0.37 -0.05 -0.63 0.52 0.00 0.00 175.17 175.39 1s2h s ILE 104 N -0.87 1.33 -0.14 4.11 1.09 0.51 -0.55 121.20 126.68 1s2h s ILE 104 Ca 0.15 -0.93 0.02 0.00 -1.10 0.00 0.00 60.65 58.79 1s2h s ILE 104 Cb -0.12 -1.55 0.01 0.00 -1.06 0.00 0.00 42.46 39.74 1s2h s ILE 104 CO 0.04 0.01 -0.20 -0.70 -0.10 0.00 0.00 174.94 174.00 1s2h s GLU 105 N 1.51 2.79 0.04 2.79 -6.30 0.32 -1.57 118.70 118.29 1s2h s GLU 105 Ca -0.02 -0.77 0.01 0.00 -2.50 0.00 0.00 54.97 51.69 1s2h s GLU 105 Cb -0.17 -2.30 -0.03 0.00 0.00 0.00 0.00 34.13 31.63 1s2h s GLU 105 CO -0.07 -0.05 -0.06 0.00 0.02 0.00 0.00 175.26 175.09 1s2h s ASP 107 N -1.81 4.84 -0.04 0.00 -1.08 -0.60 -4.80 116.67 113.17 1s2h s ASP 107 Ca -0.08 -0.95 -0.02 0.00 -0.52 0.00 0.00 52.55 50.99 1s2h s ASP 107 Cb -0.07 -0.21 -0.27 0.00 -1.46 0.00 0.00 42.92 40.92 1s2h s ASP 107 CO -0.01 -0.82 0.68 0.11 0.52 0.00 0.00 175.17 175.65 1s2h h LYS 108 N 0.95 0.22 -1.26 4.34 1.57 -1.96 -3.46 116.57 116.97 1s2h h LYS 108 Ca -0.39 -0.37 0.36 0.00 -1.87 0.00 0.00 60.65 58.37 1s2h h LYS 108 Cb 1.28 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 33.60 1s2h h LYS 108 CO 0.58 1.04 0.91 0.95 -0.57 0.00 0.00 179.45 182.37 1s2h s THR 109 N -2.60 0.00 -0.83 -0.16 -4.23 -1.26 -3.84 115.64 102.73 1s2h s THR 109 Ca -0.12 -0.12 -0.20 0.00 -1.18 0.00 0.00 61.69 60.07 1s2h s THR 109 Cb 0.07 -2.03 0.10 0.00 1.34 0.00 0.00 72.50 71.98 1s2h s THR 109 CO 0.83 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 175.99 1s2h s ALA 110 N -2.22 3.23 0.31 3.99 0.00 -1.26 -4.86 121.76 120.95 1s2h s ALA 110 Ca 0.15 -2.38 0.02 0.00 0.00 0.00 0.00 51.96 49.75 1s2h s ALA 110 Cb 0.06 -4.00 0.52 0.00 0.00 0.00 0.00 23.12 19.70 1s2h s ALA 110 CO -0.05 -2.94 1.87 -0.22 0.00 0.00 0.00 175.76 174.42 1s2h h LYS 111 N 9.18 0.69 0.00 0.00 1.63 -1.98 -3.40 116.57 122.69 1s2h h LYS 111 Ca -0.01 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 59.59 1s2h h LYS 111 Cb 1.04 -0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 32.49 1s2h h LYS 111 CO 1.16 0.63 0.11 -3.47 -3.45 0.00 0.00 179.45 174.43 1s2h n ASP 112 N -4.30 -0.81 -3.51 4.20 -0.08 -1.26 -5.12 116.55 105.67 1s2h n ASP 112 Ca 0.03 -1.48 -0.23 0.00 -1.51 0.00 0.00 54.79 51.60 1s2h n ASP 112 Cb 0.21 0.68 -0.14 0.00 2.34 0.00 0.00 41.12 44.21 1s2h n ASP 112 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1s2h s ASP 113 N -0.18 2.41 0.60 1.67 1.11 -1.26 -5.14 116.67 115.87 1s2h s ASP 113 Ca 0.03 -0.81 -0.16 0.00 0.18 0.00 0.00 52.55 51.79 1s2h s ASP 113 Cb 0.07 0.03 -0.03 0.00 1.07 0.00 0.00 42.92 44.05 1s2h s ASP 113 CO -0.02 -0.39 1.07 -0.44 1.18 0.00 0.00 175.17 176.57 1s2h s SER 114 N 2.22 5.70 -0.02 0.27 0.01 -1.26 -4.86 113.70 115.76 1s2h s SER 114 Ca 0.07 1.86 -0.26 0.00 1.31 0.00 0.00 55.95 58.93 1s2h s SER 114 Cb -0.15 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 1s2h s SER 114 CO -0.25 -1.23 0.82 0.00 0.41 0.00 0.00 173.24 172.99 1s2h s ALA 115 N -2.39 3.27 0.53 1.44 0.00 -1.26 -4.94 121.76 118.40 1s2h s ALA 115 Ca 0.65 0.32 -0.21 0.00 0.00 0.00 0.00 51.96 52.72 1s2h s ALA 115 Cb -0.17 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 1s2h s ALA 115 CO 0.37 -0.12 0.92 -2.30 0.00 0.00 0.00 175.76 174.63 1s2h n PRO 116 N 3.63 1.03 -1.11 0.00 -0.02 -1.26 -4.72 135.00 132.55 1s2h n PRO 116 Ca 0.01 0.38 0.15 0.00 -2.02 0.00 0.00 63.50 62.03 1s2h n PRO 116 Cb 0.51 -2.06 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 1s2h n PRO 116 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1s2h n ARG 117 N -0.42 -2.23 0.16 -0.52 1.74 -1.26 -3.78 116.66 110.35 1s2h n ARG 117 Ca 0.12 1.47 0.03 0.00 -0.77 0.00 0.00 57.85 58.70 1s2h n ARG 117 Cb 0.44 -2.72 0.42 0.00 -1.02 0.00 0.00 32.46 29.58 1s2h n ARG 117 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1s2h h GLU 118 N 0.00 0.14 -2.93 5.56 9.09 -2.05 -3.42 114.58 120.97 1s2h h GLU 118 Ca 0.02 -0.03 -0.17 0.00 0.05 0.00 0.00 59.36 59.23 1s2h h GLU 118 Cb 1.01 -0.02 -0.28 0.00 -1.65 0.00 0.00 28.75 27.81 1s2h h GLU 118 CO 0.01 0.32 -0.42 0.21 0.05 0.00 0.00 179.01 179.17 1s2h s LYS 119 N -4.64 0.27 0.00 1.06 2.20 -1.25 -5.02 119.74 112.35 1s2h s LYS 119 Ca -0.05 0.58 0.29 0.00 -0.36 0.00 0.00 55.97 56.43 1s2h s LYS 119 Cb 0.15 -0.06 1.28 0.00 -1.51 0.00 0.00 37.83 37.69 1s2h s LYS 119 CO 0.72 -0.15 1.94 0.43 -0.36 0.00 0.00 175.35 177.94 1s2h n SER 120 N 4.08 0.01 0.27 1.43 7.64 -1.25 -3.57 113.62 122.23 1s2h n SER 120 Ca -0.23 0.39 0.18 0.00 1.01 0.00 0.00 58.87 60.21 1s2h n SER 120 Cb 0.54 -0.46 0.95 0.00 -1.01 0.00 0.00 64.21 64.24 1s2h n SER 120 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1s2h h GLN 121 N 0.00 0.00 0.27 1.43 4.20 -1.95 -2.76 115.11 116.30 1s2h h GLN 121 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1s2h h GLN 121 Cb 0.47 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 1s2h h GLN 121 CO 0.00 0.00 -0.36 -0.22 -0.67 0.00 0.00 178.83 177.58 1s2h h LYS 122 N 0.00 -0.66 -0.93 1.46 1.63 -1.97 -0.33 116.57 115.77 1s2h h LYS 122 Ca 0.00 0.04 0.25 0.00 -0.85 0.00 0.00 60.65 60.10 1s2h h LYS 122 Cb 0.01 0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 31.74 1s2h h LYS 122 CO 0.00 -0.44 0.65 0.00 -3.45 0.00 0.00 179.45 176.21 1s2h h ALA 123 N -0.18 2.67 0.20 5.00 0.00 -1.79 0.97 119.26 126.13 1s2h h ALA 123 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1s2h h ALA 123 Cb 0.65 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1s2h h ALA 123 CO -0.11 -0.95 -0.10 0.82 0.00 0.00 0.00 179.25 178.90 1s2h h ILE 124 N 0.13 0.86 -0.77 0.00 1.08 -1.19 -0.95 117.51 116.67 1s2h h ILE 124 Ca 0.46 -0.32 0.14 0.00 -0.39 0.00 0.00 64.86 64.75 1s2h h ILE 124 Cb 1.62 1.06 -0.10 0.00 -3.07 0.00 0.00 36.82 36.33 1s2h h ILE 124 CO -0.07 0.07 0.32 -0.61 -0.69 0.00 0.00 178.15 177.17 1s2h h GLN 125 N -0.43 0.45 -0.37 2.37 4.15 -0.02 0.95 115.11 122.21 1s2h h GLN 125 Ca -0.03 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 1s2h h GLN 125 Cb 0.33 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1s2h h GLN 125 CO 0.05 0.30 0.11 0.22 -1.93 0.00 0.00 178.83 177.57 1s2h h ASP 126 N 0.46 0.55 -0.02 -0.69 3.58 -1.23 0.50 116.42 119.57 1s2h h ASP 126 Ca 0.42 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1s2h h ASP 126 Cb 0.64 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 1s2h h ASP 126 CO -0.40 0.62 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.48 1s2h h GLU 127 N 0.45 0.05 0.00 0.28 4.57 0.23 0.15 114.58 120.31 1s2h h GLU 127 Ca 0.12 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1s2h h GLU 127 Cb 0.27 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1s2h h GLU 127 CO -0.00 0.48 -0.16 0.97 -1.18 0.00 0.00 179.01 179.12 1s2h h ILE 128 N -0.38 0.71 0.15 2.32 6.09 0.89 0.71 117.51 128.00 1s2h h ILE 128 Ca 0.00 -0.66 -0.29 0.00 -1.37 0.00 0.00 64.86 62.54 1s2h h ILE 128 Cb 0.47 1.40 0.02 0.00 0.47 0.00 0.00 36.82 39.19 1s2h h ILE 128 CO 0.00 0.16 -1.28 -0.09 -3.07 0.00 0.00 178.15 173.87 1s2h h ARG 129 N 0.00 0.48 0.01 2.19 2.43 0.18 -2.65 114.38 117.02 1s2h h ARG 129 Ca -0.00 -0.71 -0.20 0.00 -0.81 0.00 0.00 59.98 58.26 1s2h h ARG 129 Cb 0.39 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1s2h h ARG 129 CO 0.02 1.32 -0.91 1.03 -1.51 0.00 0.00 179.97 179.92 1s2h h SER 130 N 0.18 0.24 0.31 -3.80 0.87 -0.06 -2.24 113.55 109.05 1s2h h SER 130 Ca -0.18 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 1s2h h SER 130 Cb 1.97 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.85 1s2h h SER 130 CO 0.23 1.03 -0.15 0.58 -0.53 0.00 0.00 176.83 177.99 1s2h h VAL 131 N 0.09 0.65 -0.39 2.23 2.07 0.36 1.21 116.25 122.46 1s2h h VAL 131 Ca -0.05 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1s2h h VAL 131 Cb 1.56 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1s2h h VAL 131 CO 0.14 0.12 0.13 0.40 0.02 0.00 0.00 177.57 178.37 1s2h h ILE 132 N -0.81 1.16 0.19 4.57 2.04 -1.58 -2.13 117.51 120.95 1s2h h ILE 132 Ca -0.04 -0.55 -0.32 0.00 1.00 0.00 0.00 64.86 64.95 1s2h h ILE 132 Cb 0.52 0.73 0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1s2h h ILE 132 CO 0.07 0.20 -1.37 0.00 0.00 0.00 0.00 178.15 177.06 1s2h h ALA 133 N 1.59 -0.08 -0.36 1.87 0.00 -1.35 -2.86 119.26 118.06 1s2h h ALA 133 Ca 0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1s2h h ALA 133 Cb 0.16 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1s2h h ALA 133 CO -0.01 0.71 0.12 -0.56 0.00 0.00 0.00 179.25 179.50 1s2h h GLN 134 N 0.20 0.52 0.23 0.00 3.07 0.17 1.06 115.11 120.37 1s2h h GLN 134 Ca -0.22 -0.07 -0.01 0.00 0.09 0.00 0.00 58.65 58.43 1s2h h GLN 134 Cb 2.05 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 29.52 1s2h h GLN 134 CO 0.26 0.46 -0.11 0.82 0.09 0.00 0.00 178.83 180.34 1s2h h ILE 135 N 0.52 0.72 -0.44 1.86 2.04 -1.46 -2.55 117.51 118.20 1s2h h ILE 135 Ca 0.12 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 1s2h h ILE 135 Cb 0.15 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1s2h h ILE 135 CO -0.01 0.16 0.06 0.74 0.00 0.00 0.00 178.15 179.11 1s2h h THR 136 N -0.85 1.21 0.60 -0.27 2.02 -1.30 -1.88 112.91 112.43 1s2h h THR 136 Ca -0.03 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 1s2h h THR 136 Cb 0.51 0.81 0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1s2h h THR 136 CO 0.05 0.29 -0.29 0.00 0.37 0.00 0.00 175.52 175.94 1s2h h ALA 137 N 1.42 -0.80 -0.77 6.16 0.00 0.11 -2.41 119.26 122.97 1s2h h ALA 137 Ca 0.14 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1s2h h ALA 137 Cb 0.31 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1s2h h ALA 137 CO 0.00 -0.94 0.51 1.15 0.00 0.00 0.00 179.25 179.97 1s2h h THR 138 N -0.82 1.09 -0.61 0.00 2.02 -1.37 -1.57 112.91 111.64 1s2h h THR 138 Ca -0.08 -0.31 0.10 0.00 0.77 0.00 0.00 66.41 66.89 1s2h h THR 138 Cb 0.62 0.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.06 1s2h h THR 138 CO 0.13 0.16 0.21 0.58 0.37 0.00 0.00 175.52 176.98 1s2h h VAL 139 N 0.90 0.73 -0.65 3.16 2.07 -1.00 1.45 116.25 122.90 1s2h h VAL 139 Ca 0.32 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.75 1s2h h VAL 139 Cb 0.12 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1s2h h VAL 139 CO -0.10 0.07 0.43 0.71 0.02 0.00 0.00 177.57 178.70 1s2h h THR 140 N 0.37 1.08 0.00 2.57 1.35 -0.81 0.28 112.91 117.75 1s2h h THR 140 Ca 0.31 -0.26 -0.11 0.00 -0.55 0.00 0.00 66.41 65.80 1s2h h THR 140 Cb 0.42 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 67.07 1s2h h THR 140 CO -0.34 0.14 -0.53 0.15 -0.25 0.00 0.00 175.52 174.69 1s2h h PHE 141 N 0.76 0.00 -3.60 4.73 3.57 0.62 -3.44 116.94 119.58 1s2h h PHE 141 Ca 0.26 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 61.29 1s2h h PHE 141 Cb 0.10 0.00 0.05 0.00 2.79 0.00 0.00 35.95 38.89 1s2h h PHE 141 CO -0.00 0.53 0.15 -0.51 -2.23 0.00 0.00 178.31 176.25 1s2h s LEU 142 N -7.37 3.35 0.00 0.59 1.43 0.43 -5.09 118.68 112.03 1s2h s LEU 142 Ca -0.01 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1s2h s LEU 142 Cb 0.12 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1s2h s LEU 142 CO 0.73 -0.92 0.00 -0.81 0.23 0.00 0.00 176.35 175.58 1s2h n PRO 143 N -2.48 1.23 -3.57 1.29 -0.04 -1.26 -4.86 135.00 125.32 1s2h n PRO 143 Ca 0.03 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.26 1s2h n PRO 143 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1s2h n PRO 143 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1s2h s LEU 144 N 0.00 4.12 0.70 1.53 2.96 -1.26 -4.93 118.68 121.80 1s2h s LEU 144 Ca 0.00 0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 54.15 1s2h s LEU 144 Cb 0.00 -3.19 0.02 0.00 0.50 0.00 0.00 46.19 43.52 1s2h s LEU 144 CO 0.00 -0.20 1.08 -0.22 -1.32 0.00 0.00 176.35 175.68 1s2h s LEU 145 N -4.08 3.19 0.00 -0.68 2.96 -1.26 -4.94 118.68 113.86 1s2h s LEU 145 Ca 0.38 1.76 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 1s2h s LEU 145 Cb -0.10 -4.52 0.00 0.00 0.50 0.00 0.00 46.19 42.08 1s2h s LEU 145 CO 0.33 -1.62 0.00 1.21 -1.32 0.00 0.00 176.35 174.95 1s2h n GLU 146 N -3.01 0.00 -4.09 1.98 0.00 -1.26 -5.13 120.64 109.13 1s2h n GLU 146 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.90 1s2h n GLU 146 Cb 0.53 -0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.90 1s2h n GLU 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1s2h s VAL 147 N -1.00 4.92 -0.94 6.31 -7.23 -1.26 -5.04 120.40 116.15 1s2h s VAL 147 Ca 0.00 -0.17 -0.19 0.00 -1.81 0.00 0.00 61.98 59.81 1s2h s VAL 147 Cb 0.00 -3.18 0.13 0.00 0.56 0.00 0.00 36.38 33.88 1s2h s VAL 147 CO 0.00 0.48 1.16 -0.55 -0.31 0.00 0.00 175.10 175.88 1s2h s SER 148 N -1.36 6.63 0.73 4.85 0.15 -1.26 -4.92 113.70 118.52 1s2h s SER 148 Ca 0.19 -2.03 -0.11 0.00 0.70 0.00 0.00 55.95 54.70 1s2h s SER 148 Cb -0.12 -2.41 0.03 0.00 -1.71 0.00 0.00 66.02 61.81 1s2h s SER 148 CO 0.09 -1.09 1.10 0.00 1.20 0.00 0.00 173.24 174.54 1s2h s SER 150 N -4.25 5.87 -0.14 0.00 1.04 0.24 -4.74 113.70 111.71 1s2h s SER 150 Ca 0.59 -0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.80 1s2h s SER 150 Cb -0.12 -1.36 -0.03 0.00 0.10 0.00 0.00 66.02 64.61 1s2h s SER 150 CO 0.52 -0.27 -0.04 0.12 0.98 0.00 0.00 173.24 174.55 1s2h s PHE 151 N -2.15 3.01 -0.26 5.02 5.36 -1.26 -2.28 117.98 125.42 1s2h s PHE 151 Ca 0.40 -0.27 0.02 0.00 -0.96 0.00 0.00 56.93 56.12 1s2h s PHE 151 Cb -0.08 -1.93 0.07 0.00 -0.34 0.00 0.00 43.02 40.74 1s2h s PHE 151 CO 0.29 0.01 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.48 1s2h s ASP 152 N 0.21 4.28 -0.23 6.13 1.01 -0.28 -4.95 116.67 122.85 1s2h s ASP 152 Ca -0.03 -1.43 -0.08 0.00 0.71 0.00 0.00 52.55 51.73 1s2h s ASP 152 Cb -0.14 -1.42 -0.03 0.00 1.01 0.00 0.00 42.92 42.34 1s2h s ASP 152 CO 0.03 -0.24 0.08 -0.76 0.21 0.00 0.00 175.17 174.49 1s2h s LEU 153 N 1.19 3.62 -0.01 1.23 1.02 -1.26 0.75 118.68 125.22 1s2h s LEU 153 Ca -0.05 -0.09 0.03 0.00 0.02 0.00 0.00 54.13 54.04 1s2h s LEU 153 Cb -0.19 -1.95 -0.03 0.00 0.02 0.00 0.00 46.19 44.03 1s2h s LEU 153 CO -0.06 0.04 -0.07 -0.76 0.02 0.00 0.00 176.35 175.52 1s2h s LEU 154 N 1.20 3.18 -0.06 1.79 1.43 0.54 -4.95 118.68 121.80 1s2h s LEU 154 Ca 0.05 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1s2h s LEU 154 Cb -0.14 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1s2h s LEU 154 CO 0.04 0.29 -0.22 -0.63 0.23 0.00 0.00 176.35 176.06 1s2h s ILE 155 N -0.97 1.85 -0.04 -0.59 -1.09 -1.26 -2.39 121.20 116.71 1s2h s ILE 155 Ca 0.16 -0.94 0.03 0.00 -2.23 0.00 0.00 60.65 57.68 1s2h s ILE 155 Cb -0.11 -1.58 0.00 0.00 -1.58 0.00 0.00 42.46 39.19 1s2h s ILE 155 CO 0.07 0.52 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.85 1s2h s TYR 156 N 0.01 1.38 0.28 3.97 2.02 0.29 -4.95 117.35 120.35 1s2h s TYR 156 Ca -0.07 -0.38 0.07 0.00 -0.37 0.00 0.00 57.07 56.32 1s2h s TYR 156 Cb -0.14 -0.95 -0.06 0.00 -0.40 0.00 0.00 41.96 40.41 1s2h s TYR 156 CO 0.04 -0.14 -0.07 0.95 -1.57 0.00 0.00 175.55 174.76 1s2h s THR 157 N 0.13 1.69 0.29 -0.71 -4.23 -1.26 -0.17 115.64 111.38 1s2h s THR 157 Ca -0.04 -2.14 -0.05 0.00 -1.18 0.00 0.00 61.69 58.28 1s2h s THR 157 Cb -0.10 -2.44 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 1s2h s THR 157 CO 0.01 -0.31 0.56 1.51 -0.54 0.00 0.00 174.62 175.85 1s2h s ASP 158 N -3.45 6.45 0.09 3.99 1.47 -1.26 -4.90 116.67 119.06 1s2h s ASP 158 Ca 0.29 0.73 0.02 0.00 1.18 0.00 0.00 52.55 54.77 1s2h s ASP 158 Cb 0.03 -2.15 -0.04 0.00 -0.34 0.00 0.00 42.92 40.43 1s2h s ASP 158 CO 0.12 -0.19 -0.07 -0.54 0.68 0.00 0.00 175.17 175.16 1s2h s LYS 159 N -3.53 0.79 0.05 2.11 1.02 -1.26 -4.95 119.74 113.97 1s2h s LYS 159 Ca 0.44 -1.22 -0.27 0.00 0.02 0.00 0.00 55.97 54.94 1s2h s LYS 159 Cb -0.11 -0.28 -0.15 0.00 -0.52 0.00 0.00 37.83 36.77 1s2h s LYS 159 CO 0.30 0.01 1.41 0.22 -0.92 0.00 0.00 175.35 176.37 1s2h h ASP 160 N 3.30 -0.87 0.00 2.83 1.82 -2.02 -3.48 116.42 118.00 1s2h h ASP 160 Ca -0.36 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 1s2h h ASP 160 Cb 1.18 0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.42 1s2h h ASP 160 CO 0.59 -0.59 0.00 -0.11 -1.61 0.00 0.00 179.24 177.52 1s2h n LEU 161 N -4.67 0.00 -3.81 2.28 0.00 -1.26 -5.03 117.00 104.51 1s2h n LEU 161 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.60 1s2h n LEU 161 Cb 0.38 0.16 -0.04 0.00 0.00 0.00 0.00 43.42 43.93 1s2h n LEU 161 CO 0.28 -0.16 -0.07 0.52 0.00 0.00 0.00 177.39 177.96 1s2h n VAL 162 N -1.45 -0.47 -1.29 1.96 0.31 -1.26 -4.26 118.33 111.87 1s2h n VAL 162 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1s2h n VAL 162 Cb 0.00 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 1s2h n VAL 162 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1s2h n VAL 163 N -3.82 -4.41 -1.94 2.52 0.31 -1.26 -4.84 118.33 104.89 1s2h n VAL 163 Ca 0.06 1.90 -0.42 0.00 -0.01 0.00 0.00 64.34 65.87 1s2h n VAL 163 Cb 0.49 -2.66 -0.03 0.00 -0.91 0.00 0.00 33.84 30.73 1s2h n VAL 163 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1s2h s PRO 164 N -3.67 4.22 -0.06 5.55 0.04 -1.26 -4.91 135.00 134.91 1s2h s PRO 164 Ca 0.00 2.36 0.01 0.00 0.04 0.00 0.00 61.00 63.42 1s2h s PRO 164 Cb 0.00 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 1s2h s PRO 164 CO 0.00 -0.59 -0.04 0.39 0.04 0.00 0.00 177.00 176.80 1s2h n GLU 165 N 3.77 0.73 -1.65 4.56 1.02 -1.26 -5.13 120.64 122.67 1s2h n GLU 165 Ca 0.13 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1s2h n GLU 165 Cb 0.39 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1s2h n GLU 165 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1s2h n LYS 166 N -2.59 -4.58 -4.73 3.49 4.01 -1.26 -4.94 118.16 107.56 1s2h n LYS 166 Ca -0.11 3.30 -0.25 0.00 -0.51 0.00 0.00 58.31 60.75 1s2h n LYS 166 Cb 0.63 -3.62 -0.16 0.00 -0.51 0.00 0.00 35.03 31.37 1s2h n LYS 166 CO 0.00 0.00 0.00 1.67 -1.11 0.00 0.00 177.40 177.96 1s2h s TRP 167 N -1.69 1.53 -1.32 2.13 -2.14 -1.26 -4.73 118.94 111.46 1s2h s TRP 167 Ca 0.00 -0.42 0.00 0.00 2.66 0.00 0.00 56.10 58.34 1s2h s TRP 167 Cb 0.00 -1.03 0.00 0.00 -3.10 0.00 0.00 33.47 29.34 1s2h s TRP 167 CO 0.00 -0.14 0.00 0.39 -2.66 0.00 0.00 176.95 174.54 1s2h n GLU 168 N 3.15 -2.02 0.06 3.25 1.02 -1.26 -4.75 120.64 120.09 1s2h n GLU 168 Ca -0.18 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1s2h n GLU 168 Cb 0.53 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.59 1s2h n GLU 168 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1s2h n GLU 169 N -2.85 0.00 -1.89 3.49 1.02 -1.26 -4.99 120.64 114.16 1s2h n GLU 169 Ca -0.18 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.60 1s2h n GLU 169 Cb 0.63 -0.27 -0.03 0.00 -0.02 0.00 0.00 31.44 31.76 1s2h n GLU 169 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1s2h s SER 170 N -5.34 4.97 0.00 1.62 1.04 -1.26 -4.68 113.70 110.05 1s2h s SER 170 Ca 0.00 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1s2h s SER 170 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1s2h s SER 170 CO 0.00 -2.61 0.00 0.61 0.98 0.00 0.00 173.24 172.22 1s2h n GLY 171 N 5.92 2.69 0.22 7.32 0.00 -1.26 -5.03 105.19 115.05 1s2h n GLY 171 Ca 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 1s2h n GLY 171 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1s2h h PRO 172 N 0.00 0.10 -7.14 1.61 0.11 -2.03 -3.41 132.00 121.24 1s2h h PRO 172 Ca 0.00 -0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.59 1s2h h PRO 172 Cb 0.00 -0.02 0.10 0.00 0.11 0.00 0.00 31.00 31.19 1s2h h PRO 172 CO 0.00 0.07 0.41 -0.65 -0.21 0.00 0.00 178.00 177.62 1s2h s GLN 173 N -6.16 2.96 0.00 1.05 -0.21 -1.26 -4.93 119.66 111.10 1s2h s GLN 173 Ca -0.14 1.56 0.00 0.00 0.02 0.00 0.00 55.36 56.81 1s2h s GLN 173 Cb 0.18 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 32.23 1s2h s GLN 173 CO 0.73 -1.16 0.00 1.97 -2.12 0.00 0.00 175.29 174.72 1s2h n PHE 174 N -1.93 -0.78 0.00 0.91 -1.74 -1.26 -5.06 117.46 107.59 1s2h n PHE 174 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.01 1s2h n PHE 174 Cb 0.51 0.34 0.00 0.00 1.52 0.00 0.00 39.48 41.85 1s2h n PHE 174 CO 0.00 0.00 0.00 -0.89 -0.56 0.00 0.00 176.76 175.31 1s2h n ILE 175 N -2.18 0.00 0.00 1.97 5.41 -1.26 -5.11 119.36 118.19 1s2h n ILE 175 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1s2h n ILE 175 Cb 0.00 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 1s2h n ILE 175 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1s2h n THR 176 N -2.15 0.00 -2.71 1.39 5.66 -1.26 -4.97 114.28 110.24 1s2h n THR 176 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1s2h n THR 176 Cb 0.00 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 68.83 1s2h n THR 176 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1s2h n ASN 177 N 0.00 -2.30 -4.41 1.09 4.05 -1.26 -5.11 115.26 107.31 1s2h n ASN 177 Ca 0.00 -2.40 -0.23 0.00 0.45 0.00 0.00 54.58 52.40 1s2h n ASN 177 Cb 0.00 1.31 -0.10 0.00 1.23 0.00 0.00 39.78 42.22 1s2h n ASN 177 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1s2h s SER 178 N -0.35 2.62 -0.07 1.20 0.01 -1.26 0.66 113.70 116.50 1s2h s SER 178 Ca 0.28 -1.45 0.05 0.00 1.31 0.00 0.00 55.95 56.14 1s2h s SER 178 Cb 0.16 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.44 1s2h s SER 178 CO -0.14 -0.68 -0.24 -0.70 0.41 0.00 0.00 173.24 171.89 1s2h s GLU 179 N -3.85 2.74 -0.24 12.44 2.56 0.93 -4.74 118.70 128.55 1s2h s GLU 179 Ca 0.32 -0.88 -0.08 0.00 0.00 0.00 0.00 54.97 54.33 1s2h s GLU 179 Cb 0.07 -2.23 -0.04 0.00 2.00 0.00 0.00 34.13 33.93 1s2h s GLU 179 CO 0.15 0.32 0.10 -2.00 -0.56 0.00 0.00 175.26 173.27 1s2h s GLU 180 N -0.00 3.83 -0.01 4.30 -6.30 -1.26 -1.82 118.70 117.43 1s2h s GLU 180 Ca -0.08 -0.40 0.03 0.00 -2.50 0.00 0.00 54.97 52.03 1s2h s GLU 180 Cb -0.15 -3.38 -0.01 0.00 0.00 0.00 0.00 34.13 30.59 1s2h s GLU 180 CO 0.05 -0.05 -0.11 0.08 0.02 0.00 0.00 175.26 175.26 1s2h s VAL 181 N 1.28 0.87 0.04 3.70 1.01 -0.87 -5.01 120.40 121.42 1s2h s VAL 181 Ca 0.06 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 1s2h s VAL 181 Cb -0.15 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 1s2h s VAL 181 CO 0.05 0.25 0.82 -0.13 0.00 0.00 0.00 175.10 176.08 1s2h s ARG 182 N -0.23 4.54 -0.14 2.72 0.52 -1.26 -2.48 118.95 122.62 1s2h s ARG 182 Ca 0.04 1.16 -0.12 0.00 -0.52 0.00 0.00 55.73 56.28 1s2h s ARG 182 Cb -0.05 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 1s2h s ARG 182 CO -0.00 0.21 -0.24 1.28 0.02 0.00 0.00 175.30 176.56 1s2h n LEU 183 N 3.04 1.67 -3.61 2.53 4.77 -0.95 -4.97 117.00 119.48 1s2h n LEU 183 Ca -0.00 0.44 -0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1s2h n LEU 183 Cb 0.50 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1s2h n LEU 183 CO 0.48 -0.38 1.04 -0.13 -1.33 0.00 0.00 177.39 177.07 1s2h s ARG 184 N -2.42 0.38 -0.13 3.23 0.52 -1.04 -5.05 118.95 114.45 1s2h s ARG 184 Ca -0.20 -0.19 -0.13 0.00 -0.52 0.00 0.00 55.73 54.69 1s2h s ARG 184 Cb 0.03 0.14 0.04 0.00 0.52 0.00 0.00 34.95 35.67 1s2h s ARG 184 CO 0.29 -0.17 0.37 0.45 0.02 0.00 0.00 175.30 176.26 1s2h s SER 185 N -2.74 -0.37 -0.05 0.23 0.15 -1.26 0.24 113.70 109.89 1s2h s SER 185 Ca 0.13 0.69 0.04 0.00 0.70 0.00 0.00 55.95 57.51 1s2h s SER 185 Cb 0.03 0.72 -0.00 0.00 -1.71 0.00 0.00 66.02 65.06 1s2h s SER 185 CO -0.04 -0.15 -0.18 0.72 1.20 0.00 0.00 173.24 174.78 1s2h s PHE 186 N 0.08 1.85 -0.13 3.44 -0.71 0.14 -4.99 117.98 117.66 1s2h s PHE 186 Ca -0.01 -0.56 0.01 0.00 -1.04 0.00 0.00 56.93 55.33 1s2h s PHE 186 Cb -0.03 -1.25 0.02 0.00 -1.21 0.00 0.00 43.02 40.56 1s2h s PHE 186 CO 0.01 -0.20 -0.14 0.99 -1.34 0.00 0.00 175.22 174.54 1s2h s THR 187 N 0.08 1.49 0.15 -4.49 2.01 -1.26 0.35 115.64 113.98 1s2h s THR 187 Ca -0.06 -0.61 0.11 0.00 0.31 0.00 0.00 61.69 61.44 1s2h s THR 187 Cb -0.13 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1s2h s THR 187 CO 0.03 0.44 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.27 1s2h s THR 188 N 1.25 2.40 0.51 -0.82 2.01 0.39 -4.95 115.64 116.42 1s2h s THR 188 Ca -0.01 -1.81 0.37 0.00 0.31 0.00 0.00 61.69 60.54 1s2h s THR 188 Cb -0.14 -2.10 0.37 0.00 0.01 0.00 0.00 72.50 70.64 1s2h s THR 188 CO -0.06 0.02 2.12 0.74 -0.69 0.00 0.00 174.62 176.75 1s2h h THR 189 N 3.57 0.00 0.00 -0.82 2.02 -1.95 -1.46 112.91 114.27 1s2h h THR 189 Ca -0.49 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1s2h h THR 189 Cb 1.18 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1s2h h THR 189 CO 0.43 0.00 -1.69 -0.38 0.37 0.00 0.00 175.52 174.25 1s2h n ILE 190 N -2.87 0.09 -3.57 3.11 2.08 -1.26 -4.96 119.36 111.98 1s2h n ILE 190 Ca -0.02 -0.36 -0.09 0.00 0.56 0.00 0.00 62.75 62.84 1s2h n ILE 190 Cb 0.15 0.09 -0.04 0.00 -0.75 0.00 0.00 39.64 39.09 1s2h n ILE 190 CO 0.00 0.00 0.00 -1.38 0.56 0.00 0.00 176.55 175.73 1s2h s HIS 191 N -2.95 -0.33 -0.03 1.39 -3.43 -0.55 -1.56 115.29 107.82 1s2h s HIS 191 Ca -0.05 0.47 0.01 0.00 -0.80 0.00 0.00 55.06 54.69 1s2h s HIS 191 Cb 0.09 0.48 0.02 0.00 -1.43 0.00 0.00 32.58 31.73 1s2h s HIS 191 CO 0.60 -0.36 -0.03 0.21 -2.00 0.00 0.00 174.74 173.17 1s2h s LYS 192 N -1.65 0.53 -0.04 -0.38 2.20 0.20 0.15 119.74 120.74 1s2h s LYS 192 Ca 0.01 -0.04 0.06 0.00 -0.36 0.00 0.00 55.97 55.64 1s2h s LYS 192 Cb -0.01 -0.60 -0.01 0.00 -1.51 0.00 0.00 37.83 35.70 1s2h s LYS 192 CO -0.02 -0.07 -0.21 0.08 -0.36 0.00 0.00 175.35 174.77 1s2h s VAL 193 N 0.77 1.73 0.16 4.02 1.01 0.16 0.12 120.40 128.36 1s2h s VAL 193 Ca -0.09 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.08 1s2h s VAL 193 Cb -0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1s2h s VAL 193 CO -0.01 0.49 -0.15 0.21 0.00 0.00 0.00 175.10 175.64 1s2h s ASN 194 N -0.21 3.99 -0.07 3.32 2.47 0.29 0.28 114.94 125.00 1s2h s ASN 194 Ca 0.00 -0.62 -0.00 0.00 0.42 0.00 0.00 52.86 52.66 1s2h s ASN 194 Cb -0.11 -0.58 0.03 0.00 -1.45 0.00 0.00 41.25 39.13 1s2h s ASN 194 CO 0.02 0.13 -0.03 -0.94 -3.72 0.00 0.00 177.10 172.56 1s2h s SER 195 N -2.56 1.53 -0.10 -4.21 1.04 0.14 -0.01 113.70 109.53 1s2h s SER 195 Ca 0.22 -0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.42 1s2h s SER 195 Cb -0.09 -0.53 0.03 0.00 0.10 0.00 0.00 66.02 65.52 1s2h s SER 195 CO 0.12 -0.13 0.26 -0.32 0.98 0.00 0.00 173.24 174.15 1s2h s MET 196 N 1.59 0.29 0.01 4.02 1.75 -0.01 -2.24 119.30 124.71 1s2h s MET 196 Ca -0.00 0.37 -0.01 0.00 -1.25 0.00 0.00 55.69 54.81 1s2h s MET 196 Cb -0.13 0.13 -0.01 0.00 2.84 0.00 0.00 34.83 37.65 1s2h s MET 196 CO -0.04 -0.05 -0.01 0.54 -0.65 0.00 0.00 175.02 174.81 1s2h s VAL 197 N 0.23 0.08 0.04 10.11 0.11 -1.03 -0.88 120.40 129.05 1s2h s VAL 197 Ca -0.01 -0.66 0.03 0.00 -2.93 0.00 0.00 61.98 58.41 1s2h s VAL 197 Cb -0.02 -0.21 -0.02 0.00 -1.53 0.00 0.00 36.38 34.59 1s2h s VAL 197 CO -0.00 -0.36 -0.11 0.00 -3.33 0.00 0.00 175.10 171.30 1s2h s ALA 198 N -1.08 0.84 0.04 1.54 0.00 -0.79 -2.04 121.76 120.27 1s2h s ALA 198 Ca -0.12 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1s2h s ALA 198 Cb -0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1s2h s ALA 198 CO -0.01 0.10 -0.05 1.52 0.00 0.00 0.00 175.76 177.32 1s2h s TYR 199 N -1.05 0.50 0.32 0.00 -0.85 -0.76 -2.36 117.35 113.15 1s2h s TYR 199 Ca -0.04 -0.59 -0.29 0.00 -0.52 0.00 0.00 57.07 55.63 1s2h s TYR 199 Cb -0.08 -0.32 -0.11 0.00 0.38 0.00 0.00 41.96 41.82 1s2h s TYR 199 CO 0.01 -0.16 1.56 1.17 -1.52 0.00 0.00 175.55 176.61 1s2h n LYS 200 N 1.29 2.68 -3.90 -3.49 4.81 -1.04 -0.05 118.16 118.46 1s2h n LYS 200 Ca -0.22 0.95 -0.34 0.00 -0.87 0.00 0.00 58.31 57.83 1s2h n LYS 200 Cb 0.56 -2.71 -0.13 0.00 0.02 0.00 0.00 35.03 32.76 1s2h n LYS 200 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1s2h s ILE 201 N -0.34 2.86 -0.85 3.15 -4.36 0.21 -4.80 121.20 117.07 1s2h s ILE 201 Ca 0.61 -1.83 -0.22 0.00 -0.26 0.00 0.00 60.65 58.94 1s2h s ILE 201 Cb -0.49 -2.85 -0.15 0.00 1.25 0.00 0.00 42.46 40.23 1s2h s ILE 201 CO 0.53 -0.39 1.92 -0.81 0.24 0.00 0.00 174.94 176.43 1s2h n PRO 202 N 4.52 1.52 -3.42 0.37 -0.04 -1.26 -4.50 135.00 132.19 1s2h n PRO 202 Ca -0.06 -1.97 -0.34 0.00 -0.04 0.00 0.00 63.50 61.09 1s2h n PRO 202 Cb 0.42 -3.08 0.03 0.00 -0.04 0.00 0.00 33.50 30.84 1s2h n PRO 202 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1s2h n VAL 203 N 6.37 -4.66 -4.21 0.52 3.14 -1.26 -4.98 118.33 113.25 1s2h n VAL 203 Ca 0.49 0.20 -0.25 0.00 -2.96 0.00 0.00 64.34 61.82 1s2h n VAL 203 Cb 0.42 -3.95 -0.07 0.00 -1.06 0.00 0.00 33.84 29.17 1s2h n VAL 203 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1s2h s ASN 204 N -1.57 4.83 0.00 6.55 0.01 -1.26 -5.30 114.94 118.20 1s2h s ASN 204 Ca 0.35 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 52.09 1s2h s ASN 204 Cb -0.04 -1.04 0.01 0.00 0.41 0.00 0.00 41.25 40.59 1s2h s ASN 204 CO 0.82 0.06 0.53 0.47 -1.51 0.00 0.00 177.10 177.48