#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9k s SER 2 N 0.00 6.38 -0.72 1.61 0.01 -1.26 -5.02 113.70 114.70 2e9k s SER 2 Ca 0.00 0.37 -0.27 0.00 1.31 0.00 0.00 55.95 57.36 2e9k s SER 2 Cb 0.00 -2.27 0.02 0.00 0.21 0.00 0.00 66.02 63.99 2e9k s SER 2 CO 0.00 -0.31 1.38 -0.44 0.41 0.00 0.00 173.24 174.29 2e9k s SER 3 N 1.61 6.01 0.00 2.44 0.01 -1.26 -3.88 113.70 118.63 2e9k s SER 3 Ca 0.20 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2e9k s SER 3 Cb -0.16 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2e9k s SER 3 CO 0.10 -1.93 0.00 0.61 0.41 0.00 0.00 173.24 172.43 2e9k n GLY 4 N 5.46 0.81 3.78 3.44 0.00 -1.26 -5.14 105.19 112.28 2e9k n GLY 4 Ca 0.07 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2e9k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9k s SER 5 N -0.14 5.74 -0.11 1.61 0.01 -1.25 -5.11 113.70 114.46 2e9k s SER 5 Ca 0.00 0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.44 2e9k s SER 5 Cb 0.00 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 2e9k s SER 5 CO 0.00 0.35 0.12 -0.44 0.41 0.00 0.00 173.24 173.68 2e9k s SER 6 N -1.25 6.19 0.00 2.44 0.01 -1.26 -4.96 113.70 114.87 2e9k s SER 6 Ca 0.17 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.84 2e9k s SER 6 Cb -0.12 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.15 2e9k s SER 6 CO 0.07 0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.73 2e9k n GLY 7 N 1.96 0.20 3.11 3.44 0.00 -1.26 -5.03 105.19 107.60 2e9k n GLY 7 Ca -0.19 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 2e9k n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e9k s ASP 8 N -4.00 -0.26 -0.29 1.61 2.15 -1.26 -5.12 116.67 109.49 2e9k s ASP 8 Ca 0.00 0.51 -0.29 0.00 0.43 0.00 0.00 52.55 53.20 2e9k s ASP 8 Cb 0.00 0.47 0.00 0.00 -0.30 0.00 0.00 42.92 43.10 2e9k s ASP 8 CO 0.00 -0.11 1.26 -0.63 -0.17 0.00 0.00 175.17 175.51 2e9k s ILE 9 N 0.50 4.22 -0.03 4.11 1.01 -1.26 -4.93 121.20 124.81 2e9k s ILE 9 Ca -0.03 1.39 -0.19 0.00 0.00 0.00 0.00 60.65 61.83 2e9k s ILE 9 Cb -0.04 -4.19 -0.11 0.00 0.01 0.00 0.00 42.46 38.12 2e9k s ILE 9 CO -0.03 -0.45 0.79 0.03 0.00 0.00 0.00 174.94 175.29 2e9k h ARG 10 N 8.97 -0.50 -0.29 2.79 3.08 -2.05 -3.16 114.38 123.22 2e9k h ARG 10 Ca -0.25 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2e9k h ARG 10 Cb 1.09 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2e9k h ARG 10 CO 1.03 -0.24 0.00 -0.35 -1.07 0.00 0.00 179.97 179.33 2e9k n PRO 11 N -5.13 0.49 0.27 0.04 -0.04 -1.26 -3.99 135.00 125.37 2e9k n PRO 11 Ca -0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.27 2e9k n PRO 11 Cb 0.25 -1.14 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 2e9k n PRO 11 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2e9k h SER 12 N 0.30 -0.66 -0.21 3.54 4.64 -1.96 -1.67 113.55 117.53 2e9k h SER 12 Ca 0.00 0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.41 2e9k h SER 12 Cb 0.14 0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 62.34 2e9k h SER 12 CO 0.00 -0.43 -0.33 0.07 -0.87 0.00 0.00 176.83 175.27 2e9k h LYS 13 N -0.71 -0.34 -0.62 4.77 2.10 -1.83 -2.05 116.57 117.89 2e9k h LYS 13 Ca -0.07 0.02 0.09 0.00 -2.00 0.00 0.00 60.65 58.70 2e9k h LYS 13 Cb 0.55 0.08 -0.11 0.00 -0.90 0.00 0.00 32.23 31.85 2e9k h LYS 13 CO 0.09 -0.23 -0.44 1.25 -2.00 0.00 0.00 179.45 178.12 2e9k h LEU 14 N -0.36 -1.54 -0.38 7.07 5.85 -1.82 -0.54 115.31 123.59 2e9k h LEU 14 Ca 0.12 0.25 0.08 0.00 0.84 0.00 0.00 57.88 59.17 2e9k h LEU 14 Cb 0.55 0.70 -0.09 0.00 0.37 0.00 0.00 40.66 42.19 2e9k h LEU 14 CO -0.41 -0.33 -0.22 0.25 -0.34 0.00 0.00 178.44 177.39 2e9k h LEU 15 N -0.21 -0.75 -0.89 2.25 5.85 -0.72 -2.38 115.31 118.46 2e9k h LEU 15 Ca 0.18 0.16 0.08 0.00 0.84 0.00 0.00 57.88 59.14 2e9k h LEU 15 Cb 0.56 0.39 -0.11 0.00 0.37 0.00 0.00 40.66 41.87 2e9k h LEU 15 CO -0.71 -0.25 -0.53 0.41 -0.34 0.00 0.00 178.44 177.02 2e9k n THR 16 N -5.39 -0.61 0.13 1.05 -1.04 -0.23 -0.15 114.28 108.04 2e9k n THR 16 Ca 0.02 2.28 -0.14 0.00 -2.04 0.00 0.00 64.05 64.17 2e9k n THR 16 Cb 0.30 -2.83 -0.08 0.00 -1.82 0.00 0.00 70.33 65.89 2e9k n THR 16 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 2e9k h TRP 17 N 0.00 -1.29 -0.94 -1.42 7.01 -1.21 0.31 115.95 118.41 2e9k h TRP 17 Ca 0.14 0.03 0.27 0.00 2.11 0.00 0.00 58.89 61.44 2e9k h TRP 17 Cb 0.37 0.54 -0.14 0.00 -2.10 0.00 0.00 29.16 27.82 2e9k h TRP 17 CO -1.00 -0.52 0.40 0.00 -2.79 0.00 0.00 178.44 174.53 2e9k h GLN 19 N 0.28 0.68 0.04 0.00 4.20 0.41 -0.72 115.11 120.00 2e9k h GLN 19 Ca 0.63 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 2e9k h GLN 19 Cb 1.35 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2e9k h GLN 19 CO -0.63 0.93 -0.02 1.96 -0.67 0.00 0.00 178.83 180.41 2e9k h GLN 20 N 0.43 -0.05 -0.18 1.46 1.08 0.32 0.59 115.11 118.75 2e9k h GLN 20 Ca 0.06 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2e9k h GLN 20 Cb 0.77 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 2e9k h GLN 20 CO 0.06 -0.03 0.05 1.96 -0.95 0.00 0.00 178.83 179.93 2e9k h GLN 21 N -0.07 0.29 -0.36 1.46 1.08 -0.83 -2.93 115.11 113.75 2e9k h GLN 21 Ca -0.01 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 2e9k h GLN 21 Cb 0.05 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 2e9k h GLN 21 CO 0.01 0.41 -0.02 1.79 -0.95 0.00 0.00 178.83 180.06 2e9k h THR 22 N 0.11 1.21 -0.98 -0.54 1.35 -1.02 -3.45 112.91 109.60 2e9k h THR 22 Ca 0.06 -0.88 -0.68 0.00 -0.55 0.00 0.00 66.41 64.36 2e9k h THR 22 Cb 0.24 0.96 0.09 0.00 -1.73 0.00 0.00 68.15 67.72 2e9k h THR 22 CO -0.00 0.30 -0.38 1.21 -0.25 0.00 0.00 175.52 176.40 2e9k n GLU 23 N -4.25 0.00 0.00 4.72 4.07 0.20 -1.77 120.64 123.61 2e9k n GLU 23 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 2e9k n GLU 23 Cb 0.27 -1.09 0.00 0.00 -0.06 0.00 0.00 31.44 30.56 2e9k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2e9k n GLY 24 N 1.84 3.07 3.54 8.31 0.00 -1.26 -5.01 105.19 115.67 2e9k n GLY 24 Ca 0.18 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2e9k n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2e9k n TYR 25 N 0.00 0.43 -2.99 1.61 4.02 -0.73 -4.93 117.16 114.57 2e9k n TYR 25 Ca 0.00 0.59 -0.39 0.00 -0.01 0.00 0.00 57.90 58.08 2e9k n TYR 25 Cb 0.00 -2.12 -0.06 0.00 -0.02 0.00 0.00 39.34 37.14 2e9k n TYR 25 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2e9k s GLN 26 N -1.83 4.54 -1.79 -0.72 -2.07 -1.26 -3.66 119.66 112.86 2e9k s GLN 26 Ca 0.64 1.12 0.00 0.00 -1.82 0.00 0.00 55.36 55.30 2e9k s GLN 26 Cb -0.58 -3.29 0.00 0.00 -1.09 0.00 0.00 33.01 28.05 2e9k s GLN 26 CO 0.57 0.50 0.00 0.72 -1.32 0.00 0.00 175.29 175.76 2e9k n HIS 27 N 1.89 -0.58 -3.80 9.60 8.25 -1.26 -4.95 115.22 124.37 2e9k n HIS 27 Ca -0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.11 2e9k n HIS 27 Cb 0.49 -3.56 -0.14 0.00 1.12 0.00 0.00 29.99 27.90 2e9k n HIS 27 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2e9k s VAL 28 N -2.87 1.67 -0.81 1.59 1.01 -1.24 -5.04 120.40 114.70 2e9k s VAL 28 Ca 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 61.98 59.41 2e9k s VAL 28 Cb 0.00 -2.18 0.21 0.00 0.00 0.00 0.00 36.38 34.40 2e9k s VAL 28 CO 0.00 -0.81 0.69 0.21 0.00 0.00 0.00 175.10 175.19 2e9k s ASN 29 N 0.46 5.95 -0.52 3.32 2.47 -1.26 -4.77 114.94 120.59 2e9k s ASN 29 Ca 0.16 -3.28 -0.28 0.00 0.42 0.00 0.00 52.86 49.88 2e9k s ASN 29 Cb -0.23 -1.96 0.01 0.00 -1.45 0.00 0.00 41.25 37.62 2e9k s ASN 29 CO -0.04 -0.31 1.42 -0.69 -3.72 0.00 0.00 177.10 173.76 2e9k s VAL 30 N -0.70 3.82 -0.03 -5.21 1.01 -1.26 -4.76 120.40 113.27 2e9k s VAL 30 Ca 0.23 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.97 2e9k s VAL 30 Cb -0.12 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 2e9k s VAL 30 CO -0.08 -1.04 -0.01 0.35 0.00 0.00 0.00 175.10 174.32 2e9k n THR 31 N 6.94 0.19 -4.58 3.92 -2.24 -1.26 -4.85 114.28 112.40 2e9k n THR 31 Ca 0.14 -0.10 -0.26 0.00 -2.27 0.00 0.00 64.05 61.56 2e9k n THR 31 Cb 0.49 -0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 2e9k n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2e9k n ASP 32 N -2.30 2.77 -0.26 3.42 8.00 -1.26 -5.06 116.55 121.87 2e9k n ASP 32 Ca -0.05 -2.81 0.05 0.00 0.71 0.00 0.00 54.79 52.69 2e9k n ASP 32 Cb 0.58 0.40 0.10 0.00 -0.02 0.00 0.00 41.12 42.18 2e9k n ASP 32 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2e9k n LEU 33 N 0.00 2.52 0.03 0.64 4.77 -1.26 -4.31 117.00 119.39 2e9k n LEU 33 Ca -0.15 -2.44 -0.01 0.00 -0.03 0.00 0.00 56.01 53.38 2e9k n LEU 33 Cb 0.52 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2e9k n LEU 33 CO 0.28 0.62 -0.09 0.35 -1.33 0.00 0.00 177.39 177.23 2e9k n THR 34 N -0.57 1.16 -0.00 -5.08 -2.24 -1.26 -4.69 114.28 101.59 2e9k n THR 34 Ca 0.09 0.34 -0.17 0.00 -2.27 0.00 0.00 64.05 62.05 2e9k n THR 34 Cb 0.48 -1.64 -0.12 0.00 -2.10 0.00 0.00 70.33 66.94 2e9k n THR 34 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2e9k h THR 35 N -0.13 1.53 -1.10 4.28 1.35 -1.90 -3.14 112.91 113.80 2e9k h THR 35 Ca 0.00 -2.18 0.30 0.00 -0.55 0.00 0.00 66.41 63.99 2e9k h THR 35 Cb 0.13 2.90 -0.08 0.00 -1.73 0.00 0.00 68.15 69.36 2e9k h THR 35 CO 0.00 0.61 0.74 0.28 -0.25 0.00 0.00 175.52 176.90 2e9k h SER 36 N -0.41 0.30 -0.74 5.36 0.02 -1.89 0.47 113.55 116.65 2e9k h SER 36 Ca -0.07 0.06 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 2e9k h SER 36 Cb 1.26 0.02 -0.28 0.00 0.14 0.00 0.00 62.40 63.53 2e9k h SER 36 CO 0.09 0.04 0.09 0.79 -1.14 0.00 0.00 176.83 176.70 2e9k n TRP 37 N -4.50 2.47 0.07 3.45 7.02 -1.23 -4.06 117.44 120.65 2e9k n TRP 37 Ca 0.26 -2.28 -0.22 0.00 -1.02 0.00 0.00 57.50 54.25 2e9k n TRP 37 Cb 1.03 -0.81 -0.15 0.00 -2.42 0.00 0.00 31.31 28.96 2e9k n TRP 37 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 2e9k h ARG 38 N 1.67 0.36 0.13 -0.99 0.11 -0.01 -3.38 114.38 112.27 2e9k h ARG 38 Ca 0.43 -0.62 -0.33 0.00 0.10 0.00 0.00 59.98 59.56 2e9k h ARG 38 Cb 1.48 0.23 -0.01 0.00 1.11 0.00 0.00 29.97 32.78 2e9k h ARG 38 CO 0.96 1.27 -1.75 1.03 0.10 0.00 0.00 179.97 181.59 2e9k h SER 39 N 0.10 0.44 0.00 0.08 0.87 -1.81 -3.25 113.55 109.98 2e9k h SER 39 Ca -0.33 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.33 2e9k h SER 39 Cb 2.09 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.90 2e9k h SER 39 CO 0.17 1.76 0.00 0.61 -0.53 0.00 0.00 176.83 178.85 2e9k n GLY 40 N 1.86 2.67 0.31 5.77 0.00 -1.26 -2.86 105.19 111.68 2e9k n GLY 40 Ca -0.28 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2e9k n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2e9k n LEU 41 N 0.00 -0.49 -0.35 0.99 4.77 -1.26 -0.32 117.00 120.34 2e9k n LEU 41 Ca 0.00 1.40 -0.10 0.00 -0.03 0.00 0.00 56.01 57.28 2e9k n LEU 41 Cb 0.00 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.67 2e9k n LEU 41 CO 0.00 -1.27 0.48 0.00 -1.33 0.00 0.00 177.39 175.27 2e9k h ALA 42 N 1.18 -0.50 -0.21 -1.18 0.00 -1.95 0.53 119.26 117.13 2e9k h ALA 42 Ca 0.30 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2e9k h ALA 42 Cb 0.50 1.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 2e9k h ALA 42 CO -0.80 -0.85 0.04 1.25 0.00 0.00 0.00 179.25 178.88 2e9k h LEU 43 N -0.03 0.33 -1.59 0.00 5.85 -0.99 -2.75 115.31 116.14 2e9k h LEU 43 Ca 0.13 -0.25 0.24 0.00 0.84 0.00 0.00 57.88 58.85 2e9k h LEU 43 Cb 0.37 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 2e9k h LEU 43 CO -0.80 0.49 0.64 0.00 -0.34 0.00 0.00 178.44 178.44 2e9k h ALA 45 N 1.59 0.19 -0.10 0.00 0.00 0.30 -0.15 119.26 121.08 2e9k h ALA 45 Ca 0.50 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.39 2e9k h ALA 45 Cb 1.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2e9k h ALA 45 CO -0.17 -0.28 -0.04 0.82 0.00 0.00 0.00 179.25 179.58 2e9k h ILE 46 N 0.15 0.86 0.89 0.00 2.04 -1.05 0.64 117.51 121.04 2e9k h ILE 46 Ca 0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 2e9k h ILE 46 Cb 0.06 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2e9k h ILE 46 CO -0.01 0.00 -0.43 0.40 0.00 0.00 0.00 178.15 178.11 2e9k h ILE 47 N -0.03 0.12 -0.80 -0.67 2.04 -1.36 -2.93 117.51 113.88 2e9k h ILE 47 Ca 0.06 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.08 2e9k h ILE 47 Cb 0.11 0.12 -0.10 0.00 -0.74 0.00 0.00 36.82 36.21 2e9k h ILE 47 CO -0.12 0.00 0.33 -0.74 0.00 0.00 0.00 178.15 177.62 2e9k h HIS 48 N -1.20 0.56 -0.56 1.37 2.76 -0.96 0.68 115.15 117.80 2e9k h HIS 48 Ca -0.12 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.14 2e9k h HIS 48 Cb 0.92 -0.12 -0.07 0.00 1.55 0.00 0.00 27.41 29.68 2e9k h HIS 48 CO -0.01 0.04 -0.39 -0.09 -1.30 0.00 0.00 177.93 176.18 2e9k h ARG 49 N 0.44 -0.07 -0.06 5.26 9.65 -0.67 0.56 114.38 129.50 2e9k h ARG 49 Ca 0.46 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.32 2e9k h ARG 49 Cb 0.74 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.34 2e9k h ARG 49 CO -0.44 -0.05 -0.06 0.74 2.80 0.00 0.00 179.97 182.96 2e9k h PHE 50 N -0.07 0.18 -3.01 2.20 -1.00 -1.42 -3.40 116.94 110.42 2e9k h PHE 50 Ca 0.09 -0.05 -0.61 0.00 2.81 0.00 0.00 57.97 60.20 2e9k h PHE 50 Cb 0.31 -0.04 -0.40 0.00 3.61 0.00 0.00 35.95 39.43 2e9k h PHE 50 CO -0.92 0.61 -0.73 1.03 -1.61 0.00 0.00 178.31 176.69 2e9k s ARG 51 N -4.22 1.36 0.22 1.51 3.00 0.19 -4.95 118.95 116.06 2e9k s ARG 51 Ca -0.15 -2.09 0.22 0.00 0.00 0.00 0.00 55.73 53.71 2e9k s ARG 51 Cb 0.03 -2.42 0.93 0.00 0.00 0.00 0.00 34.95 33.49 2e9k s ARG 51 CO 0.71 -1.16 1.67 -0.35 0.00 0.00 0.00 175.30 176.17 2e9k n PRO 52 N 3.46 0.17 0.01 3.54 -0.04 0.19 -2.71 135.00 139.62 2e9k n PRO 52 Ca 0.09 0.40 -0.09 0.00 -0.04 0.00 0.00 63.50 63.86 2e9k n PRO 52 Cb 0.35 -1.82 0.06 0.00 -0.04 0.00 0.00 33.50 32.05 2e9k n PRO 52 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2e9k h GLU 53 N 0.00 0.54 -0.28 0.54 4.57 -1.92 -3.21 114.58 114.81 2e9k h GLU 53 Ca 0.00 -0.34 -0.06 0.00 -1.18 0.00 0.00 59.36 57.78 2e9k h GLU 53 Cb 0.34 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2e9k h GLU 53 CO 0.00 0.94 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.62 2e9k h LEU 54 N 0.41 0.55 -7.99 1.64 3.38 -1.89 -3.43 115.31 107.98 2e9k h LEU 54 Ca 0.01 -0.37 -0.48 0.00 0.09 0.00 0.00 57.88 57.13 2e9k h LEU 54 Cb 1.08 -0.15 -0.32 0.00 0.09 0.00 0.00 40.66 41.36 2e9k h LEU 54 CO 0.10 0.80 -0.80 -0.63 0.09 0.00 0.00 178.44 177.99 2e9k s ILE 55 N -4.74 0.99 -0.50 1.22 1.01 -1.21 -5.06 121.20 112.91 2e9k s ILE 55 Ca -0.13 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 2e9k s ILE 55 Cb 0.08 -0.89 0.13 0.00 0.01 0.00 0.00 42.46 41.79 2e9k s ILE 55 CO 0.78 0.31 0.31 0.21 0.00 0.00 0.00 174.94 176.55 2e9k s ASN 56 N 0.41 5.35 0.23 3.58 2.47 -1.25 -4.56 114.94 121.15 2e9k s ASN 56 Ca -0.08 -2.30 -0.10 0.00 0.42 0.00 0.00 52.86 50.80 2e9k s ASN 56 Cb -0.12 -1.87 0.34 0.00 -1.45 0.00 0.00 41.25 38.15 2e9k s ASN 56 CO 0.02 -0.51 1.64 0.15 -3.72 0.00 0.00 177.10 174.68 2e9k h PHE 57 N 7.76 -0.14 -1.19 0.43 3.04 -1.92 0.34 116.94 125.26 2e9k h PHE 57 Ca -0.10 0.05 0.36 0.00 3.98 0.00 0.00 57.97 62.26 2e9k h PHE 57 Cb 1.02 0.17 -0.11 0.00 2.56 0.00 0.00 35.95 39.59 2e9k h PHE 57 CO 0.63 -0.23 0.76 0.22 -2.02 0.00 0.00 178.31 177.67 2e9k h ASP 58 N 0.07 0.33 0.37 0.41 1.82 -2.00 0.35 116.42 117.78 2e9k h ASP 58 Ca 0.36 0.11 -0.32 0.00 -0.39 0.00 0.00 57.03 56.79 2e9k h ASP 58 Cb 0.60 0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.69 2e9k h ASP 58 CO -0.63 -0.06 -1.56 -1.28 -1.61 0.00 0.00 179.24 174.10 2e9k h SER 59 N 0.22 0.52 -1.79 2.28 0.87 -0.81 -3.45 113.55 111.39 2e9k h SER 59 Ca 0.71 -0.69 -0.66 0.00 -1.23 0.00 0.00 61.79 59.93 2e9k h SER 59 Cb 2.08 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 63.88 2e9k h SER 59 CO -0.36 1.57 1.10 0.18 -0.53 0.00 0.00 176.83 178.79 2e9k n LEU 60 N -3.53 3.01 -4.49 2.23 4.77 0.12 -4.93 117.00 114.19 2e9k n LEU 60 Ca -0.18 0.91 -0.41 0.00 -0.03 0.00 0.00 56.01 56.30 2e9k n LEU 60 Cb 1.06 -1.30 -0.10 0.00 -2.33 0.00 0.00 43.42 40.74 2e9k n LEU 60 CO 0.53 -0.25 -0.11 0.21 -1.33 0.00 0.00 177.39 176.43 2e9k s ASN 61 N 4.46 6.01 0.29 -1.43 2.47 -1.26 -4.95 114.94 120.53 2e9k s ASN 61 Ca 0.97 -0.63 0.00 0.00 0.42 0.00 0.00 52.86 53.62 2e9k s ASN 61 Cb -0.80 -2.13 0.69 0.00 -1.45 0.00 0.00 41.25 37.56 2e9k s ASN 61 CO 0.55 -0.31 1.61 -0.08 -3.72 0.00 0.00 177.10 175.14 2e9k h GLU 62 N 8.52 0.08 -0.18 0.43 4.81 -1.95 1.31 114.58 127.60 2e9k h GLU 62 Ca -0.30 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2e9k h GLU 62 Cb 1.14 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2e9k h GLU 62 CO 0.67 0.06 0.06 0.22 -0.73 0.00 0.00 179.01 179.28 2e9k h ASP 63 N 0.09 0.22 -0.64 1.04 1.82 -2.00 -2.64 116.42 114.30 2e9k h ASP 63 Ca 0.55 -0.02 -0.36 0.00 -0.39 0.00 0.00 57.03 56.81 2e9k h ASP 63 Cb 1.12 -0.06 -0.14 0.00 0.68 0.00 0.00 39.33 40.93 2e9k h ASP 63 CO -0.78 0.22 0.27 0.47 -1.61 0.00 0.00 179.24 177.80 2e9k n ASP 64 N -4.45 6.23 -0.21 2.28 8.00 0.45 -4.68 116.55 124.17 2e9k n ASP 64 Ca -0.00 -3.00 -0.06 0.00 0.71 0.00 0.00 54.79 52.43 2e9k n ASP 64 Cb 0.13 -1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 40.02 2e9k n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9k h ALA 65 N 2.33 -0.16 -0.71 2.24 0.00 -1.50 0.13 119.26 121.59 2e9k h ALA 65 Ca 0.30 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.45 2e9k h ALA 65 Cb 0.92 0.87 -0.11 0.00 0.00 0.00 0.00 17.79 19.46 2e9k h ALA 65 CO 0.69 -0.74 -0.48 0.28 0.00 0.00 0.00 179.25 179.00 2e9k h VAL 66 N -0.19 0.04 -0.09 0.00 2.07 -1.80 0.22 116.25 116.50 2e9k h VAL 66 Ca 0.21 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.75 2e9k h VAL 66 Cb 0.56 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2e9k h VAL 66 CO -0.69 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 176.56 2e9k h GLU 67 N -0.17 0.01 0.11 1.57 4.39 -1.62 -1.76 114.58 117.10 2e9k h GLU 67 Ca 0.18 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.90 2e9k h GLU 67 Cb 0.54 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 2e9k h GLU 67 CO -0.77 0.01 -0.53 -0.91 -1.16 0.00 0.00 179.01 175.64 2e9k h ASN 68 N 0.01 -1.61 0.02 1.42 2.35 0.60 -1.24 115.58 117.13 2e9k h ASN 68 Ca 0.04 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2e9k h ASN 68 Cb 0.06 0.60 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 2e9k h ASN 68 CO -0.09 -0.56 -0.09 0.78 -1.65 0.00 0.00 177.43 175.82 2e9k h ASN 69 N -0.75 -0.27 -0.82 5.81 2.35 -0.49 -1.54 115.58 119.87 2e9k h ASN 69 Ca -0.00 0.03 0.21 0.00 -0.55 0.00 0.00 56.30 55.99 2e9k h ASN 69 Cb 0.76 0.10 -0.15 0.00 0.05 0.00 0.00 38.32 39.08 2e9k h ASN 69 CO -0.30 -0.10 -0.02 1.67 -1.65 0.00 0.00 177.43 177.04 2e9k n GLN 70 N -2.95 -0.07 0.36 0.81 -0.06 -0.67 -0.25 117.38 114.55 2e9k n GLN 70 Ca -0.01 1.24 -0.16 0.00 -2.00 0.00 0.00 57.00 56.06 2e9k n GLN 70 Cb 0.07 -1.94 -0.08 0.00 -4.06 0.00 0.00 30.24 24.23 2e9k n GLN 70 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 2e9k h LEU 71 N 0.00 -1.06 -0.51 1.69 5.85 -0.58 0.12 115.31 120.81 2e9k h LEU 71 Ca 0.48 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.36 2e9k h LEU 71 Cb 0.95 0.31 -0.10 0.00 0.37 0.00 0.00 40.66 42.19 2e9k h LEU 71 CO -0.78 -0.63 -0.25 0.00 -0.34 0.00 0.00 178.44 176.43 2e9k h ALA 72 N -1.27 0.09 -0.30 1.25 0.00 0.36 0.16 119.26 119.55 2e9k h ALA 72 Ca -0.09 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2e9k h ALA 72 Cb 0.81 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2e9k h ALA 72 CO 0.08 -0.59 0.07 0.74 0.00 0.00 0.00 179.25 179.54 2e9k h PHE 73 N -0.13 0.11 0.71 0.00 0.04 -0.98 -1.43 116.94 115.26 2e9k h PHE 73 Ca 0.23 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.99 2e9k h PHE 73 Cb 0.50 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 2e9k h PHE 73 CO -0.53 0.03 -0.47 -0.44 -0.60 0.00 0.00 178.31 176.30 2e9k h ASP 74 N 0.18 -1.20 -0.95 2.17 5.19 0.58 -0.87 116.42 121.52 2e9k h ASP 74 Ca 0.14 0.07 0.24 0.00 -0.62 0.00 0.00 57.03 56.86 2e9k h ASP 74 Cb 0.14 0.36 -0.13 0.00 0.18 0.00 0.00 39.33 39.89 2e9k h ASP 74 CO -0.18 -0.71 0.48 0.58 -3.12 0.00 0.00 179.24 176.30 2e9k h VAL 75 N -1.12 0.47 -0.26 -1.35 2.07 -0.61 0.54 116.25 115.99 2e9k h VAL 75 Ca -0.09 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 2e9k h VAL 75 Cb 0.91 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2e9k h VAL 75 CO 0.07 0.08 -0.22 0.00 0.02 0.00 0.00 177.57 177.53 2e9k h ALA 76 N 1.73 1.15 0.00 1.67 0.00 -0.87 0.37 119.26 123.31 2e9k h ALA 76 Ca 0.61 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2e9k h ALA 76 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2e9k h ALA 76 CO -0.52 0.54 -0.02 1.49 0.00 0.00 0.00 179.25 180.73 2e9k h GLU 77 N 0.42 0.00 0.00 0.00 4.22 0.14 1.65 114.58 121.00 2e9k h GLU 77 Ca 0.07 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.22 2e9k h GLU 77 Cb 0.62 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 2e9k h GLU 77 CO 0.04 0.00 -2.20 0.54 -2.18 0.00 0.00 179.01 175.21 2e9k n ARG 78 N -2.42 0.68 -0.08 1.92 1.74 0.53 -3.56 116.66 115.47 2e9k n ARG 78 Ca 0.05 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.99 2e9k n ARG 78 Cb 0.45 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 2e9k n ARG 78 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2e9k n GLU 79 N -2.70 0.41 0.17 5.56 -0.58 0.12 -4.65 120.64 118.97 2e9k n GLU 79 Ca -0.25 0.17 0.10 0.00 -0.42 0.00 0.00 57.16 56.77 2e9k n GLU 79 Cb 1.02 -1.20 0.09 0.00 -0.57 0.00 0.00 31.44 30.78 2e9k n GLU 79 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 2e9k h PHE 80 N -0.73 0.00 -3.14 -0.32 0.04 -0.52 -3.48 116.94 108.79 2e9k h PHE 80 Ca -0.25 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.29 2e9k h PHE 80 Cb 1.07 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.28 2e9k h PHE 80 CO -0.20 0.07 -0.36 0.41 -0.60 0.00 0.00 178.31 177.63 2e9k n GLY 81 N 1.15 0.03 3.43 -1.45 0.00 0.52 -4.92 105.19 103.95 2e9k n GLY 81 Ca 0.02 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2e9k n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2e9k s ILE 82 N -3.00 3.89 0.31 -0.61 1.01 -0.92 -4.89 121.20 116.99 2e9k s ILE 82 Ca 0.23 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 2e9k s ILE 82 Cb -0.10 -2.76 -0.10 0.00 0.01 0.00 0.00 42.46 39.51 2e9k s ILE 82 CO 0.29 0.43 1.23 -2.16 0.00 0.00 0.00 174.94 174.72 2e9k s PRO 83 N 1.06 4.46 0.61 2.79 0.04 -1.26 -3.63 135.00 139.06 2e9k s PRO 83 Ca 0.02 2.06 -0.17 0.00 0.04 0.00 0.00 61.00 62.95 2e9k s PRO 83 Cb -0.14 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 2e9k s PRO 83 CO 0.01 -0.04 1.12 -1.25 0.04 0.00 0.00 177.00 176.88 2e9k s PRO 84 N -1.61 3.05 -0.18 0.56 0.04 -1.26 -4.99 135.00 130.62 2e9k s PRO 84 Ca 0.47 1.49 0.12 0.00 0.04 0.00 0.00 61.00 63.12 2e9k s PRO 84 Cb -0.37 -1.98 -0.23 0.00 0.04 0.00 0.00 34.50 31.97 2e9k s PRO 84 CO 0.48 -1.07 0.12 1.33 0.04 0.00 0.00 177.00 177.91 2e9k n VAL 85 N -1.92 1.47 -4.15 -0.36 0.24 -1.26 -5.01 118.33 107.34 2e9k n VAL 85 Ca 0.11 -0.78 -0.10 0.00 -2.04 0.00 0.00 64.34 61.53 2e9k n VAL 85 Cb 0.52 -0.83 -0.10 0.00 -1.47 0.00 0.00 33.84 31.96 2e9k n VAL 85 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2e9k s THR 86 N -2.52 0.37 0.06 3.34 -1.32 -1.26 -5.15 115.64 109.16 2e9k s THR 86 Ca -0.15 -1.90 -0.19 0.00 -1.21 0.00 0.00 61.69 58.25 2e9k s THR 86 Cb 0.07 -1.82 -0.07 0.00 -1.51 0.00 0.00 72.50 69.17 2e9k s THR 86 CO 0.78 -0.72 0.55 0.42 -2.21 0.00 0.00 174.62 173.44 2e9k s THR 87 N -3.85 4.78 0.42 5.08 -4.23 -1.26 -4.90 115.64 111.67 2e9k s THR 87 Ca 0.16 1.17 0.25 0.00 -1.18 0.00 0.00 61.69 62.09 2e9k s THR 87 Cb 0.07 -3.87 0.44 0.00 1.34 0.00 0.00 72.50 70.48 2e9k s THR 87 CO -0.03 0.56 1.67 1.23 -0.54 0.00 0.00 174.62 177.51 2e9k h GLY 88 N 4.55 1.36 0.88 3.99 0.00 -1.93 0.28 103.07 112.19 2e9k h GLY 88 Ca -0.50 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 2e9k h GLY 88 CO 0.63 -0.34 -0.04 0.50 0.00 0.00 0.00 176.54 177.29 2e9k h LYS 89 N 0.19 -0.11 -0.44 4.80 1.57 -1.93 -2.56 116.57 118.10 2e9k h LYS 89 Ca 0.75 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 59.39 2e9k h LYS 89 Cb 2.17 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.49 2e9k h LYS 89 CO -0.41 0.04 -0.26 1.49 -0.57 0.00 0.00 179.45 179.74 2e9k h GLU 90 N -0.24 0.95 -0.80 3.15 4.57 -1.05 0.27 114.58 121.42 2e9k h GLU 90 Ca -0.01 -0.43 0.15 0.00 -1.18 0.00 0.00 59.36 57.89 2e9k h GLU 90 Cb 0.20 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.67 2e9k h GLU 90 CO 0.02 1.09 0.36 1.98 -1.18 0.00 0.00 179.01 181.28 2e9k h MET 91 N 0.80 0.49 0.14 1.92 4.05 -0.53 0.41 114.93 122.22 2e9k h MET 91 Ca 0.09 -0.03 -0.35 0.00 -0.28 0.00 0.00 59.70 59.14 2e9k h MET 91 Cb 0.84 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.52 2e9k h MET 91 CO 0.07 0.32 -1.81 0.00 0.23 0.00 0.00 176.91 175.72 2e9k h ALA 92 N 1.57 0.31 0.86 0.39 0.00 -1.36 -3.39 119.26 117.64 2e9k h ALA 92 Ca 0.45 -1.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.06 2e9k h ALA 92 Cb 0.68 0.53 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2e9k h ALA 92 CO -0.40 1.18 -0.42 0.77 0.00 0.00 0.00 179.25 180.39 2e9k h SER 93 N 0.08 -0.98 -1.51 0.00 0.02 0.01 -3.42 113.55 107.76 2e9k h SER 93 Ca -0.36 0.03 -0.68 0.00 -0.84 0.00 0.00 61.79 59.94 2e9k h SER 93 Cb 2.06 0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.86 2e9k h SER 93 CO 0.14 -0.69 1.14 0.00 -1.14 0.00 0.00 176.83 176.27 2e9k n ALA 94 N -2.60 0.53 0.07 3.77 0.00 0.14 -4.86 120.51 117.56 2e9k n ALA 94 Ca -0.14 0.21 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 2e9k n ALA 94 Cb 0.46 -2.41 -0.08 0.00 0.00 0.00 0.00 19.45 17.42 2e9k n ALA 94 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2e9k h GLN 95 N 9.54 -0.60 -4.13 0.00 4.20 -1.87 -3.38 115.11 118.86 2e9k h GLN 95 Ca -0.40 0.04 -0.60 0.00 0.06 0.00 0.00 58.65 57.75 2e9k h GLN 95 Cb 1.31 0.14 -0.39 0.00 0.30 0.00 0.00 27.48 28.83 2e9k h GLN 95 CO 0.98 -0.40 -0.77 -2.00 -0.67 0.00 0.00 178.83 175.97 2e9k s GLU 96 N -5.84 1.27 1.18 1.46 2.12 -1.26 -4.89 118.70 112.73 2e9k s GLU 96 Ca -0.16 -1.10 -0.18 0.00 0.36 0.00 0.00 54.97 53.89 2e9k s GLU 96 Cb 0.08 -2.49 0.27 0.00 0.26 0.00 0.00 34.13 32.25 2e9k s GLU 96 CO 0.63 -0.76 1.11 -1.25 -0.54 0.00 0.00 175.26 174.45 2e9k s PRO 97 N 1.42 -1.03 0.31 4.30 0.04 -1.26 -5.00 135.00 133.77 2e9k s PRO 97 Ca 0.01 0.01 -0.27 0.00 0.04 0.00 0.00 61.00 60.79 2e9k s PRO 97 Cb -0.18 -1.61 -0.09 0.00 0.04 0.00 0.00 34.50 32.65 2e9k s PRO 97 CO -0.11 -3.60 1.01 -0.51 0.04 0.00 0.00 177.00 173.82 2e9k s ASP 98 N -3.83 7.27 0.16 6.66 1.11 -1.26 -4.93 116.67 121.84 2e9k s ASP 98 Ca 0.70 2.02 0.07 0.00 0.18 0.00 0.00 52.55 55.52 2e9k s ASP 98 Cb -0.11 -2.60 -0.07 0.00 1.07 0.00 0.00 42.92 41.21 2e9k s ASP 98 CO 0.56 -0.12 1.36 0.07 1.18 0.00 0.00 175.17 178.22 2e9k h LYS 99 N 3.42 0.02 0.15 8.23 2.10 -1.95 -3.20 116.57 125.35 2e9k h LYS 99 Ca -0.47 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 2e9k h LYS 99 Cb 1.20 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2e9k h LYS 99 CO 0.66 0.92 -0.07 1.25 -2.00 0.00 0.00 179.45 180.20 2e9k h LEU 100 N 0.01 -0.17 -1.00 7.07 5.85 -1.96 -2.90 115.31 122.21 2e9k h LEU 100 Ca -0.02 0.01 0.38 0.00 0.84 0.00 0.00 57.88 59.09 2e9k h LEU 100 Cb 1.61 0.04 -0.17 0.00 0.37 0.00 0.00 40.66 42.51 2e9k h LEU 100 CO 0.12 0.04 0.47 0.28 -0.34 0.00 0.00 178.44 179.01 2e9k h SER 101 N -0.52 0.25 0.73 1.25 0.02 -1.99 0.18 113.55 113.46 2e9k h SER 101 Ca -0.02 0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 2e9k h SER 101 Cb 0.15 0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.97 2e9k h SER 101 CO 0.03 -0.37 -0.35 0.24 -1.14 0.00 0.00 176.83 175.25 2e9k h MET 102 N 0.06 -0.94 0.13 3.45 2.86 -1.64 -2.98 114.93 115.87 2e9k h MET 102 Ca 0.79 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.50 2e9k h MET 102 Cb 1.99 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 33.84 2e9k h MET 102 CO -0.76 -0.61 -0.25 0.28 1.06 0.00 0.00 176.91 176.63 2e9k h VAL 103 N -1.06 0.00 -1.37 -2.22 2.07 -0.48 0.97 116.25 114.16 2e9k h VAL 103 Ca -0.10 0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.85 2e9k h VAL 103 Cb 0.77 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.45 2e9k h VAL 103 CO 0.16 0.00 0.95 1.15 0.02 0.00 0.00 177.57 179.85 2e9k n MET 104 N -3.87 -0.01 0.05 1.57 0.00 -0.51 0.22 117.12 114.56 2e9k n MET 104 Ca -0.05 0.93 -0.22 0.00 0.00 0.00 0.00 57.70 58.36 2e9k n MET 104 Cb 0.21 -1.99 -0.14 0.00 0.00 0.00 0.00 33.22 31.29 2e9k n MET 104 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2e9k h TYR 105 N 0.00 0.59 -0.07 3.17 3.20 -1.05 -3.32 116.97 119.48 2e9k h TYR 105 Ca 0.73 -0.43 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 2e9k h TYR 105 Cb 2.70 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 40.94 2e9k h TYR 105 CO -0.00 1.56 0.02 -0.07 -1.64 0.00 0.00 178.16 178.03 2e9k h LEU 106 N -0.15 0.10 -0.66 2.82 3.38 0.52 -3.12 115.31 118.19 2e9k h LEU 106 Ca -0.29 -0.20 0.12 0.00 0.09 0.00 0.00 57.88 57.60 2e9k h LEU 106 Cb 1.88 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 42.48 2e9k h LEU 106 CO 0.13 0.28 -0.26 0.77 0.09 0.00 0.00 178.44 179.45 2e9k h SER 107 N -0.08 -0.92 -1.00 -0.43 4.64 -0.63 0.16 113.55 115.29 2e9k h SER 107 Ca 0.02 0.22 0.31 0.00 -0.47 0.00 0.00 61.79 61.88 2e9k h SER 107 Cb 0.21 0.52 -0.18 0.00 -0.31 0.00 0.00 62.40 62.64 2e9k h SER 107 CO -0.00 -0.27 0.17 0.11 -0.87 0.00 0.00 176.83 175.97 2e9k h LYS 108 N -0.08 0.01 -0.03 4.77 1.57 -1.64 0.31 116.57 121.48 2e9k h LYS 108 Ca 0.29 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.99 2e9k h LYS 108 Cb 0.54 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.85 2e9k h LYS 108 CO -0.72 0.00 -0.31 0.74 -0.57 0.00 0.00 179.45 178.59 2e9k h PHE 109 N 0.01 0.37 -0.80 -1.35 0.04 -0.84 -3.02 116.94 111.35 2e9k h PHE 109 Ca 0.67 -0.18 0.09 0.00 2.80 0.00 0.00 57.97 61.35 2e9k h PHE 109 Cb 1.52 -0.05 -0.12 0.00 2.20 0.00 0.00 35.95 39.50 2e9k h PHE 109 CO -0.37 0.95 -0.52 -0.92 -0.60 0.00 0.00 178.31 176.86 2e9k h TYR 110 N -0.32 -1.59 0.67 -0.55 3.20 0.71 0.30 116.97 119.39 2e9k h TYR 110 Ca -0.03 0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 2e9k h TYR 110 Cb 1.02 0.80 -0.00 0.00 1.54 0.00 0.00 36.73 40.09 2e9k h TYR 110 CO 0.15 -0.41 -0.37 0.93 -1.64 0.00 0.00 178.16 176.82 2e9k h GLU 111 N -0.12 -0.93 -0.34 1.82 5.08 -1.45 0.28 114.58 118.91 2e9k h GLU 111 Ca 0.18 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 2e9k h GLU 111 Cb 0.51 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2e9k h GLU 111 CO -0.83 -0.62 -0.41 1.25 -1.00 0.00 0.00 179.01 177.39 2e9k h LEU 112 N -0.97 -1.40 -0.04 1.33 5.85 -1.18 0.29 115.31 119.20 2e9k h LEU 112 Ca -0.09 0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2e9k h LEU 112 Cb 0.77 0.58 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 2e9k h LEU 112 CO 0.11 -0.28 -0.10 -0.26 -0.34 0.00 0.00 178.44 177.56 2e9k h PHE 113 N -0.26 -0.26 0.00 1.25 0.04 -0.43 -3.20 116.94 114.06 2e9k h PHE 113 Ca 0.06 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.84 2e9k h PHE 113 Cb 0.42 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.70 2e9k h PHE 113 CO -0.73 -0.16 0.00 -2.13 -0.60 0.00 0.00 178.31 174.70 2e9k n ARG 114 N -5.24 0.00 0.00 1.51 0.63 1.00 -5.01 116.66 109.56 2e9k n ARG 114 Ca -0.05 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 2e9k n ARG 114 Cb 0.16 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.57 2e9k n ARG 114 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2e9k n GLY 115 N -1.00 -0.33 2.91 5.14 0.00 0.94 -5.07 105.19 107.78 2e9k n GLY 115 Ca 0.00 0.36 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 2e9k n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2e9k s THR 116 N 0.00 0.14 0.92 2.61 -1.32 -1.26 -4.40 115.64 112.33 2e9k s THR 116 Ca 0.00 -0.15 -0.12 0.00 -1.21 0.00 0.00 61.69 60.21 2e9k s THR 116 Cb 0.00 -0.14 0.14 0.00 -1.51 0.00 0.00 72.50 70.99 2e9k s THR 116 CO 0.00 -0.01 1.09 -2.16 -2.21 0.00 0.00 174.62 171.34 2e9k s PRO 117 N -0.17 1.04 0.02 7.08 0.04 -1.26 -5.08 135.00 136.67 2e9k s PRO 117 Ca -0.01 0.74 -0.09 0.00 0.04 0.00 0.00 61.00 61.69 2e9k s PRO 117 Cb -0.01 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2e9k s PRO 117 CO -0.00 -2.37 0.17 -0.51 0.04 0.00 0.00 177.00 174.33 2e9k s LEU 118 N -6.28 1.44 -0.02 -3.56 1.43 -1.26 -5.17 118.68 105.25 2e9k s LEU 118 Ca 0.64 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2e9k s LEU 118 Cb -0.18 0.84 0.01 0.00 0.03 0.00 0.00 46.19 46.88 2e9k s LEU 118 CO 0.57 -0.47 0.11 0.00 0.23 0.00 0.00 176.35 176.79 2e9k s ARG 119 N -2.01 0.25 0.56 1.70 1.70 -1.26 -5.15 118.95 114.74 2e9k s ARG 119 Ca -0.10 -0.07 -0.19 0.00 -0.47 0.00 0.00 55.73 54.91 2e9k s ARG 119 Cb -0.04 0.11 -0.05 0.00 -0.57 0.00 0.00 34.95 34.40 2e9k s ARG 119 CO -0.01 -0.05 1.13 -1.25 -1.08 0.00 0.00 175.30 174.04 2e9k s PRO 120 N -0.49 3.26 0.00 3.89 0.04 -1.26 -5.37 135.00 135.07 2e9k s PRO 120 Ca -0.06 1.57 0.10 0.00 0.04 0.00 0.00 61.00 62.65 2e9k s PRO 120 Cb -0.04 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.59 2e9k s PRO 120 CO 0.00 -0.92 0.81 1.33 0.04 0.00 0.00 177.00 178.27