#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6k s MET 1 N 0.00 1.60 0.62 5.55 1.00 -1.07 -4.97 119.30 122.04 3g6k s MET 1 Ca 0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 55.69 54.28 3g6k s MET 1 Cb 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 34.83 32.85 3g6k s MET 1 CO 0.00 0.48 1.16 1.03 0.00 0.00 0.00 175.02 177.68 3g6k s ARG 2 N -1.76 2.89 0.20 2.03 0.52 -1.26 -3.95 118.95 117.62 3g6k s ARG 2 Ca 0.14 1.62 -0.11 0.00 -0.52 0.00 0.00 55.73 56.86 3g6k s ARG 2 Cb -0.10 -1.94 0.19 0.00 0.52 0.00 0.00 34.95 33.62 3g6k s ARG 2 CO 0.05 -1.22 1.82 1.25 0.02 0.00 0.00 175.30 177.21 3g6k h LEU 3 N 0.51 0.56 -1.12 2.53 5.85 -1.84 -0.25 115.31 121.55 3g6k h LEU 3 Ca -0.49 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.18 3g6k h LEU 3 Cb 1.27 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3g6k h LEU 3 CO 0.54 0.38 -0.12 1.23 -0.34 0.00 0.00 178.44 180.13 3g6k h GLY 4 N 0.69 0.51 1.03 3.75 0.00 -1.91 0.10 103.07 107.24 3g6k h GLY 4 Ca 0.27 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 3g6k h GLY 4 CO -0.15 0.32 -0.22 -0.55 0.00 0.00 0.00 176.54 175.94 3g6k h ASP 5 N 0.44 0.87 -0.71 0.19 3.32 -1.68 -0.23 116.42 118.61 3g6k h ASP 5 Ca 0.08 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 3g6k h ASP 5 Cb 0.48 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3g6k h ASP 5 CO 0.03 1.09 0.41 0.00 -1.72 0.00 0.00 179.24 179.05 3g6k h ALA 6 N 0.80 0.90 -0.45 3.45 0.00 -0.62 -0.50 119.26 122.84 3g6k h ALA 6 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3g6k h ALA 6 Cb 0.78 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3g6k h ALA 6 CO 0.06 0.40 0.10 0.00 0.00 0.00 0.00 179.25 179.81 3g6k h ALA 7 N 1.21 0.59 -0.68 0.00 0.00 -0.68 -0.86 119.26 118.84 3g6k h ALA 7 Ca 0.25 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3g6k h ALA 7 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3g6k h ALA 7 CO -0.04 0.28 0.24 1.49 0.00 0.00 0.00 179.25 181.22 3g6k h GLU 8 N 0.59 1.04 -0.44 0.00 4.81 -0.90 -0.22 114.58 119.47 3g6k h GLU 8 Ca 0.14 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3g6k h GLU 8 Cb 0.33 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3g6k h GLU 8 CO 0.00 0.88 0.21 1.25 -0.73 0.00 0.00 179.01 180.62 3g6k h LEU 9 N 0.98 0.29 -0.96 1.64 5.85 -0.83 -0.42 115.31 121.87 3g6k h LEU 9 Ca 0.22 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 3g6k h LEU 9 Cb 0.26 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3g6k h LEU 9 CO -0.01 0.21 -0.03 0.00 -0.34 0.00 0.00 178.44 178.26 3g6k h TYR 11 N 0.67 0.67 -0.54 0.00 3.20 -0.58 -0.69 116.97 119.71 3g6k h TYR 11 Ca 0.13 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 3g6k h TYR 11 Cb 0.46 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3g6k h TYR 11 CO 0.02 0.58 -0.09 -0.91 -1.64 0.00 0.00 178.16 176.12 3g6k h ASN 12 N 0.56 0.99 0.13 -2.11 2.35 -0.40 0.28 115.58 117.38 3g6k h ASN 12 Ca 0.15 -0.32 -0.18 0.00 -0.55 0.00 0.00 56.30 55.40 3g6k h ASN 12 Cb 0.20 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 3g6k h ASN 12 CO -0.01 1.10 -0.68 0.17 -1.65 0.00 0.00 177.43 176.36 3g6k h LEU 13 N 0.89 0.59 -0.35 1.61 8.10 -0.68 -0.65 115.31 124.82 3g6k h LEU 13 Ca 0.14 -0.36 -0.10 0.00 0.11 0.00 0.00 57.88 57.67 3g6k h LEU 13 Cb 0.65 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.69 3g6k h LEU 13 CO 0.04 1.10 -0.16 0.74 -4.11 0.00 0.00 178.44 176.05 3g6k h THR 14 N 0.36 1.29 -0.77 0.15 2.02 -1.02 -0.71 112.91 114.23 3g6k h THR 14 Ca -0.02 -1.28 0.01 0.00 0.77 0.00 0.00 66.41 65.89 3g6k h THR 14 Cb 1.25 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.98 3g6k h THR 14 CO 0.12 0.42 0.51 -1.28 0.37 0.00 0.00 175.52 175.66 3g6k h SER 15 N 0.52 0.88 -0.40 4.18 0.87 -0.84 -0.61 113.55 118.15 3g6k h SER 15 Ca 0.08 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3g6k h SER 15 Cb 0.70 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 3g6k h SER 15 CO 0.05 0.64 0.24 -1.28 -0.53 0.00 0.00 176.83 175.95 3g6k h SER 16 N 1.04 0.47 -0.63 6.23 0.87 -0.90 -1.72 113.55 118.91 3g6k h SER 16 Ca 0.28 -0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.83 3g6k h SER 16 Cb -0.12 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.67 3g6k h SER 16 CO -0.06 0.39 0.36 0.22 -0.53 0.00 0.00 176.83 177.20 3g6k h TYR 17 N 0.52 0.66 0.00 2.24 3.20 -0.71 -1.91 116.97 120.97 3g6k h TYR 17 Ca 0.14 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3g6k h TYR 17 Cb -0.00 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.06 3g6k h TYR 17 CO -0.04 0.34 0.00 -0.07 -1.64 0.00 0.00 178.16 176.76 3g6k h LEU 18 N 0.68 0.00 -0.10 2.82 3.38 -0.66 -2.15 115.31 119.29 3g6k h LEU 18 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3g6k h LEU 18 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3g6k h LEU 18 CO -0.15 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 178.05 3g6k n GLN 19 N -3.05 0.20 -1.88 1.13 6.02 -0.69 -4.90 117.38 114.21 3g6k n GLN 19 Ca -0.01 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.47 3g6k n GLN 19 Cb 0.21 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.95 3g6k n GLN 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3g6k s ILE 20 N -2.86 2.41 -0.74 5.09 1.01 -0.81 -4.91 121.20 120.39 3g6k s ILE 20 Ca 0.16 0.32 -0.22 0.00 0.00 0.00 0.00 60.65 60.90 3g6k s ILE 20 Cb 0.18 -3.20 0.08 0.00 0.01 0.00 0.00 42.46 39.53 3g6k s ILE 20 CO 0.62 0.04 1.05 0.00 0.00 0.00 0.00 174.94 176.64 3g6k s ALA 21 N 0.66 3.12 0.14 9.38 0.00 -1.26 -5.00 121.76 128.79 3g6k s ALA 21 Ca 0.67 -2.03 0.08 0.00 0.00 0.00 0.00 51.96 50.68 3g6k s ALA 21 Cb -0.45 -3.97 -0.04 0.00 0.00 0.00 0.00 23.12 18.66 3g6k s ALA 21 CO 0.37 -2.90 -0.08 0.00 0.00 0.00 0.00 175.76 173.15 3g6k s ALA 22 N 3.95 2.99 0.50 0.00 0.00 -1.26 -5.10 121.76 122.84 3g6k s ALA 22 Ca 0.27 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.67 3g6k s ALA 22 Cb -0.13 -0.86 -0.06 0.00 0.00 0.00 0.00 23.12 22.07 3g6k s ALA 22 CO 0.05 0.56 1.20 -1.21 0.00 0.00 0.00 175.76 176.36 3g6k s GLU 23 N -2.54 3.52 0.54 0.00 2.02 -1.26 -4.87 118.70 116.10 3g6k s GLU 23 Ca 0.24 1.84 0.24 0.00 0.02 0.00 0.00 54.97 57.30 3g6k s GLU 23 Cb -0.10 -2.28 1.42 0.00 0.10 0.00 0.00 34.13 33.27 3g6k s GLU 23 CO 0.15 -0.77 2.05 0.66 0.02 0.00 0.00 175.26 177.37 3g6k h SER 24 N 1.71 0.00 -0.67 -0.19 4.64 -2.00 -1.67 113.55 115.37 3g6k h SER 24 Ca -0.50 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.58 3g6k h SER 24 Cb 1.26 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.21 3g6k h SER 24 CO 0.59 0.00 0.25 -0.90 -0.87 0.00 0.00 176.83 175.90 3g6k n ASP 25 N -4.29 4.18 -4.94 4.97 5.75 -1.26 -4.79 116.55 116.17 3g6k n ASP 25 Ca 0.05 -3.36 -0.25 0.00 -0.01 0.00 0.00 54.79 51.23 3g6k n ASP 25 Cb 0.42 -0.72 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 3g6k n ASP 25 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3g6k s SER 26 N -1.42 6.33 0.21 -1.12 1.04 -0.63 -5.00 113.70 113.11 3g6k s SER 26 Ca 0.52 0.39 -0.10 0.00 0.48 0.00 0.00 55.95 57.25 3g6k s SER 26 Cb 0.43 -2.01 0.15 0.00 0.10 0.00 0.00 66.02 64.70 3g6k s SER 26 CO 0.10 -0.19 1.85 0.40 0.98 0.00 0.00 173.24 176.39 3g6k h ILE 27 N 1.07 1.21 -0.40 -1.02 2.04 -1.94 -2.28 117.51 116.19 3g6k h ILE 27 Ca -0.50 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 64.90 3g6k h ILE 27 Cb 1.21 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3g6k h ILE 27 CO 0.63 0.22 0.26 0.40 0.00 0.00 0.00 178.15 179.67 3g6k h ILE 28 N 1.03 1.10 -0.83 -0.67 2.04 -1.94 0.63 117.51 118.86 3g6k h ILE 28 Ca 0.27 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 3g6k h ILE 28 Cb -0.04 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 3g6k h ILE 28 CO -0.05 0.10 0.41 0.00 0.00 0.00 0.00 178.15 178.61 3g6k h ALA 29 N 1.15 1.07 -0.81 1.87 0.00 -1.71 0.20 119.26 121.03 3g6k h ALA 29 Ca 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3g6k h ALA 29 Cb -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 3g6k h ALA 29 CO -0.04 0.62 0.38 0.37 0.00 0.00 0.00 179.25 180.59 3g6k h GLN 30 N 1.18 1.17 -0.44 0.00 4.15 -0.99 -1.34 115.11 118.83 3g6k h GLN 30 Ca 0.29 -0.17 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 3g6k h GLN 30 Cb 0.10 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 3g6k h GLN 30 CO -0.04 0.90 -0.15 1.15 -1.93 0.00 0.00 178.83 178.76 3g6k h THR 31 N 1.15 1.26 -0.48 2.39 2.02 -0.03 -0.93 112.91 118.30 3g6k h THR 31 Ca 0.28 -1.25 0.03 0.00 0.77 0.00 0.00 66.41 66.24 3g6k h THR 31 Cb 0.13 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3g6k h THR 31 CO -0.03 0.43 0.27 1.56 0.37 0.00 0.00 175.52 178.11 3g6k h GLN 32 N 0.74 0.51 -0.93 6.66 4.20 -0.49 0.73 115.11 126.53 3g6k h GLN 32 Ca 0.11 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.81 3g6k h GLN 32 Cb 0.66 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 3g6k h GLN 32 CO 0.05 0.34 0.62 0.00 -0.67 0.00 0.00 178.83 179.17 3g6k h ARG 33 N 0.53 1.22 -0.69 1.46 3.08 -0.91 -1.30 114.38 117.76 3g6k h ARG 33 Ca 0.20 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 3g6k h ARG 33 Cb 0.07 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 3g6k h ARG 33 CO -0.12 0.80 0.13 0.00 -1.07 0.00 0.00 179.97 179.72 3g6k h ALA 34 N 1.42 0.92 -0.44 0.04 0.00 -0.48 -1.81 119.26 118.91 3g6k h ALA 34 Ca 0.35 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3g6k h ALA 34 Cb -0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 3g6k h ALA 34 CO -0.08 0.67 0.28 0.82 0.00 0.00 0.00 179.25 180.95 3g6k h ILE 35 N 1.07 1.12 -0.54 0.00 2.04 -0.48 -1.27 117.51 119.45 3g6k h ILE 35 Ca 0.21 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 3g6k h ILE 35 Cb 0.42 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3g6k h ILE 35 CO 0.01 0.12 0.12 0.78 0.00 0.00 0.00 178.15 179.18 3g6k h ASN 36 N 0.59 0.78 -0.39 1.72 2.35 -0.95 0.43 115.58 120.12 3g6k h ASN 36 Ca 0.16 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3g6k h ASN 36 Cb -0.04 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 3g6k h ASN 36 CO -0.03 0.77 0.03 0.74 -1.65 0.00 0.00 177.43 177.29 3g6k h THR 37 N 0.80 1.25 -0.79 2.81 2.02 -1.15 -1.30 112.91 116.55 3g6k h THR 37 Ca 0.17 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 3g6k h THR 37 Cb 0.31 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 3g6k h THR 37 CO 0.00 0.32 0.43 0.74 0.37 0.00 0.00 175.52 177.38 3g6k h THR 38 N 0.50 1.23 -0.62 3.16 2.02 -0.73 -1.00 112.91 117.47 3g6k h THR 38 Ca 0.11 -0.58 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 3g6k h THR 38 Cb 0.42 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3g6k h THR 38 CO 0.01 0.26 0.12 0.11 0.37 0.00 0.00 175.52 176.39 3g6k h LYS 39 N 1.09 1.02 -0.59 6.66 1.57 -0.78 -1.72 116.57 123.83 3g6k h LYS 39 Ca 0.28 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3g6k h LYS 39 Cb 0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3g6k h LYS 39 CO -0.04 0.95 0.22 1.03 -0.57 0.00 0.00 179.45 181.03 3g6k h SER 40 N 0.94 0.82 -0.53 0.86 0.87 -0.85 0.92 113.55 116.58 3g6k h SER 40 Ca 0.19 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3g6k h SER 40 Cb 0.41 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3g6k h SER 40 CO 0.01 0.78 0.34 0.40 -0.53 0.00 0.00 176.83 177.83 3g6k h ILE 41 N 0.81 1.10 0.27 2.23 2.04 -0.86 0.23 117.51 123.33 3g6k h ILE 41 Ca 0.19 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3g6k h ILE 41 Cb 0.23 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3g6k h ILE 41 CO -0.01 0.12 -0.13 -0.07 0.00 0.00 0.00 178.15 178.06 3g6k h LEU 42 N 0.68 -0.31 -0.35 1.44 3.38 -1.00 -0.66 115.31 118.50 3g6k h LEU 42 Ca 0.20 -0.21 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3g6k h LEU 42 Cb -0.03 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3g6k h LEU 42 CO -0.07 0.18 -0.53 0.40 0.09 0.00 0.00 178.44 178.51 3g6k h ILE 43 N -0.93 1.28 0.00 1.22 2.04 -0.84 -0.27 117.51 120.01 3g6k h ILE 43 Ca -0.04 -1.72 -0.27 0.00 1.00 0.00 0.00 64.86 63.83 3g6k h ILE 43 Cb 0.50 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 3g6k h ILE 43 CO 0.06 0.56 -2.04 0.59 0.00 0.00 0.00 178.15 177.32 3g6k n ASN 44 N -4.00 0.30 -0.02 1.72 3.02 0.06 -4.34 115.26 111.99 3g6k n ASN 44 Ca -0.04 0.14 0.01 0.00 -0.03 0.00 0.00 54.58 54.66 3g6k n ASN 44 Cb 0.62 0.81 -0.07 0.00 -0.61 0.00 0.00 39.78 40.52 3g6k n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3g6k n GLU 45 N -2.76 1.32 -0.08 3.52 1.02 -0.81 -4.73 120.64 118.13 3g6k n GLU 45 Ca -0.22 -0.05 -0.08 0.00 -0.02 0.00 0.00 57.16 56.79 3g6k n GLU 45 Cb 1.00 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 31.17 3g6k n GLU 45 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3g6k n THR 46 N -2.05 1.37 0.15 2.62 -1.04 -0.32 -4.44 114.28 110.57 3g6k n THR 46 Ca -0.07 0.18 0.06 0.00 -2.04 0.00 0.00 64.05 62.18 3g6k n THR 46 Cb 0.49 -2.24 0.54 0.00 -1.82 0.00 0.00 70.33 67.30 3g6k n THR 46 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3g6k h PHE 47 N -0.87 0.22 0.00 -1.42 0.04 -1.22 -0.69 116.94 113.00 3g6k h PHE 47 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3g6k h PHE 47 Cb 0.87 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.94 3g6k h PHE 47 CO -0.37 0.15 -0.07 -1.35 -0.60 0.00 0.00 178.31 176.07 3g6k h PRO 48 N 0.23 0.00 0.09 1.51 0.11 -1.82 -3.27 132.00 128.85 3g6k h PRO 48 Ca 0.06 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.82 3g6k h PRO 48 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3g6k h PRO 48 CO -0.01 0.07 -1.99 1.63 -0.21 0.00 0.00 178.00 177.50 3g6k n LYS 49 N -3.34 0.71 -4.34 1.05 5.02 -0.36 -4.95 118.16 111.96 3g6k n LYS 49 Ca -0.01 0.29 -0.19 0.00 -2.02 0.00 0.00 58.31 56.38 3g6k n LYS 49 Cb 0.24 -1.68 -0.15 0.00 -0.02 0.00 0.00 35.03 33.42 3g6k n LYS 49 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3g6k s TRP 50 N -2.52 0.83 0.04 2.13 0.51 -0.66 -5.12 118.94 114.15 3g6k s TRP 50 Ca -0.26 -0.19 -0.31 0.00 -2.12 0.00 0.00 56.10 53.23 3g6k s TRP 50 Cb 0.07 -0.59 -0.06 0.00 -0.81 0.00 0.00 33.47 32.09 3g6k s TRP 50 CO 0.71 -0.07 1.27 0.45 -0.51 0.00 0.00 176.95 178.79 3g6k s SER 51 N 0.11 6.99 0.00 2.95 0.15 -1.26 -4.21 113.70 118.43 3g6k s SER 51 Ca -0.01 2.06 0.20 0.00 0.70 0.00 0.00 55.95 58.89 3g6k s SER 51 Cb -0.07 -2.57 1.19 0.00 -1.71 0.00 0.00 66.02 62.86 3g6k s SER 51 CO 0.00 -0.56 1.77 -0.81 1.20 0.00 0.00 173.24 174.84 3g6k n PRO 52 N 4.35 1.03 -0.02 5.44 -0.04 -1.26 -3.59 135.00 140.91 3g6k n PRO 52 Ca 0.10 -0.04 0.07 0.00 -0.04 0.00 0.00 63.50 63.59 3g6k n PRO 52 Cb 0.45 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.46 3g6k n PRO 52 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g6k n LEU 53 N -0.78 0.00 -0.04 1.53 4.77 -1.26 -4.68 117.00 116.55 3g6k n LEU 53 Ca 0.15 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.16 3g6k n LEU 53 Cb 0.08 0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3g6k n LEU 53 CO 0.11 0.04 0.48 -0.46 -1.33 0.00 0.00 177.39 176.24 3g6k n ASN 54 N -2.14 1.78 0.00 -1.43 0.23 -1.26 -4.96 115.26 107.49 3g6k n ASN 54 Ca -0.06 -2.15 0.00 0.00 -0.53 0.00 0.00 54.58 51.85 3g6k n ASN 54 Cb 0.50 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 3g6k n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g6k n GLY 55 N -0.65 0.70 0.27 4.83 0.00 -1.26 -4.92 105.19 104.16 3g6k n GLY 55 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 3g6k n GLY 55 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g6k h GLU 56 N 3.83 0.00 -5.31 1.61 5.08 -1.74 -3.35 114.58 114.70 3g6k h GLU 56 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3g6k h GLU 56 Cb 0.00 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 28.98 3g6k h GLU 56 CO 0.00 0.05 -0.76 0.42 -1.00 0.00 0.00 179.01 177.72 3g6k s ILE 57 N -4.69 3.08 0.23 3.13 1.01 -1.24 -0.27 121.20 122.46 3g6k s ILE 57 Ca -0.04 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.05 3g6k s ILE 57 Cb 0.15 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3g6k s ILE 57 CO 0.61 0.52 -0.02 -0.55 0.00 0.00 0.00 174.94 175.50 3g6k s SER 58 N 0.36 4.51 -0.23 3.58 0.15 -0.72 -4.70 113.70 116.64 3g6k s SER 58 Ca -0.11 -0.59 -0.03 0.00 0.70 0.00 0.00 55.95 55.92 3g6k s SER 58 Cb -0.16 -0.84 0.01 0.00 -1.71 0.00 0.00 66.02 63.32 3g6k s SER 58 CO 0.05 0.04 -0.06 0.12 1.20 0.00 0.00 173.24 174.60 3g6k s PHE 59 N -2.10 3.00 0.01 3.44 5.36 -0.20 -0.93 117.98 126.57 3g6k s PHE 59 Ca 0.29 -1.27 -0.30 0.00 -0.96 0.00 0.00 56.93 54.69 3g6k s PHE 59 Cb -0.07 -2.08 -0.03 0.00 -0.34 0.00 0.00 43.02 40.49 3g6k s PHE 59 CO 0.19 -0.65 1.01 0.45 -1.46 0.00 0.00 175.22 174.76 3g6k s SER 60 N 1.40 7.32 -0.09 6.13 0.15 0.00 -0.71 113.70 127.90 3g6k s SER 60 Ca 0.03 1.72 -0.04 0.00 0.70 0.00 0.00 55.95 58.36 3g6k s SER 60 Cb -0.15 -2.57 0.05 0.00 -1.71 0.00 0.00 66.02 61.63 3g6k s SER 60 CO -0.04 -0.29 0.20 -0.47 1.20 0.00 0.00 173.24 173.83 3g6k s TYR 61 N 1.02 -0.26 -0.10 3.44 5.04 -0.39 -4.68 117.35 121.43 3g6k s TYR 61 Ca 0.53 0.67 0.14 0.00 -2.44 0.00 0.00 57.07 55.98 3g6k s TYR 61 Cb -0.22 -0.07 0.22 0.00 0.35 0.00 0.00 41.96 42.23 3g6k s TYR 61 CO 0.28 -0.24 1.11 0.27 -1.34 0.00 0.00 175.55 175.64 3g6k n ASN 62 N 4.60 1.78 0.00 4.32 6.94 -1.26 -4.17 115.26 127.47 3g6k n ASN 62 Ca -0.19 -2.81 0.00 0.00 -0.02 0.00 0.00 54.58 51.56 3g6k n ASN 62 Cb 0.51 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3g6k n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3g6k n GLY 63 N -1.08 1.43 3.86 4.83 0.00 -1.26 -4.84 105.19 108.14 3g6k n GLY 63 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3g6k n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g6k s GLY 64 N -1.94 1.69 0.32 -0.02 0.00 -1.26 -4.54 107.32 101.56 3g6k s GLY 64 Ca 0.00 -0.96 0.07 0.00 0.00 0.00 0.00 44.72 43.83 3g6k s GLY 64 CO 0.00 -0.26 1.77 0.07 0.00 0.00 0.00 173.10 174.67 3g6k h LYS 65 N -1.62 0.28 0.03 2.90 2.10 -1.97 -0.27 116.57 118.03 3g6k h LYS 65 Ca -0.46 -0.11 -0.06 0.00 -2.00 0.00 0.00 60.65 58.03 3g6k h LYS 65 Cb 1.28 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3g6k h LYS 65 CO 0.47 0.56 -0.30 -0.44 -2.00 0.00 0.00 179.45 177.74 3g6k h ASP 66 N 0.25 0.11 0.67 7.07 3.32 -1.93 -1.47 116.42 124.44 3g6k h ASP 66 Ca 0.03 -0.95 -0.04 0.00 0.02 0.00 0.00 57.03 56.09 3g6k h ASP 66 Cb 0.66 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3g6k h ASP 66 CO 0.05 1.13 -0.21 0.00 -1.72 0.00 0.00 179.24 178.50 3g6k h GLN 68 N 0.00 0.32 -0.38 0.00 4.15 -1.05 0.11 115.11 118.26 3g6k h GLN 68 Ca -0.00 -0.19 0.07 0.00 0.77 0.00 0.00 58.65 59.29 3g6k h GLN 68 Cb 0.60 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.24 3g6k h GLN 68 CO 0.03 0.76 0.03 0.28 -1.93 0.00 0.00 178.83 178.00 3g6k h VAL 69 N -0.09 0.74 -0.83 2.39 2.07 -1.08 -1.22 116.25 118.23 3g6k h VAL 69 Ca 0.01 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3g6k h VAL 69 Cb 0.73 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3g6k h VAL 69 CO 0.04 0.02 0.55 0.25 0.02 0.00 0.00 177.57 178.45 3g6k h LEU 70 N 0.13 0.96 -0.56 2.57 5.85 -0.96 -1.31 115.31 122.00 3g6k h LEU 70 Ca 0.19 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3g6k h LEU 70 Cb 0.25 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3g6k h LEU 70 CO -0.29 0.70 0.33 0.25 -0.34 0.00 0.00 178.44 179.09 3g6k h LEU 71 N 1.13 0.68 -0.53 2.25 5.85 -0.04 0.32 115.31 124.97 3g6k h LEU 71 Ca 0.30 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3g6k h LEU 71 Cb -0.12 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3g6k h LEU 71 CO -0.06 0.55 0.32 -0.07 -0.34 0.00 0.00 178.44 178.83 3g6k h LEU 72 N 0.75 0.63 -0.75 2.25 3.38 -0.75 0.71 115.31 121.54 3g6k h LEU 72 Ca 0.20 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3g6k h LEU 72 Cb 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3g6k h LEU 72 CO -0.04 0.50 0.03 -0.07 0.09 0.00 0.00 178.44 178.95 3g6k h LEU 73 N 0.71 0.95 -0.39 1.67 3.38 -0.89 -1.14 115.31 119.61 3g6k h LEU 73 Ca 0.19 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3g6k h LEU 73 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3g6k h LEU 73 CO -0.04 0.99 0.08 0.22 0.09 0.00 0.00 178.44 179.79 3g6k h TYR 74 N 0.91 0.66 -0.68 1.13 3.20 0.01 -0.88 116.97 121.32 3g6k h TYR 74 Ca 0.17 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 3g6k h TYR 74 Cb 0.49 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3g6k h TYR 74 CO 0.03 0.65 0.29 -0.07 -1.64 0.00 0.00 178.16 177.43 3g6k h LEU 75 N 0.48 0.89 -0.77 2.82 3.38 -0.73 0.10 115.31 121.49 3g6k h LEU 75 Ca 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3g6k h LEU 75 Cb 0.33 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3g6k h LEU 75 CO 0.00 0.78 0.40 0.77 0.09 0.00 0.00 178.44 180.49 3g6k h SER 76 N 0.97 0.99 0.04 -0.43 4.64 -0.84 -1.16 113.55 117.76 3g6k h SER 76 Ca 0.23 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 3g6k h SER 76 Cb 0.15 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3g6k h SER 76 CO -0.02 0.82 -0.39 0.00 -0.87 0.00 0.00 176.83 176.36 3g6k h LEU 78 N 0.38 1.02 -0.52 0.00 3.38 -0.31 0.67 115.31 119.92 3g6k h LEU 78 Ca 0.04 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3g6k h LEU 78 Cb 0.86 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3g6k h LEU 78 CO 0.07 0.82 0.16 -0.25 0.09 0.00 0.00 178.44 179.34 3g6k h TRP 79 N 1.13 0.85 -0.66 1.13 2.91 -0.83 0.69 115.95 121.15 3g6k h TRP 79 Ca 0.28 -0.09 -0.05 0.00 1.13 0.00 0.00 58.89 60.17 3g6k h TRP 79 Cb 0.04 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 28.41 3g6k h TRP 79 CO 0.00 0.73 0.23 1.49 -1.03 0.00 0.00 178.44 179.87 3g6k h GLU 80 N 0.72 1.02 -0.33 2.65 4.81 -0.98 0.97 114.58 123.43 3g6k h GLU 80 Ca 0.17 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3g6k h GLU 80 Cb 0.28 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3g6k h GLU 80 CO -0.00 0.87 0.15 -0.92 -0.73 0.00 0.00 179.01 178.37 3g6k h TYR 81 N 0.95 0.50 0.07 0.92 3.20 -0.63 -1.19 116.97 120.79 3g6k h TYR 81 Ca 0.22 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3g6k h TYR 81 Cb 0.26 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3g6k h TYR 81 CO 0.02 0.45 -0.17 -0.92 -1.64 0.00 0.00 178.16 175.90 3g6k h TYR 82 N 0.40 -0.45 -0.26 -3.82 5.03 -0.46 0.15 116.97 117.55 3g6k h TYR 82 Ca 0.11 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.43 3g6k h TYR 82 Cb 0.16 0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 3g6k h TYR 82 CO -0.01 -0.25 0.17 0.82 -1.32 0.00 0.00 178.16 177.56 3g6k h ILE 83 N -0.32 1.07 0.04 1.81 1.08 -0.55 -0.32 117.51 120.33 3g6k h ILE 83 Ca 0.03 -0.15 -0.24 0.00 -0.39 0.00 0.00 64.86 64.11 3g6k h ILE 83 Cb 0.35 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 3g6k h ILE 83 CO -0.12 0.07 -1.04 0.58 -0.69 0.00 0.00 178.15 176.96 3g6k h VAL 84 N 0.34 1.43 0.00 1.67 2.07 -1.13 -3.32 116.25 117.30 3g6k h VAL 84 Ca 0.09 -2.63 -0.24 0.00 0.82 0.00 0.00 66.70 64.74 3g6k h VAL 84 Cb -0.02 2.58 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 3g6k h VAL 84 CO -0.02 0.78 -1.97 0.29 0.02 0.00 0.00 177.57 176.67 3g6k n LYS 85 N -3.68 1.53 -0.00 1.57 4.76 0.03 -4.80 118.16 117.56 3g6k n LYS 85 Ca -0.07 -0.02 -0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3g6k n LYS 85 Cb 0.89 -1.37 -0.01 0.00 -1.84 0.00 0.00 35.03 32.70 3g6k n LYS 85 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3g6k n LEU 86 N -2.50 0.00 0.10 -0.35 4.77 -0.27 -4.83 117.00 113.92 3g6k n LEU 86 Ca -0.22 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.59 3g6k n LEU 86 Cb 0.93 0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.92 3g6k n LEU 86 CO 0.31 0.01 -0.00 0.77 -1.33 0.00 0.00 177.39 177.15 3g6k h SER 87 N 0.00 0.58 -3.51 -1.43 4.64 -1.29 -3.40 113.55 109.14 3g6k h SER 87 Ca -0.01 -0.55 -0.53 0.00 -0.47 0.00 0.00 61.79 60.22 3g6k h SER 87 Cb 0.65 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 3g6k h SER 87 CO 0.00 1.40 0.19 -1.10 -0.87 0.00 0.00 176.83 176.44 3g6k s GLN 88 N -2.89 4.56 0.33 4.77 -0.21 -1.26 0.01 119.66 124.98 3g6k s GLN 88 Ca -0.06 1.15 0.04 0.00 0.02 0.00 0.00 55.36 56.51 3g6k s GLN 88 Cb 0.07 -3.29 0.06 0.00 1.00 0.00 0.00 33.01 30.85 3g6k s GLN 88 CO 0.89 0.49 0.45 -1.13 -2.12 0.00 0.00 175.29 173.88 3g6k n SER 89 N 1.92 1.01 0.07 5.90 3.41 -1.04 -4.80 113.62 120.08 3g6k n SER 89 Ca -0.05 -1.76 0.09 0.00 -0.26 0.00 0.00 58.87 56.90 3g6k n SER 89 Cb 0.49 -0.26 0.40 0.00 -0.26 0.00 0.00 64.21 64.59 3g6k n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g6k n GLN 90 N -1.75 0.10 -5.11 4.33 3.00 -1.26 -4.73 117.38 111.96 3g6k n GLN 90 Ca 0.09 0.36 -0.32 0.00 -0.01 0.00 0.00 57.00 57.11 3g6k n GLN 90 Cb 0.32 -1.71 -0.16 0.00 0.00 0.00 0.00 30.24 28.69 3g6k n GLN 90 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3g6k s PHE 91 N -3.18 2.61 -0.09 1.08 0.08 -1.26 -5.09 117.98 112.14 3g6k s PHE 91 Ca 0.05 -0.89 -0.39 0.00 0.12 0.00 0.00 56.93 55.83 3g6k s PHE 91 Cb 0.09 -1.73 -0.17 0.00 -0.57 0.00 0.00 43.02 40.65 3g6k s PHE 91 CO 0.32 -0.33 1.48 -3.47 -0.10 0.00 0.00 175.22 173.12 3g6k n ASP 92 N 3.42 1.75 0.00 1.36 2.03 -1.26 -2.13 116.55 121.72 3g6k n ASP 92 Ca -0.19 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.23 3g6k n ASP 92 Cb 0.53 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 3g6k n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3g6k n GLY 93 N 3.12 0.76 3.24 0.27 0.00 -1.26 -5.03 105.19 106.29 3g6k n GLY 93 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3g6k n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g6k s LYS 94 N -0.72 3.23 0.26 1.61 2.47 -0.90 -5.11 119.74 120.57 3g6k s LYS 94 Ca 0.00 -0.70 0.10 0.00 -1.56 0.00 0.00 55.97 53.81 3g6k s LYS 94 Cb 0.00 -2.84 -0.05 0.00 -1.46 0.00 0.00 37.83 33.48 3g6k s LYS 94 CO 0.00 -0.20 -0.10 -0.06 0.16 0.00 0.00 175.35 175.15 3g6k s PHE 95 N 1.40 2.52 -0.12 4.03 0.08 -1.26 -2.50 117.98 122.13 3g6k s PHE 95 Ca 0.05 -0.27 -0.10 0.00 0.12 0.00 0.00 56.93 56.73 3g6k s PHE 95 Cb -0.14 -1.12 -0.05 0.00 -0.57 0.00 0.00 43.02 41.14 3g6k s PHE 95 CO -0.07 0.64 0.21 -1.01 -0.10 0.00 0.00 175.22 174.90 3g6k s HIS 96 N -2.31 3.57 0.75 0.36 3.76 0.10 -4.91 115.29 116.62 3g6k s HIS 96 Ca 0.30 0.60 -0.11 0.00 -0.15 0.00 0.00 55.06 55.70 3g6k s HIS 96 Cb -0.06 -2.10 0.04 0.00 1.11 0.00 0.00 32.58 31.57 3g6k s HIS 96 CO 0.17 0.57 1.08 -0.98 -0.85 0.00 0.00 174.74 174.73 3g6k s ARG 97 N -0.59 2.47 -0.03 1.40 1.70 -1.26 -4.60 118.95 118.04 3g6k s ARG 97 Ca 0.16 0.95 -0.34 0.00 -0.47 0.00 0.00 55.73 56.02 3g6k s ARG 97 Cb -0.13 -1.94 -0.13 0.00 -0.57 0.00 0.00 34.95 32.19 3g6k s ARG 97 CO 0.05 -1.43 1.78 0.34 -1.08 0.00 0.00 175.30 174.96 3g6k n PHE 98 N -3.35 2.28 0.21 5.89 -0.00 -1.26 -4.87 117.46 116.36 3g6k n PHE 98 Ca 0.08 0.11 0.11 0.00 -0.00 0.00 0.00 57.45 57.75 3g6k n PHE 98 Cb 0.54 -2.61 0.17 0.00 -0.00 0.00 0.00 39.48 37.57 3g6k n PHE 98 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3g6k h PRO 99 N 8.13 0.00 -5.52 -7.13 0.13 -1.99 -3.46 132.00 122.16 3g6k h PRO 99 Ca -0.47 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.01 3g6k h PRO 99 Cb 1.27 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 3g6k h PRO 99 CO 0.93 0.06 -0.57 -1.17 -0.23 0.00 0.00 178.00 177.01 3g6k s LEU 100 N -6.24 3.81 -0.12 1.56 2.96 -1.26 -4.99 118.68 114.40 3g6k s LEU 100 Ca 0.06 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 3g6k s LEU 100 Cb 0.05 -1.93 -0.24 0.00 0.50 0.00 0.00 46.19 44.57 3g6k s LEU 100 CO 0.67 0.26 0.36 0.41 -1.32 0.00 0.00 176.35 176.74 3g6k n THR 101 N 2.92 1.68 -3.95 3.68 -1.04 -1.26 -4.53 114.28 111.78 3g6k n THR 101 Ca -0.18 -0.70 -0.10 0.00 -2.04 0.00 0.00 64.05 61.04 3g6k n THR 101 Cb 0.53 -1.43 -0.11 0.00 -1.82 0.00 0.00 70.33 67.50 3g6k n THR 101 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3g6k s LYS 102 N -2.56 0.29 -0.29 -2.82 -0.14 -1.26 -4.18 119.74 108.78 3g6k s LYS 102 Ca -0.18 -0.49 -0.16 0.00 -1.36 0.00 0.00 55.97 53.77 3g6k s LYS 102 Cb 0.07 0.11 -0.03 0.00 -1.68 0.00 0.00 37.83 36.30 3g6k s LYS 102 CO 0.77 -0.05 0.43 -1.17 -0.76 0.00 0.00 175.35 174.57 3g6k s LEU 103 N -1.24 4.12 0.11 3.17 2.96 -0.26 -4.72 118.68 122.83 3g6k s LEU 103 Ca -0.14 0.25 -0.31 0.00 -0.22 0.00 0.00 54.13 53.71 3g6k s LEU 103 Cb -0.08 -2.50 -0.10 0.00 0.50 0.00 0.00 46.19 44.01 3g6k s LEU 103 CO -0.01 -0.27 1.82 -2.84 -1.32 0.00 0.00 176.35 173.74 3g6k s PRO 104 N 2.17 4.14 0.03 0.98 0.02 -1.26 -0.43 135.00 140.66 3g6k s PRO 104 Ca 0.17 2.57 0.02 0.00 0.02 0.00 0.00 61.00 63.78 3g6k s PRO 104 Cb -0.16 -3.62 -0.02 0.00 0.02 0.00 0.00 34.50 30.72 3g6k s PRO 104 CO 0.10 -0.84 -0.07 0.99 -0.33 0.00 0.00 177.00 176.86 3g6k s THR 105 N 2.81 0.47 -0.04 0.99 2.01 -0.27 -1.03 115.64 120.57 3g6k s THR 105 Ca 0.81 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.84 3g6k s THR 105 Cb -0.45 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 71.54 3g6k s THR 105 CO 0.36 -0.35 -0.04 0.54 -0.69 0.00 0.00 174.62 174.44 3g6k s VAL 106 N -1.27 0.51 -0.10 3.82 0.11 0.11 -0.97 120.40 122.61 3g6k s VAL 106 Ca -0.10 -0.10 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 3g6k s VAL 106 Cb -0.09 -0.55 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 3g6k s VAL 106 CO 0.00 0.22 -0.14 0.12 -3.33 0.00 0.00 175.10 171.98 3g6k s PHE 107 N 0.97 1.82 -0.46 1.54 5.36 0.23 -1.26 117.98 126.17 3g6k s PHE 107 Ca -0.10 -0.84 -0.21 0.00 -0.96 0.00 0.00 56.93 54.81 3g6k s PHE 107 Cb -0.14 -1.34 0.03 0.00 -0.34 0.00 0.00 43.02 41.23 3g6k s PHE 107 CO -0.00 -0.45 0.70 0.42 -1.46 0.00 0.00 175.22 174.43 3g6k s ILE 108 N 1.05 4.75 0.20 3.12 -1.09 -1.26 -1.58 121.20 126.39 3g6k s ILE 108 Ca -0.06 0.14 -0.05 0.00 -2.23 0.00 0.00 60.65 58.45 3g6k s ILE 108 Cb -0.15 -4.27 -0.06 0.00 -1.58 0.00 0.00 42.46 36.40 3g6k s ILE 108 CO -0.02 -0.69 0.45 -0.62 -1.23 0.00 0.00 174.94 172.83 3g6k s ASP 109 N 2.18 6.50 0.05 3.58 2.15 -1.26 -4.91 116.67 124.95 3g6k s ASP 109 Ca 0.24 0.67 -0.03 0.00 0.43 0.00 0.00 52.55 53.86 3g6k s ASP 109 Cb -0.14 -2.12 -0.02 0.00 -0.30 0.00 0.00 42.92 40.33 3g6k s ASP 109 CO 0.19 -0.03 0.04 -1.00 -0.17 0.00 0.00 175.17 174.20 3g6k s HIS 110 N -1.80 0.34 0.41 -5.34 3.76 -1.26 -4.25 115.29 107.15 3g6k s HIS 110 Ca 0.43 -0.77 0.12 0.00 -0.15 0.00 0.00 55.06 54.69 3g6k s HIS 110 Cb -0.11 -0.24 0.86 0.00 1.11 0.00 0.00 32.58 34.19 3g6k s HIS 110 CO 0.25 -0.38 1.93 0.38 -0.85 0.00 0.00 174.74 176.07 3g6k h ASP 111 N 3.38 0.07 -0.68 1.40 3.04 -1.65 -2.53 116.42 119.45 3g6k h ASP 111 Ca -0.33 -0.02 -0.20 0.00 -3.24 0.00 0.00 57.03 53.24 3g6k h ASP 111 Cb 1.17 -0.02 -0.12 0.00 -1.04 0.00 0.00 39.33 39.32 3g6k h ASP 111 CO 0.57 0.29 0.26 -0.90 -2.04 0.00 0.00 179.24 177.43 3g6k n ASP 112 N -4.25 4.59 -4.79 4.15 5.75 -1.26 -4.92 116.55 115.81 3g6k n ASP 112 Ca -0.02 -3.10 -0.38 0.00 -0.01 0.00 0.00 54.79 51.28 3g6k n ASP 112 Cb 0.29 -0.73 -0.06 0.00 -1.03 0.00 0.00 41.12 39.59 3g6k n ASP 112 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g6k s THR 113 N -2.75 4.32 0.24 2.12 2.01 -0.96 -0.91 115.64 119.72 3g6k s THR 113 Ca 0.50 1.68 -0.31 0.00 0.31 0.00 0.00 61.69 63.87 3g6k s THR 113 Cb 0.40 -4.03 -0.13 0.00 0.01 0.00 0.00 72.50 68.75 3g6k s THR 113 CO 0.12 0.28 1.56 0.49 -0.69 0.00 0.00 174.62 176.39 3g6k n PHE 114 N 0.93 2.55 -0.25 4.92 3.72 -1.26 -4.84 117.46 123.23 3g6k n PHE 114 Ca -0.01 0.27 0.10 0.00 -0.05 0.00 0.00 57.45 57.76 3g6k n PHE 114 Cb 0.50 -2.56 0.36 0.00 -0.94 0.00 0.00 39.48 36.83 3g6k n PHE 114 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3g6k h LYS 115 N 5.16 0.71 -0.83 -1.08 1.63 -1.96 -1.05 116.57 119.15 3g6k h LYS 115 Ca -0.45 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.30 3g6k h LYS 115 Cb 1.24 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 32.67 3g6k h LYS 115 CO 0.83 0.47 0.49 1.15 -3.45 0.00 0.00 179.45 178.94 3g6k h THR 116 N 0.73 1.23 -0.17 1.00 2.02 -1.90 -0.83 112.91 114.99 3g6k h THR 116 Ca 0.41 -0.51 -0.15 0.00 0.77 0.00 0.00 66.41 66.93 3g6k h THR 116 Cb 0.57 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3g6k h THR 116 CO -0.17 0.24 -0.48 0.25 0.37 0.00 0.00 175.52 175.73 3g6k h LEU 117 N 1.14 0.72 -0.51 2.58 5.85 -1.60 -1.33 115.31 122.16 3g6k h LEU 117 Ca 0.30 -0.58 0.05 0.00 0.84 0.00 0.00 57.88 58.48 3g6k h LEU 117 Cb -0.04 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 3g6k h LEU 117 CO -0.05 1.18 0.25 -0.33 -0.34 0.00 0.00 178.44 179.14 3g6k h GLU 118 N 0.30 0.47 -0.72 1.25 4.39 -0.88 0.50 114.58 119.90 3g6k h GLU 118 Ca -0.01 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 3g6k h GLU 118 Cb 1.10 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.61 3g6k h GLU 118 CO 0.10 0.31 0.19 -0.91 -1.16 0.00 0.00 179.01 177.54 3g6k h ASN 119 N 0.48 1.07 -0.50 1.42 2.35 -1.11 -1.45 115.58 117.84 3g6k h ASN 119 Ca 0.23 -0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 3g6k h ASN 119 Cb 0.15 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3g6k h ASN 119 CO -0.17 1.01 -0.04 0.15 -1.65 0.00 0.00 177.43 176.73 3g6k h PHE 120 N 1.08 1.01 -0.48 1.19 3.57 -0.54 -0.59 116.94 122.18 3g6k h PHE 120 Ca 0.23 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.55 3g6k h PHE 120 Cb 0.35 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3g6k h PHE 120 CO 0.03 0.95 0.31 0.82 -2.23 0.00 0.00 178.31 178.19 3g6k h ILE 121 N 0.78 1.11 -0.32 1.41 2.04 -0.69 0.29 117.51 122.13 3g6k h ILE 121 Ca 0.14 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3g6k h ILE 121 Cb 0.57 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3g6k h ILE 121 CO 0.03 0.12 0.12 -0.33 0.00 0.00 0.00 178.15 178.09 3g6k h GLU 122 N 0.64 0.48 -0.13 2.37 5.08 -0.96 0.05 114.58 122.12 3g6k h GLU 122 Ca 0.18 -0.09 -0.21 0.00 -1.00 0.00 0.00 59.36 58.24 3g6k h GLU 122 Cb -0.06 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3g6k h GLU 122 CO -0.05 0.49 -0.75 0.93 -1.00 0.00 0.00 179.01 178.63 3g6k h GLU 123 N 0.36 0.63 0.00 2.33 5.08 -0.96 -2.70 114.58 119.32 3g6k h GLU 123 Ca 0.10 -0.51 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 3g6k h GLU 123 Cb 0.20 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3g6k h GLU 123 CO -0.01 1.13 -0.42 1.79 -1.00 0.00 0.00 179.01 180.51 3g6k h THR 124 N 0.43 0.93 -0.91 1.13 1.35 -0.93 -1.45 112.91 113.48 3g6k h THR 124 Ca -0.04 -1.67 0.02 0.00 -0.55 0.00 0.00 66.41 64.17 3g6k h THR 124 Cb 1.35 2.01 -0.05 0.00 -1.73 0.00 0.00 68.15 69.74 3g6k h THR 124 CO 0.14 0.41 0.60 0.28 -0.25 0.00 0.00 175.52 176.70 3g6k h SER 125 N 0.00 1.02 -0.33 5.36 0.02 -0.80 -0.33 113.55 118.49 3g6k h SER 125 Ca -0.00 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3g6k h SER 125 Cb 0.98 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 3g6k h SER 125 CO 0.05 0.73 0.09 -0.07 -1.14 0.00 0.00 176.83 176.49 3g6k h LEU 126 N 1.20 0.50 -0.64 5.07 3.38 -1.16 -0.82 115.31 122.85 3g6k h LEU 126 Ca 0.34 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3g6k h LEU 126 Cb -0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3g6k h LEU 126 CO -0.08 0.59 0.40 -0.09 0.09 0.00 0.00 178.44 179.35 3g6k h ARG 127 N 0.38 0.85 -0.52 1.13 2.43 -0.71 -3.01 114.38 114.93 3g6k h ARG 127 Ca 0.10 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3g6k h ARG 127 Cb 0.29 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3g6k h ARG 127 CO 0.00 0.59 0.00 0.66 -1.51 0.00 0.00 179.97 179.71 3g6k n TYR 128 N -4.61 0.69 -3.74 2.20 4.01 -0.18 -2.61 117.16 112.91 3g6k n TYR 128 Ca 0.05 -0.34 -0.22 0.00 -0.16 0.00 0.00 57.90 57.22 3g6k n TYR 128 Cb 0.04 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.10 3g6k n TYR 128 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3g6k n SER 129 N 1.27 -1.18 -4.81 7.72 7.64 -0.74 -4.70 113.62 118.83 3g6k n SER 129 Ca 0.20 -0.84 -0.36 0.00 1.01 0.00 0.00 58.87 58.88 3g6k n SER 129 Cb 0.53 -3.94 -0.06 0.00 -1.01 0.00 0.00 64.21 59.73 3g6k n SER 129 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g6k s LEU 130 N -6.73 4.36 -0.59 -3.43 1.43 -0.39 -1.10 118.68 112.24 3g6k s LEU 130 Ca 0.03 1.49 -0.17 0.00 -1.03 0.00 0.00 54.13 54.45 3g6k s LEU 130 Cb -0.01 -3.62 0.13 0.00 0.03 0.00 0.00 46.19 42.72 3g6k s LEU 130 CO 0.82 0.03 0.60 -0.55 0.23 0.00 0.00 176.35 177.49 3g6k s SER 131 N -1.61 6.24 -0.37 2.29 0.15 0.43 -4.70 113.70 116.14 3g6k s SER 131 Ca 0.43 -1.76 -0.19 0.00 0.70 0.00 0.00 55.95 55.13 3g6k s SER 131 Cb -0.17 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 3g6k s SER 131 CO 0.22 -0.92 0.58 -0.22 1.20 0.00 0.00 173.24 174.09 3g6k s LEU 132 N 1.86 4.34 -0.01 3.45 2.96 -1.26 -1.12 118.68 128.90 3g6k s LEU 132 Ca 0.08 -0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 53.74 3g6k s LEU 132 Cb -0.26 -2.69 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 3g6k s LEU 132 CO 0.03 -0.57 0.71 -0.47 -1.32 0.00 0.00 176.35 174.72 3g6k s TYR 133 N 2.58 3.66 -0.06 5.38 5.04 -0.14 -5.00 117.35 128.81 3g6k s TYR 133 Ca 0.21 1.33 0.06 0.00 -2.44 0.00 0.00 57.07 56.23 3g6k s TYR 133 Cb -0.15 -2.77 -0.01 0.00 0.35 0.00 0.00 41.96 39.38 3g6k s TYR 133 CO 0.15 0.21 -0.24 -1.21 -1.34 0.00 0.00 175.55 173.12 3g6k s GLU 134 N 0.28 2.50 0.96 4.97 2.02 -1.26 -0.60 118.70 127.56 3g6k s GLU 134 Ca 0.37 -0.88 -0.12 0.00 0.02 0.00 0.00 54.97 54.35 3g6k s GLU 134 Cb -0.19 -2.11 0.17 0.00 0.10 0.00 0.00 34.13 32.10 3g6k s GLU 134 CO 0.20 0.36 1.11 -1.54 0.02 0.00 0.00 175.26 175.41 3g6k s SER 135 N -0.13 2.98 -0.31 -0.19 1.04 -0.61 -4.94 113.70 111.54 3g6k s SER 135 Ca -0.04 1.09 -0.29 0.00 0.48 0.00 0.00 55.95 57.20 3g6k s SER 135 Cb -0.14 -1.72 -0.01 0.00 0.10 0.00 0.00 66.02 64.25 3g6k s SER 135 CO 0.04 -2.89 1.58 -0.62 0.98 0.00 0.00 173.24 172.32 3g6k s ASP 136 N -3.69 6.27 0.47 7.02 -1.08 -1.26 -4.31 116.67 120.08 3g6k s ASP 136 Ca 0.65 1.28 0.13 0.00 -0.52 0.00 0.00 52.55 54.09 3g6k s ASP 136 Cb -0.17 -2.53 1.09 0.00 -1.46 0.00 0.00 42.92 39.84 3g6k s ASP 136 CO 0.56 -1.41 2.07 -0.09 0.52 0.00 0.00 175.17 176.82 3g6k h ARG 137 N 11.14 0.12 -0.19 4.34 2.43 -1.93 -2.86 114.38 127.44 3g6k h ARG 137 Ca -0.31 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3g6k h ARG 137 Cb 1.14 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3g6k h ARG 137 CO 1.04 0.14 0.00 -0.25 -1.51 0.00 0.00 179.97 179.39 3g6k n ASP 138 N -4.45 2.89 -4.72 -3.80 8.00 -1.26 -1.58 116.55 111.62 3g6k n ASP 138 Ca -0.02 -1.86 -0.40 0.00 0.71 0.00 0.00 54.79 53.22 3g6k n ASP 138 Cb 0.14 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.08 3g6k n ASP 138 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3g6k s LYS 139 N -1.44 4.47 -0.46 -1.24 2.20 -1.08 -5.01 119.74 117.18 3g6k s LYS 139 Ca 0.27 1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 56.62 3g6k s LYS 139 Cb 0.17 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 33.08 3g6k s LYS 139 CO 0.25 0.07 1.31 0.00 -0.36 0.00 0.00 175.35 176.62 3g6k s GLU 141 N 4.83 1.04 0.82 0.00 -1.05 -1.26 -5.13 118.70 117.96 3g6k s GLU 141 Ca 0.55 0.13 -0.11 0.00 -0.15 0.00 0.00 54.97 55.40 3g6k s GLU 141 Cb -0.11 0.49 0.09 0.00 -0.44 0.00 0.00 34.13 34.16 3g6k s GLU 141 CO 0.32 -0.35 1.09 0.95 0.95 0.00 0.00 175.26 178.22 3g6k s THR 142 N -1.59 3.05 0.24 1.83 -4.23 -1.26 -4.84 115.64 108.84 3g6k s THR 142 Ca -0.08 0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 60.72 3g6k s THR 142 Cb -0.00 -2.81 0.22 0.00 1.34 0.00 0.00 72.50 71.24 3g6k s THR 142 CO 0.06 -0.44 1.86 -0.03 -0.54 0.00 0.00 174.62 175.52 3g6k h MET 143 N -1.31 0.98 -0.79 3.99 4.05 -2.01 -0.79 114.93 119.05 3g6k h MET 143 Ca -0.46 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 3g6k h MET 143 Cb 1.25 -0.22 -0.04 0.00 -0.80 0.00 0.00 31.60 31.79 3g6k h MET 143 CO 0.52 0.65 0.50 0.00 0.23 0.00 0.00 176.91 178.81 3g6k h ALA 144 N 1.40 1.01 -0.63 0.39 0.00 -1.92 -0.56 119.26 118.94 3g6k h ALA 144 Ca 0.38 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3g6k h ALA 144 Cb 0.15 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3g6k h ALA 144 CO -0.16 0.45 0.08 0.93 0.00 0.00 0.00 179.25 180.54 3g6k h GLU 145 N 1.08 1.05 -0.72 0.00 5.08 -1.73 -0.14 114.58 119.20 3g6k h GLU 145 Ca 0.29 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3g6k h GLU 145 Cb -0.08 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3g6k h GLU 145 CO -0.06 0.98 0.34 0.00 -1.00 0.00 0.00 179.01 179.27 3g6k h ALA 146 N 1.10 1.24 0.00 3.43 0.00 -0.57 -2.29 119.26 122.17 3g6k h ALA 146 Ca 0.19 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3g6k h ALA 146 Cb 0.45 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3g6k h ALA 146 CO 0.02 0.58 -0.60 0.74 0.00 0.00 0.00 179.25 179.99 3g6k h PHE 147 N 1.02 0.00 -0.57 0.00 0.04 -0.76 -1.71 116.94 114.97 3g6k h PHE 147 Ca 0.25 0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.02 3g6k h PHE 147 Cb 0.11 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 3g6k h PHE 147 CO 0.01 0.60 0.37 1.49 -0.60 0.00 0.00 178.31 180.18 3g6k h GLU 148 N 0.00 0.74 -0.51 1.51 4.57 -0.49 0.50 114.58 120.90 3g6k h GLU 148 Ca -0.01 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 3g6k h GLU 148 Cb 1.10 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 3g6k h GLU 148 CO 0.08 0.49 0.25 1.15 -1.18 0.00 0.00 179.01 179.80 3g6k h THR 149 N 0.76 1.19 -0.77 0.32 2.02 -1.22 -1.76 112.91 113.45 3g6k h THR 149 Ca 0.21 -0.54 0.07 0.00 0.77 0.00 0.00 66.41 66.91 3g6k h THR 149 Cb -0.08 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 66.88 3g6k h THR 149 CO -0.05 0.21 0.46 0.15 0.37 0.00 0.00 175.52 176.66 3g6k h PHE 150 N 0.68 0.84 0.00 3.16 3.57 -0.82 -1.79 116.94 122.58 3g6k h PHE 150 Ca 0.18 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 3g6k h PHE 150 Cb 0.11 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3g6k h PHE 150 CO -0.01 0.40 -0.38 -0.07 -2.23 0.00 0.00 178.31 176.02 3g6k h LEU 151 N 0.82 0.00 -0.64 0.59 -0.00 -0.55 -0.45 115.31 115.09 3g6k h LEU 151 Ca 0.35 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 58.09 3g6k h LEU 151 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.86 3g6k h LEU 151 CO -0.19 0.38 -0.36 1.56 -0.00 0.00 0.00 178.44 179.84 3g6k h GLN 152 N 0.00 0.67 -0.21 1.13 4.20 -0.52 -2.23 115.11 118.15 3g6k h GLN 152 Ca -0.00 -0.32 -0.18 0.00 0.06 0.00 0.00 58.65 58.20 3g6k h GLN 152 Cb 0.82 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 3g6k h GLN 152 CO 0.05 0.93 -0.60 0.28 -0.67 0.00 0.00 178.83 178.81 3g6k h VAL 153 N 0.56 1.30 -2.18 -0.54 2.07 -0.94 -3.37 116.25 113.15 3g6k h VAL 153 Ca 0.06 -1.83 -0.59 0.00 0.82 0.00 0.00 66.70 65.15 3g6k h VAL 153 Cb 0.88 1.78 -0.41 0.00 -1.52 0.00 0.00 31.29 32.01 3g6k h VAL 153 CO 0.08 0.58 -0.71 0.49 0.02 0.00 0.00 177.57 178.03 3g6k n PHE 154 N -3.96 2.70 0.50 1.57 3.72 -0.22 -4.93 117.46 116.83 3g6k n PHE 154 Ca -0.04 -4.02 0.07 0.00 -0.05 0.00 0.00 57.45 53.40 3g6k n PHE 154 Cb 0.65 -0.51 0.30 0.00 -0.94 0.00 0.00 39.48 38.99 3g6k n PHE 154 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3g6k n PRO 155 N 1.03 0.01 0.07 -1.08 -0.04 -0.84 -1.52 135.00 132.64 3g6k n PRO 155 Ca 0.28 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 64.10 3g6k n PRO 155 Cb 0.44 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.84 3g6k n PRO 155 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3g6k n GLU 156 N -1.48 0.13 -2.06 0.54 0.00 -1.26 -4.82 120.64 111.69 3g6k n GLU 156 Ca 0.04 0.27 -0.42 0.00 0.00 0.00 0.00 57.16 57.05 3g6k n GLU 156 Cb 0.16 -1.71 -0.03 0.00 0.00 0.00 0.00 31.44 29.86 3g6k n GLU 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3g6k s THR 157 N -3.15 3.29 -0.04 3.84 2.01 -0.58 -4.24 115.64 116.78 3g6k s THR 157 Ca 0.08 0.75 0.09 0.00 0.31 0.00 0.00 61.69 62.91 3g6k s THR 157 Cb 0.11 -3.48 -0.13 0.00 0.01 0.00 0.00 72.50 69.01 3g6k s THR 157 CO 0.43 0.01 0.14 0.29 -0.69 0.00 0.00 174.62 174.79 3g6k n LYS 158 N 5.28 1.17 -3.71 4.92 4.76 0.63 -4.98 118.16 126.22 3g6k n LYS 158 Ca 0.14 -0.05 -0.14 0.00 -2.87 0.00 0.00 58.31 55.39 3g6k n LYS 158 Cb 0.42 -1.22 -0.09 0.00 -1.84 0.00 0.00 35.03 32.30 3g6k n LYS 158 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3g6k s ALA 159 N -2.48 -1.02 -0.04 7.82 0.00 -0.72 -1.24 121.76 124.08 3g6k s ALA 159 Ca -0.04 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.68 3g6k s ALA 159 Cb 0.05 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3g6k s ALA 159 CO 0.37 -0.26 -0.07 0.42 0.00 0.00 0.00 175.76 176.22 3g6k s ILE 160 N -0.83 0.69 0.16 0.00 1.01 -0.11 -1.76 121.20 120.35 3g6k s ILE 160 Ca -0.09 -0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.04 3g6k s ILE 160 Cb -0.04 -0.65 -0.08 0.00 0.01 0.00 0.00 42.46 41.70 3g6k s ILE 160 CO 0.04 0.24 0.80 -0.69 0.00 0.00 0.00 174.94 175.33 3g6k s VAL 161 N 0.56 4.39 -0.02 2.92 1.01 -0.10 -0.88 120.40 128.28 3g6k s VAL 161 Ca -0.08 1.76 0.01 0.00 0.00 0.00 0.00 61.98 63.66 3g6k s VAL 161 Cb -0.12 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.10 3g6k s VAL 161 CO 0.01 0.49 -0.03 -0.63 0.00 0.00 0.00 175.10 174.94 3g6k s ILE 162 N -0.95 0.30 -0.27 2.22 1.01 0.09 -0.82 121.20 122.79 3g6k s ILE 162 Ca 0.37 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.95 3g6k s ILE 162 Cb -0.23 -0.31 0.30 0.00 0.01 0.00 0.00 42.46 42.23 3g6k s ILE 162 CO 0.27 0.12 1.66 0.61 0.00 0.00 0.00 174.94 177.60 3g6k n GLY 163 N 3.48 3.59 3.79 6.18 0.00 -1.26 -4.36 105.19 116.61 3g6k n GLY 163 Ca -0.19 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 3g6k n GLY 163 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3g6k s ILE 164 N -1.93 3.56 0.17 -0.61 2.07 -1.26 -4.45 121.20 118.74 3g6k s ILE 164 Ca 0.30 0.98 0.09 0.00 -1.41 0.00 0.00 60.65 60.61 3g6k s ILE 164 Cb 0.25 -3.40 -0.04 0.00 0.13 0.00 0.00 42.46 39.40 3g6k s ILE 164 CO 0.03 -0.20 -0.20 -0.13 -1.91 0.00 0.00 174.94 172.53 3g6k s ARG 165 N -3.23 1.32 0.54 3.50 0.52 -1.26 -3.50 118.95 116.84 3g6k s ARG 165 Ca 0.69 -1.42 0.22 0.00 -0.52 0.00 0.00 55.73 54.70 3g6k s ARG 165 Cb -0.19 -1.45 1.42 0.00 0.52 0.00 0.00 34.95 35.25 3g6k s ARG 165 CO 0.23 0.30 2.10 0.45 0.02 0.00 0.00 175.30 178.40 3g6k h HIS 166 N 3.29 0.00 0.00 -0.53 3.86 -1.18 -0.72 115.15 119.88 3g6k h HIS 166 Ca -0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 3g6k h HIS 166 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 3g6k h HIS 166 CO 0.68 0.00 0.00 0.25 0.86 0.00 0.00 177.93 179.72 3g6k n THR 167 N -4.30 0.62 -1.59 2.45 -2.24 -1.26 -3.37 114.28 104.59 3g6k n THR 167 Ca 0.02 0.14 -0.31 0.00 -2.27 0.00 0.00 64.05 61.63 3g6k n THR 167 Cb 0.29 -0.82 0.05 0.00 -2.10 0.00 0.00 70.33 67.75 3g6k n THR 167 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3g6k s ASP 168 N -3.11 5.43 0.24 3.42 1.01 -0.28 -4.92 116.67 118.47 3g6k s ASP 168 Ca 0.09 1.61 -0.31 0.00 0.71 0.00 0.00 52.55 54.65 3g6k s ASP 168 Cb 0.13 -2.49 -0.13 0.00 1.01 0.00 0.00 42.92 41.43 3g6k s ASP 168 CO 0.38 -1.41 1.42 -2.65 0.21 0.00 0.00 175.17 173.12 3g6k n PRO 169 N -3.10 2.06 -1.93 8.23 -0.02 -1.26 -0.58 135.00 138.40 3g6k n PRO 169 Ca 0.07 0.73 -0.20 0.00 -2.02 0.00 0.00 63.50 62.09 3g6k n PRO 169 Cb 0.54 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 3g6k n PRO 169 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3g6k n PHE 170 N 1.98 -0.47 0.68 6.00 3.01 -1.26 -4.87 117.46 122.54 3g6k n PHE 170 Ca 0.12 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.70 3g6k n PHE 170 Cb 0.31 -3.57 0.25 0.00 -0.01 0.00 0.00 39.48 36.47 3g6k n PHE 170 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g6k n GLY 171 N -0.63 -1.44 0.28 1.37 0.00 0.25 -4.33 105.19 100.69 3g6k n GLY 171 Ca -0.22 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3g6k n GLY 171 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g6k h GLU 172 N 0.00 0.72 -0.60 1.61 4.81 -1.77 -2.85 114.58 116.49 3g6k h GLU 172 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3g6k h GLU 172 Cb 0.69 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3g6k h GLU 172 CO 0.00 0.48 0.00 0.72 -0.73 0.00 0.00 179.01 179.48 3g6k n HIS 173 N -4.76 1.73 -1.88 0.92 8.25 -1.26 -4.95 115.22 113.26 3g6k n HIS 173 Ca 0.11 -0.67 -0.32 0.00 -0.26 0.00 0.00 57.72 56.58 3g6k n HIS 173 Cb 0.22 -0.36 0.02 0.00 1.12 0.00 0.00 29.99 30.99 3g6k n HIS 173 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3g6k s LEU 174 N -2.28 3.35 0.12 2.41 1.43 -1.08 -5.07 118.68 117.57 3g6k s LEU 174 Ca 0.52 1.69 0.05 0.00 -1.03 0.00 0.00 54.13 55.37 3g6k s LEU 174 Cb 0.37 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 3g6k s LEU 174 CO 0.20 -1.21 -0.13 -0.54 0.23 0.00 0.00 176.35 174.91 3g6k s LYS 175 N -4.52 1.00 0.51 1.70 -0.14 -1.26 -5.05 119.74 111.98 3g6k s LYS 175 Ca 0.60 -1.24 0.16 0.00 -1.36 0.00 0.00 55.97 54.13 3g6k s LYS 175 Cb -0.14 -0.82 1.26 0.00 -1.68 0.00 0.00 37.83 36.44 3g6k s LYS 175 CO 0.44 0.15 2.14 -1.35 -0.76 0.00 0.00 175.35 175.97 3g6k h PRO 176 N 3.46 0.03 -3.54 -1.68 0.11 -1.92 -3.39 132.00 125.07 3g6k h PRO 176 Ca -0.39 -0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.26 3g6k h PRO 176 Cb 1.19 -0.01 -0.39 0.00 0.11 0.00 0.00 31.00 31.91 3g6k h PRO 176 CO 0.52 0.02 -0.76 0.42 -0.21 0.00 0.00 178.00 177.99 3g6k s ILE 177 N -5.09 0.31 -0.04 4.15 1.01 -1.26 -0.27 121.20 120.01 3g6k s ILE 177 Ca -0.05 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 3g6k s ILE 177 Cb 0.17 -0.64 0.09 0.00 0.01 0.00 0.00 42.46 42.09 3g6k s ILE 177 CO 0.68 0.05 0.77 0.00 0.00 0.00 0.00 174.94 176.44 3g6k s GLN 178 N 1.98 0.94 0.70 2.79 -2.07 -0.68 -4.99 119.66 118.33 3g6k s GLN 178 Ca 0.03 0.06 -0.15 0.00 -1.82 0.00 0.00 55.36 53.47 3g6k s GLN 178 Cb -0.14 0.44 0.02 0.00 -1.09 0.00 0.00 33.01 32.24 3g6k s GLN 178 CO -0.06 -0.33 1.17 0.15 -1.32 0.00 0.00 175.29 174.90 3g6k s LYS 179 N -1.77 2.41 1.11 9.60 1.02 -1.26 0.01 119.74 130.85 3g6k s LYS 179 Ca -0.05 1.62 -0.12 0.00 0.02 0.00 0.00 55.97 57.44 3g6k s LYS 179 Cb -0.00 -1.88 0.24 0.00 -0.52 0.00 0.00 37.83 35.67 3g6k s LYS 179 CO 0.02 -1.59 1.01 0.25 -0.92 0.00 0.00 175.35 174.12 3g6k n THR 180 N -2.57 0.00 -2.41 2.17 -2.24 -0.47 -4.70 114.28 104.06 3g6k n THR 180 Ca 0.12 -0.32 -0.17 0.00 -2.27 0.00 0.00 64.05 61.41 3g6k n THR 180 Cb 0.51 -0.98 0.09 0.00 -2.10 0.00 0.00 70.33 67.85 3g6k n THR 180 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3g6k n ASP 181 N -4.63 0.87 -0.12 3.42 5.68 -1.26 -4.94 116.55 115.57 3g6k n ASP 181 Ca 0.05 -1.77 0.10 0.00 -0.50 0.00 0.00 54.79 52.67 3g6k n ASP 181 Cb 0.54 -0.51 0.44 0.00 -1.14 0.00 0.00 41.12 40.45 3g6k n ASP 181 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3g6k h ALA 182 N -0.73 1.89 -0.00 2.12 0.00 -1.96 -2.56 119.26 118.01 3g6k h ALA 182 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3g6k h ALA 182 Cb 0.89 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3g6k h ALA 182 CO 0.25 -0.01 -0.01 0.27 0.00 0.00 0.00 179.25 179.75 3g6k n ASN 183 N -4.48 0.42 -4.86 0.00 6.94 -1.26 -4.77 115.26 107.25 3g6k n ASN 183 Ca 0.10 -1.03 -0.25 0.00 -0.02 0.00 0.00 54.58 53.39 3g6k n ASN 183 Cb 0.31 -0.02 -0.04 0.00 -2.36 0.00 0.00 39.78 37.67 3g6k n ASN 183 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3g6k s TRP 184 N -2.09 3.27 0.86 -2.53 0.52 -0.97 -4.82 118.94 113.19 3g6k s TRP 184 Ca 0.42 0.00 -0.12 0.00 0.02 0.00 0.00 56.10 56.42 3g6k s TRP 184 Cb 0.21 -1.54 0.09 0.00 -1.15 0.00 0.00 33.47 31.08 3g6k s TRP 184 CO 0.38 0.51 1.01 -0.35 0.02 0.00 0.00 176.95 178.51 3g6k n PRO 185 N -0.69 -0.08 -2.94 4.98 -0.04 -1.26 -4.86 135.00 130.11 3g6k n PRO 185 Ca -0.08 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 3g6k n PRO 185 Cb 0.55 -2.28 -0.05 0.00 -0.04 0.00 0.00 33.50 31.68 3g6k n PRO 185 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3g6k s ASP 186 N -2.21 6.42 0.29 3.54 2.15 -1.26 -4.75 116.67 120.85 3g6k s ASP 186 Ca 0.68 -0.10 -0.15 0.00 0.43 0.00 0.00 52.55 53.41 3g6k s ASP 186 Cb -0.26 -2.40 0.01 0.00 -0.30 0.00 0.00 42.92 39.97 3g6k s ASP 186 CO 0.56 -0.96 0.61 0.72 -0.17 0.00 0.00 175.17 175.94 3g6k s PHE 187 N 3.40 0.18 -0.02 -5.34 -0.71 -1.26 -5.00 117.98 109.22 3g6k s PHE 187 Ca 0.31 -0.61 -0.23 0.00 -1.04 0.00 0.00 56.93 55.36 3g6k s PHE 187 Cb -0.12 0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 42.10 3g6k s PHE 187 CO 0.23 -1.18 0.67 0.71 -1.34 0.00 0.00 175.22 174.32 3g6k s TYR 188 N -3.67 3.65 -0.06 3.49 2.02 -0.38 -1.37 117.35 121.03 3g6k s TYR 188 Ca 0.18 1.28 -0.26 0.00 -0.37 0.00 0.00 57.07 57.89 3g6k s TYR 188 Cb -0.03 -2.74 -0.03 0.00 -0.40 0.00 0.00 41.96 38.76 3g6k s TYR 188 CO 0.09 0.22 0.81 1.03 -1.57 0.00 0.00 175.55 176.14 3g6k s ARG 189 N 0.26 4.46 -0.31 -0.62 0.52 0.10 -0.93 118.95 122.42 3g6k s ARG 189 Ca 0.35 1.08 -0.07 0.00 -0.52 0.00 0.00 55.73 56.57 3g6k s ARG 189 Cb -0.18 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 31.83 3g6k s ARG 189 CO 0.19 -0.04 0.10 -0.51 0.02 0.00 0.00 175.30 175.06 3g6k s LEU 190 N 1.08 4.02 -0.55 2.53 1.43 -0.06 -1.69 118.68 125.45 3g6k s LEU 190 Ca 0.42 -0.81 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 3g6k s LEU 190 Cb -0.19 -1.89 0.22 0.00 0.03 0.00 0.00 46.19 44.36 3g6k s LEU 190 CO 0.20 -0.23 0.56 0.00 0.23 0.00 0.00 176.35 177.12 3g6k n GLN 191 N 4.87 1.50 -0.05 1.70 6.02 0.63 -0.73 117.38 131.32 3g6k n GLN 191 Ca -0.14 -3.99 0.11 0.00 -0.01 0.00 0.00 57.00 52.97 3g6k n GLN 191 Cb 0.47 -1.88 0.47 0.00 1.02 0.00 0.00 30.24 30.31 3g6k n GLN 191 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3g6k n PRO 192 N 1.57 1.54 -0.14 -1.09 -0.05 -1.26 -3.78 135.00 131.79 3g6k n PRO 192 Ca 0.25 -0.81 0.07 0.00 -0.05 0.00 0.00 63.50 62.96 3g6k n PRO 192 Cb 0.44 -1.40 0.14 0.00 -0.05 0.00 0.00 33.50 32.64 3g6k n PRO 192 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 3g6k n LEU 193 N 0.02 2.79 -0.23 1.53 7.94 -1.26 -4.37 117.00 123.43 3g6k n LEU 193 Ca 0.17 -1.67 0.05 0.00 -1.11 0.00 0.00 56.01 53.45 3g6k n LEU 193 Cb 0.27 -0.19 0.30 0.00 0.53 0.00 0.00 43.42 44.34 3g6k n LEU 193 CO 0.13 0.65 1.23 -0.07 -1.11 0.00 0.00 177.39 178.23 3g6k h LEU 194 N 2.53 0.77 -0.40 -1.96 3.38 -1.65 -1.46 115.31 116.53 3g6k h LEU 194 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g6k h LEU 194 Cb 0.71 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3g6k h LEU 194 CO 0.00 0.51 0.00 0.00 0.09 0.00 0.00 178.44 179.04 3g6k n HIS 195 N -4.48 0.02 -2.73 1.13 1.44 -1.26 -0.81 115.22 108.54 3g6k n HIS 195 Ca 0.11 -0.01 -0.40 0.00 -2.01 0.00 0.00 57.72 55.41 3g6k n HIS 195 Cb 0.19 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.25 3g6k n HIS 195 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3g6k s TRP 196 N -1.98 3.94 0.49 -1.40 0.52 -0.55 -5.01 118.94 114.94 3g6k s TRP 196 Ca 0.40 1.89 0.06 0.00 0.02 0.00 0.00 56.10 58.47 3g6k s TRP 196 Cb 0.20 -3.01 0.01 0.00 -1.15 0.00 0.00 33.47 29.51 3g6k s TRP 196 CO 0.32 0.35 0.36 -0.80 0.02 0.00 0.00 176.95 177.21 3g6k s ASN 197 N -1.00 4.70 0.24 2.95 -0.87 -1.26 -4.71 114.94 114.99 3g6k s ASN 197 Ca 0.42 -1.09 -0.07 0.00 -1.57 0.00 0.00 52.86 50.55 3g6k s ASN 197 Cb -0.26 0.01 0.22 0.00 -0.02 0.00 0.00 41.25 41.20 3g6k s ASN 197 CO 0.32 -0.89 1.87 0.25 -2.57 0.00 0.00 177.10 176.08 3g6k h LEU 198 N 0.94 1.14 -1.08 0.60 5.85 -1.95 -1.38 115.31 119.42 3g6k h LEU 198 Ca -0.39 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 3g6k h LEU 198 Cb 1.28 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3g6k h LEU 198 CO 0.59 0.89 -0.01 0.00 -0.34 0.00 0.00 178.44 179.57 3g6k h ALA 199 N 1.30 1.24 -0.47 1.25 0.00 -1.86 -1.45 119.26 119.27 3g6k h ALA 199 Ca 0.33 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3g6k h ALA 199 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3g6k h ALA 199 CO -0.06 0.50 -0.00 -0.91 0.00 0.00 0.00 179.25 178.78 3g6k h ASN 200 N 0.60 0.81 0.06 0.00 -0.26 -1.62 -1.58 115.58 113.58 3g6k h ASN 200 Ca 0.12 -0.31 0.01 0.00 -0.56 0.00 0.00 56.30 55.56 3g6k h ASN 200 Cb 0.40 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 3g6k h ASN 200 CO 0.02 0.92 -0.08 0.40 -1.06 0.00 0.00 177.43 177.62 3g6k h ILE 201 N 0.68 0.80 -0.69 2.81 1.08 -0.90 -2.13 117.51 119.16 3g6k h ILE 201 Ca 0.13 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.53 3g6k h ILE 201 Cb 0.51 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 3g6k h ILE 201 CO 0.02 0.00 0.15 -0.50 -0.69 0.00 0.00 178.15 177.13 3g6k h TRP 202 N -0.17 1.18 -0.06 1.37 -0.00 -1.23 -0.35 115.95 116.70 3g6k h TRP 202 Ca 0.01 -0.15 0.01 0.00 -0.00 0.00 0.00 58.89 58.77 3g6k h TRP 202 Cb 0.18 -0.33 -0.01 0.00 -0.00 0.00 0.00 29.16 29.00 3g6k h TRP 202 CO -0.12 0.97 -0.03 1.03 -0.00 0.00 0.00 178.44 180.29 3g6k h SER 203 N 1.05 -0.10 -0.30 -3.49 0.87 -1.11 -0.34 113.55 110.14 3g6k h SER 203 Ca 0.21 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 3g6k h SER 203 Cb 0.40 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 3g6k h SER 203 CO 0.01 -0.04 -0.18 0.15 -0.53 0.00 0.00 176.83 176.24 3g6k h PHE 204 N -0.03 0.75 -0.58 2.24 3.57 -1.32 -1.61 116.94 119.96 3g6k h PHE 204 Ca 0.03 -0.20 -0.10 0.00 3.53 0.00 0.00 57.97 61.24 3g6k h PHE 204 Cb 0.08 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3g6k h PHE 204 CO -0.13 0.89 -0.02 1.25 -2.23 0.00 0.00 178.31 178.07 3g6k h LEU 205 N 0.39 1.00 -0.48 0.59 5.85 -0.91 -0.49 115.31 121.25 3g6k h LEU 205 Ca 0.06 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 3g6k h LEU 205 Cb 0.71 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3g6k h LEU 205 CO 0.05 1.07 -0.11 -0.07 -0.34 0.00 0.00 178.44 179.04 3g6k h LEU 206 N 0.93 0.93 -1.34 2.25 3.38 -1.06 -2.89 115.31 117.51 3g6k h LEU 206 Ca 0.16 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3g6k h LEU 206 Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3g6k h LEU 206 CO 0.03 1.07 0.12 0.22 0.09 0.00 0.00 178.44 179.97 3g6k h TYR 207 N 0.78 0.57 -0.06 1.13 3.20 -0.93 -3.03 116.97 118.64 3g6k h TYR 207 Ca 0.12 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.98 3g6k h TYR 207 Cb 0.66 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 3g6k h TYR 207 CO 0.05 0.48 0.05 0.66 -1.64 0.00 0.00 178.16 177.76 3g6k h SER 208 N 0.56 0.00 -1.89 -2.11 4.64 -0.87 0.48 113.55 114.36 3g6k h SER 208 Ca 0.13 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 61.07 3g6k h SER 208 Cb 0.18 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.19 3g6k h SER 208 CO -0.01 0.00 -0.43 -3.20 -0.87 0.00 0.00 176.83 172.32 3g6k n ASN 209 N -4.24 -5.43 -4.87 4.97 5.15 -1.15 -4.49 115.26 105.21 3g6k n ASN 209 Ca -0.02 0.21 -0.30 0.00 -0.60 0.00 0.00 54.58 53.87 3g6k n ASN 209 Cb 0.15 -4.54 -0.03 0.00 -0.53 0.00 0.00 39.78 34.83 3g6k n ASN 209 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3g6k s GLU 210 N -4.34 3.79 0.42 1.20 0.41 -1.26 -4.84 118.70 114.08 3g6k s GLU 210 Ca 0.00 0.54 -0.26 0.00 -0.41 0.00 0.00 54.97 54.84 3g6k s GLU 210 Cb 0.00 -2.34 -0.09 0.00 -1.78 0.00 0.00 34.13 29.92 3g6k s GLU 210 CO 0.00 -0.09 1.37 -1.25 -0.49 0.00 0.00 175.26 174.80 3g6k s PRO 211 N -3.95 3.89 -0.03 0.39 0.04 -1.26 -5.00 135.00 129.07 3g6k s PRO 211 Ca 0.52 2.30 0.06 0.00 0.04 0.00 0.00 61.00 63.93 3g6k s PRO 211 Cb -0.10 -2.75 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 3g6k s PRO 211 CO 0.32 -0.61 -0.22 0.42 0.04 0.00 0.00 177.00 176.95 3g6k s ILE 212 N -1.22 2.36 0.12 0.56 1.01 -1.26 -5.07 121.20 117.71 3g6k s ILE 212 Ca 0.58 -0.99 -0.35 0.00 0.00 0.00 0.00 60.65 59.89 3g6k s ILE 212 Cb -0.41 -1.86 -0.15 0.00 0.01 0.00 0.00 42.46 40.05 3g6k s ILE 212 CO 0.53 0.58 1.45 0.00 0.00 0.00 0.00 174.94 177.51 3g6k n GLU 214 N 2.95 0.07 -0.12 0.00 1.02 -1.26 -1.71 120.64 121.58 3g6k n GLU 214 Ca 0.18 0.29 0.08 0.00 -0.02 0.00 0.00 57.16 57.69 3g6k n GLU 214 Cb 0.24 -1.64 0.41 0.00 -0.02 0.00 0.00 31.44 30.44 3g6k n GLU 214 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3g6k h LEU 215 N 0.00 0.53 -1.09 -4.62 3.38 -1.95 -1.22 115.31 110.34 3g6k h LEU 215 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3g6k h LEU 215 Cb 0.32 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3g6k h LEU 215 CO 0.00 0.34 -0.14 1.88 0.09 0.00 0.00 178.44 180.62 3g6k h TYR 216 N 0.61 0.51 -0.12 1.13 0.05 -1.54 -1.93 116.97 115.68 3g6k h TYR 216 Ca 0.27 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.97 3g6k h TYR 216 Cb 0.30 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 3g6k h TYR 216 CO -0.00 0.60 0.06 -0.09 -1.05 0.00 0.00 178.16 177.68 3g6k h ARG 217 N 0.44 0.16 -0.47 4.88 9.65 -1.37 0.81 114.38 128.48 3g6k h ARG 217 Ca 0.08 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3g6k h ARG 217 Cb 0.51 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 3g6k h ARG 217 CO 0.03 0.13 0.00 0.66 2.80 0.00 0.00 179.97 183.59 3g6k n TYR 218 N -4.50 0.64 0.00 2.20 4.01 -0.76 -4.03 117.16 114.73 3g6k n TYR 218 Ca -0.01 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 3g6k n TYR 218 Cb 0.10 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 3g6k n TYR 218 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g6k n GLY 219 N 1.22 0.71 3.77 2.72 0.00 -0.85 -4.65 105.19 108.11 3g6k n GLY 219 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3g6k n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g6k s PHE 220 N -2.00 2.63 0.00 1.61 0.08 -1.02 -0.84 117.98 118.44 3g6k s PHE 220 Ca 0.00 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.57 3g6k s PHE 220 Cb 0.00 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.05 3g6k s PHE 220 CO 0.00 -1.80 0.16 0.25 -0.10 0.00 0.00 175.22 173.72 3g6k n THR 221 N -1.11 0.00 -3.68 0.64 -2.24 -1.26 -3.95 114.28 102.68 3g6k n THR 221 Ca 0.11 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 3g6k n THR 221 Cb 0.49 1.34 -0.08 0.00 -2.10 0.00 0.00 70.33 69.98 3g6k n THR 221 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g6k s SER 222 N -0.17 -0.61 -0.39 3.42 0.15 -1.26 -4.90 113.70 109.94 3g6k s SER 222 Ca 0.00 1.16 -0.01 0.00 0.70 0.00 0.00 55.95 57.80 3g6k s SER 222 Cb 0.00 1.16 0.11 0.00 -1.71 0.00 0.00 66.02 65.58 3g6k s SER 222 CO 0.00 -0.20 0.17 -0.76 1.20 0.00 0.00 173.24 173.64 3g6k s LEU 223 N 0.44 5.13 0.00 3.45 1.43 -1.26 -4.88 118.68 122.99 3g6k s LEU 223 Ca -0.01 -2.06 0.00 0.00 -1.03 0.00 0.00 54.13 51.03 3g6k s LEU 223 Cb -0.04 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.40 3g6k s LEU 223 CO -0.01 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 176.68 3g6k n GLY 224 N 4.51 1.90 3.86 -3.19 0.00 -1.26 -5.10 105.19 105.90 3g6k n GLY 224 Ca -0.01 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 3g6k n GLY 224 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6k s ASN 225 N -1.00 4.63 0.51 1.61 2.20 -1.26 -4.64 114.94 116.98 3g6k s ASN 225 Ca 0.00 1.02 0.15 0.00 -0.94 0.00 0.00 52.86 53.10 3g6k s ASN 225 Cb 0.00 -1.67 1.22 0.00 -2.00 0.00 0.00 41.25 38.80 3g6k s ASN 225 CO 0.00 -1.85 2.13 0.58 -2.94 0.00 0.00 177.10 175.02 3g6k h VAL 226 N -1.01 1.02 0.00 3.54 2.07 -1.35 -2.13 116.25 118.39 3g6k h VAL 226 Ca -0.47 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3g6k h VAL 226 Cb 1.29 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3g6k h VAL 226 CO 0.63 0.02 -0.87 -0.62 0.02 0.00 0.00 177.57 176.76 3g6k n GLU 227 N -4.52 0.12 -0.00 1.57 4.71 -1.26 -4.19 120.64 117.08 3g6k n GLU 227 Ca -0.03 -0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.16 3g6k n GLU 227 Cb 0.10 -1.54 0.03 0.00 -1.01 0.00 0.00 31.44 29.03 3g6k n GLU 227 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3g6k n GLU 228 N -1.70 0.01 -5.06 3.49 1.02 -0.97 -5.01 120.64 112.43 3g6k n GLU 228 Ca 0.04 -0.93 -0.30 0.00 -0.02 0.00 0.00 57.16 55.95 3g6k n GLU 228 Cb 0.38 -1.13 -0.17 0.00 -0.02 0.00 0.00 31.44 30.50 3g6k n GLU 228 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3g6k s THR 229 N -0.59 1.80 0.22 2.62 2.01 -0.84 -4.20 115.64 116.66 3g6k s THR 229 Ca 0.08 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.22 3g6k s THR 229 Cb 0.06 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 3g6k s THR 229 CO 0.09 0.50 0.00 -0.76 -0.69 0.00 0.00 174.62 173.77 3g6k s LEU 230 N 0.24 2.13 0.71 4.42 1.43 0.27 -4.88 118.68 123.00 3g6k s LEU 230 Ca -0.12 -1.22 -0.16 0.00 -1.03 0.00 0.00 54.13 51.59 3g6k s LEU 230 Cb -0.16 -0.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.84 3g6k s LEU 230 CO 0.06 -0.54 0.72 -2.65 0.23 0.00 0.00 176.35 174.17 3g6k n PRO 231 N -0.38 0.42 -2.31 1.29 -0.02 -1.26 -4.53 135.00 128.21 3g6k n PRO 231 Ca -0.05 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 3g6k n PRO 231 Cb 0.64 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 3g6k n PRO 231 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3g6k s ASN 232 N -1.51 6.91 0.59 2.55 3.84 -0.02 -4.62 114.94 122.69 3g6k s ASN 232 Ca 0.69 1.98 0.33 0.00 0.21 0.00 0.00 52.86 56.07 3g6k s ASN 232 Cb -0.36 -2.56 1.87 0.00 -0.55 0.00 0.00 41.25 39.66 3g6k s ASN 232 CO 0.54 -0.69 2.24 1.55 -2.79 0.00 0.00 177.10 177.94 3g6k h PRO 233 N 7.86 0.00 0.00 0.43 0.13 -1.89 0.72 132.00 139.25 3g6k h PRO 233 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3g6k h PRO 233 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3g6k h PRO 233 CO 0.91 0.03 0.00 0.72 -0.23 0.00 0.00 178.00 179.42 3g6k n HIS 234 N -3.61 0.00 -0.18 1.56 8.25 -1.26 -2.19 115.22 117.80 3g6k n HIS 234 Ca -0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.52 3g6k n HIS 234 Cb 0.12 -0.27 0.23 0.00 1.12 0.00 0.00 29.99 31.19 3g6k n HIS 234 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3g6k n LEU 235 N -1.27 3.41 -4.74 2.41 4.77 0.24 -4.98 117.00 116.84 3g6k n LEU 235 Ca 0.11 -1.90 -0.42 0.00 -0.03 0.00 0.00 56.01 53.78 3g6k n LEU 235 Cb 0.18 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 3g6k n LEU 235 CO 0.17 0.83 1.13 -0.60 -1.33 0.00 0.00 177.39 177.60 3g6k s ARG 236 N -1.05 4.25 0.18 3.23 3.52 -0.93 -1.05 118.95 127.10 3g6k s ARG 236 Ca 0.36 2.32 -0.28 0.00 -0.13 0.00 0.00 55.73 58.00 3g6k s ARG 236 Cb 0.19 -3.12 -0.08 0.00 -1.56 0.00 0.00 34.95 30.38 3g6k s ARG 236 CO 0.25 -0.47 0.88 0.15 -0.81 0.00 0.00 175.30 175.31 3g6k s LYS 237 N -0.02 4.72 -0.07 5.12 1.02 -0.04 -4.88 119.74 125.58 3g6k s LYS 237 Ca 0.62 1.35 -0.04 0.00 0.02 0.00 0.00 55.97 57.92 3g6k s LYS 237 Cb -0.42 -3.30 0.03 0.00 -0.52 0.00 0.00 37.83 33.62 3g6k s LYS 237 CO 0.41 0.46 0.17 0.34 -0.92 0.00 0.00 175.35 175.80 3g6k s ASP 238 N -0.86 -0.16 0.52 2.83 -1.08 -1.26 -4.69 116.67 111.98 3g6k s ASP 238 Ca 0.40 0.34 -0.22 0.00 -0.52 0.00 0.00 52.55 52.56 3g6k s ASP 238 Cb -0.24 0.28 -0.05 0.00 -1.46 0.00 0.00 42.92 41.44 3g6k s ASP 238 CO 0.29 -0.11 1.33 -1.59 0.52 0.00 0.00 175.17 175.61 3g6k s LYS 239 N 0.75 3.28 -0.44 4.34 -2.85 -1.26 -1.51 119.74 122.05 3g6k s LYS 239 Ca -0.06 2.17 0.00 0.00 -1.00 0.00 0.00 55.97 57.09 3g6k s LYS 239 Cb -0.07 -2.31 0.00 0.00 -2.06 0.00 0.00 37.83 33.39 3g6k s LYS 239 CO -0.04 -1.06 0.00 0.09 0.10 0.00 0.00 175.35 174.44 3g6k n ASN 240 N -0.88 -5.46 -4.81 0.03 3.02 -1.26 -4.97 115.26 100.92 3g6k n ASN 240 Ca 0.09 0.10 -0.38 0.00 -0.03 0.00 0.00 54.58 54.37 3g6k n ASN 240 Cb 0.45 -3.33 -0.06 0.00 -0.61 0.00 0.00 39.78 36.23 3g6k n ASN 240 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3g6k s SER 241 N -2.19 6.67 0.10 6.41 0.01 -0.57 -5.08 113.70 119.05 3g6k s SER 241 Ca 0.00 0.80 -0.34 0.00 1.31 0.00 0.00 55.95 57.72 3g6k s SER 241 Cb 0.00 -2.21 -0.13 0.00 0.21 0.00 0.00 66.02 63.89 3g6k s SER 241 CO 0.00 0.27 1.68 1.07 0.41 0.00 0.00 173.24 176.68 3g6k n THR 242 N 2.31 0.18 -1.62 1.44 5.66 -1.26 -4.85 114.28 116.13 3g6k n THR 242 Ca -0.14 -0.03 -0.39 0.00 -3.05 0.00 0.00 64.05 60.44 3g6k n THR 242 Cb 0.53 -1.70 0.04 0.00 -1.55 0.00 0.00 70.33 67.64 3g6k n THR 242 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3g6k n PRO 243 N 4.44 1.13 -2.24 1.09 -0.02 -1.26 -4.96 135.00 133.18 3g6k n PRO 243 Ca 0.18 0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 61.73 3g6k n PRO 243 Cb 0.30 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3g6k n PRO 243 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g6k s LEU 244 N -1.44 3.74 0.10 2.45 1.43 -1.26 -5.05 118.68 118.65 3g6k s LEU 244 Ca 0.70 2.18 0.04 0.00 -1.03 0.00 0.00 54.13 56.02 3g6k s LEU 244 Cb -0.47 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.13 3g6k s LEU 244 CO 0.51 -1.23 0.05 -0.54 0.23 0.00 0.00 176.35 175.37 3g6k s LYS 245 N -3.31 2.74 -0.19 1.70 1.02 -1.26 -5.10 119.74 115.35 3g6k s LYS 245 Ca 0.73 -0.78 -0.13 0.00 0.02 0.00 0.00 55.97 55.81 3g6k s LYS 245 Cb -0.24 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 3g6k s LYS 245 CO 0.27 0.54 0.25 -1.17 -0.92 0.00 0.00 175.35 174.33 3g6k s LEU 246 N -2.47 4.21 0.00 3.17 2.96 -1.26 -4.92 118.68 120.37 3g6k s LEU 246 Ca 0.28 0.39 0.27 0.00 -0.22 0.00 0.00 54.13 54.85 3g6k s LEU 246 Cb -0.12 -2.29 0.82 0.00 0.50 0.00 0.00 46.19 45.11 3g6k s LEU 246 CO 0.21 0.09 1.61 0.59 -1.32 0.00 0.00 176.35 177.53 3g6k n ASN 247 N 3.78 1.68 -0.50 3.68 3.02 -1.26 -4.36 115.26 121.30 3g6k n ASN 247 Ca -0.13 -1.48 0.07 0.00 -0.03 0.00 0.00 54.58 53.01 3g6k n ASN 247 Cb 0.52 0.04 0.14 0.00 -0.61 0.00 0.00 39.78 39.87 3g6k n ASN 247 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3g6k n PHE 248 N 0.22 0.00 -0.28 3.10 3.72 -1.26 -4.76 117.46 118.19 3g6k n PHE 248 Ca 0.17 -1.02 -0.04 0.00 -0.05 0.00 0.00 57.45 56.51 3g6k n PHE 248 Cb 0.40 -0.18 0.07 0.00 -0.94 0.00 0.00 39.48 38.83 3g6k n PHE 248 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3g6k h GLU 249 N 0.51 1.00 -0.37 -1.08 4.81 -2.01 -1.88 114.58 115.55 3g6k h GLU 249 Ca -0.03 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3g6k h GLU 249 Cb 1.15 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 3g6k h GLU 249 CO 0.01 0.66 0.10 2.35 -0.73 0.00 0.00 179.01 181.40 3g6k h TRP 250 N 1.03 0.61 -0.88 0.92 7.01 -1.95 -1.24 115.95 121.45 3g6k h TRP 250 Ca 0.29 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 3g6k h TRP 250 Cb -0.09 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 26.76 3g6k h TRP 250 CO -0.02 0.60 0.53 0.93 -2.79 0.00 0.00 178.44 177.69 3g6k h GLU 251 N 0.45 1.21 -0.26 2.65 3.07 -1.84 0.10 114.58 119.96 3g6k h GLU 251 Ca 0.12 -0.11 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3g6k h GLU 251 Cb 0.29 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 3g6k h GLU 251 CO -0.00 0.85 -0.13 0.82 -1.40 0.00 0.00 179.01 179.15 3g6k h ILE 252 N 1.22 1.30 0.00 3.13 2.04 -1.20 -1.58 117.51 122.43 3g6k h ILE 252 Ca 0.32 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.88 3g6k h ILE 252 Cb -0.04 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3g6k h ILE 252 CO -0.06 0.38 -0.36 -0.33 0.00 0.00 0.00 178.15 177.78 3g6k h GLU 253 N 0.27 0.00 -0.28 2.37 5.08 -0.89 -3.03 114.58 118.09 3g6k h GLU 253 Ca 0.06 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3g6k h GLU 253 Cb 0.64 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3g6k h GLU 253 CO 0.04 0.36 -0.02 0.09 -1.00 0.00 0.00 179.01 178.48 3g6k n ASN 254 N -3.97 3.24 -4.72 1.42 4.13 0.33 -5.05 115.26 110.64 3g6k n ASN 254 Ca -0.02 -3.31 -0.33 0.00 1.68 0.00 0.00 54.58 52.61 3g6k n ASN 254 Cb 0.41 -0.57 0.11 0.00 -1.54 0.00 0.00 39.78 38.19 3g6k n ASN 254 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g6k s ARG 255 N -2.99 1.94 0.09 3.52 1.70 -0.60 -4.84 118.95 117.77 3g6k s ARG 255 Ca 0.42 1.66 -0.31 0.00 -0.47 0.00 0.00 55.73 57.03 3g6k s ARG 255 Cb 0.36 -1.82 -0.09 0.00 -0.57 0.00 0.00 34.95 32.83 3g6k s ARG 255 CO 0.05 -1.97 1.61 -0.47 -1.08 0.00 0.00 175.30 173.45 3g6k s TYR 256 N -2.21 2.63 0.24 5.89 5.04 0.16 -4.95 117.35 124.15 3g6k s TYR 256 Ca 0.71 0.44 -0.26 0.00 -2.44 0.00 0.00 57.07 55.52 3g6k s TYR 256 Cb -0.27 -3.94 -0.09 0.00 0.35 0.00 0.00 41.96 38.02 3g6k s TYR 256 CO 0.49 -3.66 0.86 0.15 -1.34 0.00 0.00 175.55 172.05 3g6k s LYS 257 N 2.19 4.59 0.38 4.97 1.02 -1.26 -4.65 119.74 126.98 3g6k s LYS 257 Ca 0.72 1.24 0.08 0.00 0.02 0.00 0.00 55.97 58.03 3g6k s LYS 257 Cb -0.40 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 3g6k s LYS 257 CO 0.32 0.44 0.39 -1.01 -0.92 0.00 0.00 175.35 174.57 3g6k s HIS 258 N -1.36 2.83 0.00 3.18 3.76 -1.26 -5.08 115.29 117.36 3g6k s HIS 258 Ca 0.43 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 3g6k s HIS 258 Cb -0.21 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.41 3g6k s HIS 258 CO 0.26 -0.06 0.00 0.27 -0.85 0.00 0.00 174.74 174.36 3g6k n ASN 259 N -1.55 1.64 -0.10 1.40 0.23 -1.26 -4.87 115.26 110.74 3g6k n ASN 259 Ca 0.02 -0.61 -0.02 0.00 -0.53 0.00 0.00 54.58 53.44 3g6k n ASN 259 Cb 0.60 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.52 3g6k n ASN 259 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3g6k h GLU 260 N 0.00 0.77 -0.02 -3.83 5.08 -2.01 -0.82 114.58 113.75 3g6k h GLU 260 Ca 0.00 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 3g6k h GLU 260 Cb 0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3g6k h GLU 260 CO 0.00 0.71 -0.67 0.28 -1.00 0.00 0.00 179.01 178.33 3g6k h VAL 261 N 0.74 1.45 -0.01 3.13 2.07 -2.02 -3.34 116.25 118.28 3g6k h VAL 261 Ca 0.16 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.47 3g6k h VAL 261 Cb 0.30 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3g6k h VAL 261 CO 0.00 0.64 -0.44 0.35 0.02 0.00 0.00 177.57 178.14 3g6k n THR 262 N -3.78 0.00 -1.66 2.57 -2.24 -1.01 -4.91 114.28 103.25 3g6k n THR 262 Ca -0.02 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 3g6k n THR 262 Cb 0.66 1.11 0.02 0.00 -2.10 0.00 0.00 70.33 70.02 3g6k n THR 262 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3g6k n LYS 263 N -0.57 1.57 -4.40 -0.78 3.00 -0.34 -4.79 118.16 111.85 3g6k n LYS 263 Ca 0.05 0.56 -0.31 0.00 -0.00 0.00 0.00 58.31 58.61 3g6k n LYS 263 Cb 0.28 -2.23 -0.10 0.00 0.00 0.00 0.00 35.03 32.97 3g6k n LYS 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3g6k s ALA 264 N -1.27 2.94 0.37 3.14 0.00 -1.26 -5.05 121.76 120.63 3g6k s ALA 264 Ca 0.64 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 51.55 3g6k s ALA 264 Cb -0.51 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 3g6k s ALA 264 CO 0.56 0.62 0.27 -1.83 0.00 0.00 0.00 175.76 175.38 3g6k s GLU 265 N -1.74 2.54 0.25 0.00 -1.05 -1.26 -5.04 118.70 112.39 3g6k s GLU 265 Ca 0.19 -1.48 -0.31 0.00 -0.15 0.00 0.00 54.97 53.22 3g6k s GLU 265 Cb -0.11 -2.33 -0.12 0.00 -0.44 0.00 0.00 34.13 31.13 3g6k s GLU 265 CO 0.10 -0.00 1.55 -0.35 0.95 0.00 0.00 175.26 177.50 3g6k n PRO 266 N -1.36 2.43 -3.64 -4.83 -0.04 -1.26 -4.86 135.00 121.44 3g6k n PRO 266 Ca -0.00 0.87 -0.39 0.00 -0.04 0.00 0.00 63.50 63.93 3g6k n PRO 266 Cb 0.61 -2.61 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 3g6k n PRO 266 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3g6k s ILE 267 N 0.22 3.89 0.58 0.52 1.01 -1.26 -5.10 121.20 121.07 3g6k s ILE 267 Ca 0.68 -1.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.36 3g6k s ILE 267 Cb -0.57 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3g6k s ILE 267 CO 0.46 -0.69 1.09 -2.84 0.00 0.00 0.00 174.94 172.95 3g6k s PRO 268 N 1.30 3.25 0.45 2.79 0.02 -1.26 -4.56 135.00 136.99 3g6k s PRO 268 Ca 0.06 1.38 -0.24 0.00 0.02 0.00 0.00 61.00 62.22 3g6k s PRO 268 Cb -0.24 -2.01 -0.09 0.00 0.02 0.00 0.00 34.50 32.17 3g6k s PRO 268 CO -0.01 -0.89 1.07 1.51 -0.33 0.00 0.00 177.00 178.35 3g6k n ILE 269 N -1.80 2.67 -2.50 2.83 3.06 -1.26 -4.91 119.36 117.45 3g6k n ILE 269 Ca 0.10 -0.50 -0.39 0.00 -2.50 0.00 0.00 62.75 59.46 3g6k n ILE 269 Cb 0.52 -1.26 -0.04 0.00 0.54 0.00 0.00 39.64 39.40 3g6k n ILE 269 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3g6k s ALA 270 N -1.30 3.30 0.27 1.51 0.00 -1.26 -4.91 121.76 119.36 3g6k s ALA 270 Ca 0.65 0.83 -0.03 0.00 0.00 0.00 0.00 51.96 53.41 3g6k s ALA 270 Cb -0.52 -3.31 0.40 0.00 0.00 0.00 0.00 23.12 19.69 3g6k s ALA 270 CO 0.55 -0.18 1.89 -0.44 0.00 0.00 0.00 175.76 177.59 3g6k h ASP 271 N 3.38 1.05 0.22 0.00 3.45 -1.99 -0.98 116.42 121.55 3g6k h ASP 271 Ca -0.47 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 56.95 3g6k h ASP 271 Cb 1.21 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.75 3g6k h ASP 271 CO 0.65 0.69 -0.21 1.05 -1.57 0.00 0.00 179.24 179.85 3g6k h GLU 272 N 1.20 0.00 0.15 3.56 4.11 -2.01 -1.52 114.58 120.07 3g6k h GLU 272 Ca 0.42 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.55 3g6k h GLU 272 Cb 0.11 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.38 3g6k h GLU 272 CO -0.15 0.21 -1.28 -0.44 0.07 0.00 0.00 179.01 177.41 3g6k h ASP 273 N 0.00 0.68 -0.55 3.06 3.32 -1.61 -3.15 116.42 118.17 3g6k h ASP 273 Ca -0.00 -0.68 0.00 0.00 0.02 0.00 0.00 57.03 56.37 3g6k h ASP 273 Cb 0.37 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3g6k h ASP 273 CO 0.03 1.51 0.35 0.25 -1.72 0.00 0.00 179.24 179.66 3g6k h LEU 274 N 0.17 0.64 -0.76 1.55 5.85 -0.81 -0.15 115.31 121.80 3g6k h LEU 274 Ca -0.18 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3g6k h LEU 274 Cb 1.97 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.80 3g6k h LEU 274 CO 0.23 0.48 0.42 0.58 -0.34 0.00 0.00 178.44 179.82 3g6k h VAL 275 N 0.75 1.23 -0.52 1.05 2.07 -1.38 0.43 116.25 119.88 3g6k h VAL 275 Ca 0.20 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 3g6k h VAL 275 Cb -0.06 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 3g6k h VAL 275 CO -0.04 0.25 0.09 0.50 0.02 0.00 0.00 177.57 178.39 3g6k h LYS 276 N 1.05 0.85 -0.37 1.57 3.64 -1.37 -2.01 116.57 119.93 3g6k h LYS 276 Ca 0.27 -0.22 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 3g6k h LYS 276 Cb 0.03 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3g6k h LYS 276 CO -0.04 0.83 -0.33 0.82 -2.27 0.00 0.00 179.45 178.46 3g6k h ILE 277 N 0.73 1.28 0.00 2.00 2.04 -0.67 -2.64 117.51 120.25 3g6k h ILE 277 Ca 0.16 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.53 3g6k h ILE 277 Cb 0.39 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3g6k h ILE 277 CO 0.01 0.49 0.00 -0.62 0.00 0.00 0.00 178.15 178.03 3g6k n GLU 278 N -4.07 0.14 -0.08 2.37 1.02 0.11 -2.25 120.64 117.88 3g6k n GLU 278 Ca -0.01 0.35 0.12 0.00 -0.02 0.00 0.00 57.16 57.59 3g6k n GLU 278 Cb 0.50 -1.75 0.34 0.00 -0.02 0.00 0.00 31.44 30.51 3g6k n GLU 278 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3g6k n ASN 279 N -2.00 2.15 0.22 1.62 4.05 -0.77 -4.38 115.26 116.14 3g6k n ASN 279 Ca 0.03 -1.76 0.15 0.00 0.45 0.00 0.00 54.58 53.44 3g6k n ASN 279 Cb 0.23 -0.11 0.51 0.00 1.23 0.00 0.00 39.78 41.64 3g6k n ASN 279 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3g6k h LEU 280 N 2.96 0.00 0.00 1.20 3.38 -1.50 -3.47 115.31 117.89 3g6k h LEU 280 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g6k h LEU 280 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3g6k h LEU 280 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 3g6k n HIS 281 N -2.83 0.00 -3.91 1.13 8.25 -1.26 -4.96 115.22 111.64 3g6k n HIS 281 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 3g6k n HIS 281 Cb 0.35 -0.63 -0.12 0.00 1.12 0.00 0.00 29.99 30.71 3g6k n HIS 281 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3g6k s GLU 282 N -0.62 0.20 0.24 -0.41 0.41 -1.26 -5.17 118.70 112.09 3g6k s GLU 282 Ca 0.00 -0.27 0.09 0.00 -0.41 0.00 0.00 54.97 54.38 3g6k s GLU 282 Cb 0.00 0.08 -0.04 0.00 -1.78 0.00 0.00 34.13 32.38 3g6k s GLU 282 CO 0.00 -0.03 0.02 0.34 -0.49 0.00 0.00 175.26 175.10 3g6k s ASP 283 N -0.73 4.72 0.02 -0.19 2.15 -1.26 -5.01 116.67 116.38 3g6k s ASP 283 Ca -0.08 -0.53 0.03 0.00 0.43 0.00 0.00 52.55 52.40 3g6k s ASP 283 Cb -0.05 -0.96 -0.01 0.00 -0.30 0.00 0.00 42.92 41.60 3g6k s ASP 283 CO -0.00 0.02 -0.09 -0.31 -0.17 0.00 0.00 175.17 174.61 3g6k s TYR 284 N -2.15 0.80 0.72 -5.34 2.02 -1.26 -0.86 117.35 111.28 3g6k s TYR 284 Ca 0.30 -0.29 -0.15 0.00 -0.37 0.00 0.00 57.07 56.56 3g6k s TYR 284 Cb -0.07 -0.49 0.03 0.00 -0.40 0.00 0.00 41.96 41.03 3g6k s TYR 284 CO 0.20 -0.02 1.22 0.71 -1.57 0.00 0.00 175.55 176.09 3g6k s TYR 285 N -0.69 2.06 0.93 2.71 2.02 -0.21 -4.66 117.35 119.51 3g6k s TYR 285 Ca -0.01 1.59 -0.11 0.00 -0.37 0.00 0.00 57.07 58.16 3g6k s TYR 285 Cb -0.06 -3.50 0.15 0.00 -0.40 0.00 0.00 41.96 38.16 3g6k s TYR 285 CO 0.00 -2.64 1.09 -1.25 -1.57 0.00 0.00 175.55 171.19 3g6k s PRO 286 N -3.84 0.92 0.57 -1.71 0.04 -1.26 -3.61 135.00 126.10 3g6k s PRO 286 Ca 0.75 1.06 0.28 0.00 0.04 0.00 0.00 61.00 63.13 3g6k s PRO 286 Cb -0.30 -1.75 1.68 0.00 0.04 0.00 0.00 34.50 34.17 3g6k s PRO 286 CO 0.44 -2.54 2.20 0.78 0.04 0.00 0.00 177.00 177.92 3g6k h GLY 287 N -1.78 0.00 0.61 0.56 0.00 -0.98 -0.55 103.07 100.93 3g6k h GLY 287 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3g6k h GLY 287 CO 0.50 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.37 3g6k n TRP 288 N -3.88 0.00 1.41 5.60 2.14 -1.26 -0.85 117.44 120.60 3g6k n TRP 288 Ca -0.03 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.68 3g6k n TRP 288 Cb 0.12 0.00 0.61 0.00 -0.81 0.00 0.00 31.31 31.23 3g6k n TRP 288 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 3g6k n TYR 289 N -0.81 0.00 -3.61 -2.67 4.02 -0.21 -4.69 117.16 109.19 3g6k n TYR 289 Ca 0.12 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.64 3g6k n TYR 289 Cb 0.05 -0.18 -0.10 0.00 -0.02 0.00 0.00 39.34 39.10 3g6k n TYR 289 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3g6k s LEU 290 N -2.46 4.08 0.00 7.72 2.96 -0.03 -4.92 118.68 126.03 3g6k s LEU 290 Ca 0.29 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 3g6k s LEU 290 Cb 0.20 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.75 3g6k s LEU 290 CO 0.47 0.01 0.63 1.33 -1.32 0.00 0.00 176.35 177.47 3g6k n VAL 291 N 4.57 0.36 -3.19 1.68 0.24 -1.26 -4.76 118.33 115.96 3g6k n VAL 291 Ca -0.14 -0.59 -0.43 0.00 -2.04 0.00 0.00 64.34 61.14 3g6k n VAL 291 Cb 0.52 0.92 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 3g6k n VAL 291 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3g6k s ASP 292 N -0.36 6.26 0.60 -1.34 -1.08 -1.26 -4.39 116.67 115.09 3g6k s ASP 292 Ca 0.00 -0.59 0.30 0.00 -0.52 0.00 0.00 52.55 51.75 3g6k s ASP 292 Cb 0.00 -2.28 1.83 0.00 -1.46 0.00 0.00 42.92 41.02 3g6k s ASP 292 CO 0.00 -0.74 2.24 0.44 0.52 0.00 0.00 175.17 177.63 3g6k h ASP 293 N 8.85 0.00 0.75 -0.34 3.32 -2.00 -1.12 116.42 125.88 3g6k h ASP 293 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3g6k h ASP 293 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3g6k h ASP 293 CO 0.87 0.00 0.00 0.11 -1.72 0.00 0.00 179.24 178.50 3g6k h LYS 294 N 0.00 0.00 -0.04 3.56 1.57 -1.95 -3.00 116.57 116.72 3g6k h LYS 294 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3g6k h LYS 294 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3g6k h LYS 294 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 3g6k n LEU 295 N -2.32 2.03 -0.13 2.94 4.77 -0.43 -4.70 117.00 119.16 3g6k n LEU 295 Ca 0.02 -1.06 0.08 0.00 -0.03 0.00 0.00 56.01 55.01 3g6k n LEU 295 Cb 0.24 -0.02 0.40 0.00 -2.33 0.00 0.00 43.42 41.71 3g6k n LEU 295 CO 0.20 0.39 1.20 -0.08 -1.33 0.00 0.00 177.39 177.78 3g6k h GLU 296 N 2.27 0.62 -0.60 3.23 4.81 -1.51 -1.48 114.58 121.92 3g6k h GLU 296 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3g6k h GLU 296 Cb 0.50 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3g6k h GLU 296 CO 0.00 0.41 0.00 0.54 -0.73 0.00 0.00 179.01 179.23 3g6k n ARG 297 N -4.48 4.71 0.28 1.92 1.74 -1.26 -4.03 116.66 115.54 3g6k n ARG 297 Ca 0.10 -3.08 0.18 0.00 -0.77 0.00 0.00 57.85 54.28 3g6k n ARG 297 Cb 0.25 -2.21 0.78 0.00 -1.02 0.00 0.00 32.46 30.25 3g6k n ARG 297 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g6k h ALA 298 N 4.01 1.00 -0.36 7.54 0.00 -1.59 -0.59 119.26 129.26 3g6k h ALA 298 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g6k h ALA 298 Cb 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3g6k h ALA 298 CO 0.45 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.11 3g6k n GLY 299 N -0.19 1.07 0.00 0.00 0.00 -1.26 -4.63 105.19 100.18 3g6k n GLY 299 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3g6k n GLY 299 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19