#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3g n ALA 1 N 0.00 -0.90 0.31 5.13 0.00 -1.26 -4.83 120.51 118.96 3k3g n ALA 1 Ca 0.00 0.37 0.19 0.00 0.00 0.00 0.00 53.44 54.00 3k3g n ALA 1 Cb 0.00 -1.63 1.00 0.00 0.00 0.00 0.00 19.45 18.82 3k3g n ALA 1 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3k3g h PHE 2 N 4.79 0.00 0.00 0.00 0.04 -2.10 -2.28 116.94 117.39 3k3g h PHE 2 Ca -0.32 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.45 3k3g h PHE 2 Cb 1.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.30 3k3g h PHE 2 CO 0.59 0.02 -0.00 0.78 -0.60 0.00 0.00 178.31 179.10 3k3g h GLY 3 N 0.54 0.00 2.00 -1.45 0.00 -2.05 -2.96 103.07 99.15 3k3g h GLY 3 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k3g h GLY 3 CO 0.00 0.00 -0.00 0.83 0.00 0.00 0.00 176.54 177.37 3k3g h GLU 4 N 0.00 0.00 -0.08 4.80 5.08 -1.77 -0.64 114.58 121.97 3k3g h GLU 4 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3k3g h GLU 4 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3k3g h GLU 4 CO 0.00 0.00 0.11 0.37 -1.00 0.00 0.00 179.01 178.49 3k3g h GLN 5 N 0.00 0.00 0.00 2.33 4.15 -1.74 -1.27 115.11 118.58 3k3g h GLN 5 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 3k3g h GLN 5 Cb 0.05 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 3k3g h GLN 5 CO 0.00 0.00 -0.02 -0.07 -1.93 0.00 0.00 178.83 176.81 3k3g h LEU 6 N 0.00 0.00 0.00 -2.39 3.38 -1.35 -3.07 115.31 111.87 3k3g h LEU 6 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k3g h LEU 6 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3k3g h LEU 6 CO -0.00 0.02 -0.77 0.18 0.09 0.00 0.00 178.44 177.95 3k3g n LEU 7 N -3.13 0.63 -4.77 1.67 4.77 -0.48 -4.96 117.00 110.73 3k3g n LEU 7 Ca 0.00 -0.01 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 3k3g n LEU 7 Cb 0.30 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3k3g n LEU 7 CO 0.27 0.07 0.85 -0.54 -1.33 0.00 0.00 177.39 176.72 3k3g s LYS 8 N -3.11 3.65 -0.02 3.23 1.02 -1.16 -5.06 119.74 118.29 3k3g s LYS 8 Ca 0.07 1.85 -0.06 0.00 0.02 0.00 0.00 55.97 57.84 3k3g s LYS 8 Cb 0.15 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 3k3g s LYS 8 CO 0.76 -0.66 0.14 0.54 -0.92 0.00 0.00 175.35 175.21 3k3g s ASN 9 N -1.30 -0.05 0.52 2.83 2.20 -1.26 -5.05 114.94 112.84 3k3g s ASN 9 Ca 0.65 0.01 0.33 0.00 -0.94 0.00 0.00 52.86 52.90 3k3g s ASN 9 Cb -0.30 0.25 1.47 0.00 -2.00 0.00 0.00 41.25 40.67 3k3g s ASN 9 CO 0.37 -0.24 1.83 -0.65 -2.94 0.00 0.00 177.10 175.47 3k3g h PRO 10 N 4.96 0.05 -0.06 3.55 0.11 -1.98 0.43 132.00 139.05 3k3g h PRO 10 Ca -0.28 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.66 3k3g h PRO 10 Cb 1.20 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.30 3k3g h PRO 10 CO 0.41 0.03 -0.58 1.25 -0.21 0.00 0.00 178.00 178.90 3k3g h LEU 11 N 0.05 0.61 -0.71 2.35 5.85 -1.98 -0.12 115.31 121.36 3k3g h LEU 11 Ca 0.52 -0.69 -0.14 0.00 0.84 0.00 0.00 57.88 58.41 3k3g h LEU 11 Cb 1.97 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 3k3g h LEU 11 CO -0.04 1.21 -0.54 -0.29 -0.34 0.00 0.00 178.44 178.44 3k3g h ILE 12 N 0.07 1.36 -0.39 4.05 6.09 -1.39 -1.80 117.51 125.49 3k3g h ILE 12 Ca -0.06 -1.84 -0.10 0.00 -1.37 0.00 0.00 64.86 61.49 3k3g h ILE 12 Cb 1.25 1.89 -0.01 0.00 0.47 0.00 0.00 36.82 40.41 3k3g h ILE 12 CO 0.12 0.55 -0.15 -0.08 -3.07 0.00 0.00 178.15 175.51 3k3g h GLU 13 N 0.22 0.79 -0.95 2.19 4.81 -1.22 -2.01 114.58 118.41 3k3g h GLU 13 Ca 0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3k3g h GLU 13 Cb 1.03 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 3k3g h GLU 13 CO 0.09 0.95 0.60 0.35 -0.73 0.00 0.00 179.01 180.27 3k3g h PHE 14 N 0.60 1.22 -0.16 0.92 3.04 -0.97 -0.63 116.94 120.96 3k3g h PHE 14 Ca 0.09 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.99 3k3g h PHE 14 Cb 0.70 -0.41 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 3k3g h PHE 14 CO 0.05 0.79 -0.18 0.00 -2.02 0.00 0.00 178.31 176.96 3k3g h ASP 16 N 0.25 0.84 -0.55 0.00 3.58 -1.06 -2.57 116.42 116.92 3k3g h ASP 16 Ca 0.05 -0.92 0.06 0.00 0.42 0.00 0.00 57.03 56.63 3k3g h ASP 16 Cb 0.46 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.19 3k3g h ASP 16 CO 0.03 1.71 0.27 0.28 -2.88 0.00 0.00 179.24 178.64 3k3g h SER 17 N 0.13 0.36 -0.19 2.28 0.02 -0.89 -1.96 113.55 113.29 3k3g h SER 17 Ca -0.26 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3k3g h SER 17 Cb 2.16 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.66 3k3g h SER 17 CO 0.27 0.24 0.12 0.58 -1.14 0.00 0.00 176.83 176.90 3k3g h VAL 18 N 0.51 1.09 -0.29 2.27 2.07 -1.13 0.14 116.25 120.90 3k3g h VAL 18 Ca 0.25 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.45 3k3g h VAL 18 Cb 0.19 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3k3g h VAL 18 CO -0.19 0.08 -0.28 0.00 0.02 0.00 0.00 177.57 177.20 3k3g h ARG 20 N 0.52 0.99 -0.54 0.00 3.08 -1.32 -1.44 114.38 115.66 3k3g h ARG 20 Ca 0.07 -0.26 0.09 0.00 0.07 0.00 0.00 59.98 59.95 3k3g h ARG 20 Cb 0.75 -0.12 -0.11 0.00 0.08 0.00 0.00 29.97 30.57 3k3g h ARG 20 CO 0.06 0.93 -0.36 0.78 -1.07 0.00 0.00 179.97 180.31 3k3g h GLY 21 N 0.89 -0.23 1.01 0.04 0.00 -0.34 0.16 103.07 104.60 3k3g h GLY 21 Ca 0.18 0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.94 3k3g h GLY 21 CO 0.01 -0.20 0.27 0.00 0.00 0.00 0.00 176.54 176.63 3k3g h GLY 23 N 0.94 1.35 2.00 0.00 0.00 -0.42 -2.28 103.07 104.66 3k3g h GLY 23 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3k3g h GLY 23 CO -0.02 0.06 0.00 -1.06 0.00 0.00 0.00 176.54 175.52 3k3g n GLN 24 N -4.79 0.07 -0.21 4.80 1.13 0.47 -1.68 117.38 117.17 3k3g n GLN 24 Ca 0.15 0.39 0.20 0.00 -1.94 0.00 0.00 57.00 55.81 3k3g n GLN 24 Cb 0.35 -1.66 0.55 0.00 0.11 0.00 0.00 30.24 29.59 3k3g n GLN 24 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3k3g h VAL 25 N 0.00 0.68 -0.09 5.09 2.07 -1.39 -1.31 116.25 121.29 3k3g h VAL 25 Ca 0.00 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 3k3g h VAL 25 Cb 0.20 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 3k3g h VAL 25 CO 0.00 0.06 -0.57 0.23 0.02 0.00 0.00 177.57 177.31 3k3g n MET 26 N -4.47 1.72 -1.29 1.57 2.81 -0.68 -4.96 117.12 111.84 3k3g n MET 26 Ca 0.18 -3.33 -0.10 0.00 -1.81 0.00 0.00 57.70 52.64 3k3g n MET 26 Cb 0.71 -1.60 -0.04 0.00 -0.71 0.00 0.00 33.22 31.58 3k3g n MET 26 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3k3g n PHE 27 N -0.97 0.00 -3.45 2.03 3.72 -0.50 -4.96 117.46 113.34 3k3g n PHE 27 Ca 0.21 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.18 3k3g n PHE 27 Cb 0.75 -1.96 -0.07 0.00 -0.94 0.00 0.00 39.48 37.26 3k3g n PHE 27 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3k3g s GLN 28 N -2.74 2.73 -1.33 -1.08 -1.52 -0.70 -4.87 119.66 110.16 3k3g s GLN 28 Ca 0.00 -1.69 -0.17 0.00 -1.95 0.00 0.00 55.36 51.55 3k3g s GLN 28 Cb 0.00 -4.08 0.06 0.00 -0.22 0.00 0.00 33.01 28.77 3k3g s GLN 28 CO 0.00 -1.22 1.85 -1.71 -0.25 0.00 0.00 175.29 173.97 3k3g n ASN 29 N 5.07 4.65 -3.67 5.90 2.85 -1.26 -2.65 115.26 126.15 3k3g n ASN 29 Ca -0.11 -2.90 -0.09 0.00 -0.11 0.00 0.00 54.58 51.38 3k3g n ASN 29 Cb 0.41 -1.73 -0.09 0.00 1.24 0.00 0.00 39.78 39.61 3k3g n ASN 29 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3k3g s ASN 30 N 4.06 -0.70 0.15 1.20 3.84 -1.26 -5.06 114.94 117.17 3k3g s ASN 30 Ca 0.53 1.18 -0.10 0.00 0.21 0.00 0.00 52.86 54.67 3k3g s ASN 30 Cb 0.06 1.12 -0.02 0.00 -0.55 0.00 0.00 41.25 41.85 3k3g s ASN 30 CO 0.04 -0.22 1.50 0.74 -2.79 0.00 0.00 177.10 176.38 3k3g h THR 31 N 5.39 1.27 -0.32 -5.21 2.02 -1.88 -2.13 112.91 112.04 3k3g h THR 31 Ca -0.32 -1.52 -0.13 0.00 0.77 0.00 0.00 66.41 65.21 3k3g h THR 31 Cb 1.19 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3k3g h THR 31 CO 0.22 0.51 -0.32 0.58 0.37 0.00 0.00 175.52 176.89 3k3g h VAL 32 N 0.79 1.29 -0.26 3.16 2.07 -1.97 0.25 116.25 121.58 3k3g h VAL 32 Ca 0.07 -1.49 0.05 0.00 0.82 0.00 0.00 66.70 66.15 3k3g h VAL 32 Cb 0.94 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 3k3g h VAL 32 CO 0.09 0.48 -0.05 0.74 0.02 0.00 0.00 177.57 178.85 3k3g h THR 33 N 0.55 0.76 -0.41 2.57 2.02 -1.76 0.24 112.91 116.87 3k3g h THR 33 Ca 0.05 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 3k3g h THR 33 Cb 0.90 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3k3g h THR 33 CO 0.08 0.00 0.11 1.23 0.37 0.00 0.00 175.52 177.31 3k3g h GLY 34 N 0.02 0.71 0.52 2.16 0.00 -1.24 0.67 103.07 105.90 3k3g h GLY 34 Ca 0.12 -0.44 0.09 0.00 0.00 0.00 0.00 47.33 47.11 3k3g h GLY 34 CO -0.25 0.41 0.40 -2.00 0.00 0.00 0.00 176.54 175.09 3k3g h LEU 35 N 0.53 0.55 -0.70 3.11 5.85 -0.19 -0.75 115.31 123.71 3k3g h LEU 35 Ca 0.13 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 3k3g h LEU 35 Cb 0.30 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3k3g h LEU 35 CO -0.00 0.32 -0.59 -0.07 -0.34 0.00 0.00 178.44 177.77 3k3g h LEU 36 N 0.68 0.00 -0.29 2.25 3.38 -0.18 -1.79 115.31 119.36 3k3g h LEU 36 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 3k3g h LEU 36 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3k3g h LEU 36 CO -0.25 0.59 0.12 -0.26 0.09 0.00 0.00 178.44 178.73 3k3g h PHE 37 N 0.00 0.43 -0.59 1.13 0.04 -0.16 -0.80 116.94 116.99 3k3g h PHE 37 Ca -0.01 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.80 3k3g h PHE 37 Cb 1.12 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 39.09 3k3g h PHE 37 CO 0.00 0.42 0.30 0.74 -0.60 0.00 0.00 178.31 179.16 3k3g h PHE 38 N 0.32 0.54 -0.55 -0.55 0.04 -1.03 -1.43 116.94 114.28 3k3g h PHE 38 Ca 0.10 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.92 3k3g h PHE 38 Cb 0.16 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 3k3g h PHE 38 CO -0.01 0.24 0.32 0.00 -0.60 0.00 0.00 178.31 178.26 3k3g h ALA 39 N 1.33 0.71 -0.74 2.45 0.00 -1.06 0.72 119.26 122.68 3k3g h ALA 39 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3k3g h ALA 39 Cb 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3k3g h ALA 39 CO -0.20 0.02 0.46 0.78 0.00 0.00 0.00 179.25 180.32 3k3g h GLY 40 N 0.63 1.05 0.71 0.00 0.00 -0.70 -0.15 103.07 104.61 3k3g h GLY 40 Ca 0.23 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3k3g h GLY 40 CO -0.12 0.41 -0.05 -2.22 0.00 0.00 0.00 176.54 174.56 3k3g h ILE 41 N 1.00 1.05 -0.21 2.60 2.04 -0.79 -2.69 117.51 120.51 3k3g h ILE 41 Ca 0.27 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.53 3k3g h ILE 41 Cb -0.07 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3k3g h ILE 41 CO -0.05 0.15 0.14 -0.26 0.00 0.00 0.00 178.15 178.13 3k3g h PHE 42 N -0.44 0.08 -0.85 1.37 0.04 -0.81 0.28 116.94 116.61 3k3g h PHE 42 Ca -0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3k3g h PHE 42 Cb 0.36 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 3k3g h PHE 42 CO 0.02 0.05 0.42 -0.92 -0.60 0.00 0.00 178.31 177.28 3k3g h TYR 43 N 0.09 1.21 0.14 -0.55 3.20 -0.87 -3.26 116.97 116.92 3k3g h TYR 43 Ca 0.09 -0.06 -0.18 0.00 3.14 0.00 0.00 58.73 61.73 3k3g h TYR 43 Cb 0.27 -0.38 0.02 0.00 1.54 0.00 0.00 36.73 38.18 3k3g h TYR 43 CO -0.00 0.87 -0.80 -0.97 -1.64 0.00 0.00 178.16 175.62 3k3g h ASN 44 N 1.21 0.45 -2.63 -2.11 -1.24 -0.66 -3.47 115.58 107.13 3k3g h ASN 44 Ca 0.29 -0.96 0.01 0.00 0.71 0.00 0.00 56.30 56.35 3k3g h ASN 44 Cb 0.11 -0.15 -0.22 0.00 0.73 0.00 0.00 38.32 38.79 3k3g h ASN 44 CO -0.04 1.38 -0.12 -0.55 -1.29 0.00 0.00 177.43 176.81 3k3g s SER 45 N -6.95 -0.87 0.24 1.15 0.15 0.77 -5.03 113.70 103.17 3k3g s SER 45 Ca -0.14 1.39 -0.05 0.00 0.70 0.00 0.00 55.95 57.85 3k3g s SER 45 Cb 0.01 1.61 0.26 0.00 -1.71 0.00 0.00 66.02 66.19 3k3g s SER 45 CO 0.83 -0.23 1.80 0.74 1.20 0.00 0.00 173.24 177.58 3k3g h THR 46 N 5.57 1.25 -0.28 6.45 2.02 -1.80 -1.77 112.91 124.34 3k3g h THR 46 Ca -0.25 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.05 3k3g h THR 46 Cb 1.16 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3k3g h THR 46 CO 0.15 0.32 -0.06 0.74 0.37 0.00 0.00 175.52 177.04 3k3g h THR 47 N 1.02 1.28 -0.23 3.16 2.02 -1.94 -0.88 112.91 117.34 3k3g h THR 47 Ca 0.23 -1.08 -0.07 0.00 0.77 0.00 0.00 66.41 66.26 3k3g h THR 47 Cb 0.24 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3k3g h THR 47 CO -0.01 0.34 -0.15 -0.07 0.37 0.00 0.00 175.52 176.00 3k3g h LEU 48 N 0.30 0.38 -0.09 2.58 3.38 -1.91 -2.33 115.31 117.62 3k3g h LEU 48 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3k3g h LEU 48 Cb 0.54 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3k3g h LEU 48 CO 0.03 0.55 0.00 1.23 0.09 0.00 0.00 178.44 180.35 3k3g h GLY 49 N 0.89 0.17 1.01 0.83 0.00 -0.94 0.13 103.07 105.16 3k3g h GLY 49 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3k3g h GLY 49 CO 0.03 0.11 0.52 -2.08 0.00 0.00 0.00 176.54 175.12 3k3g h VAL 50 N -0.11 1.22 -0.31 4.60 2.07 -1.17 -2.03 116.25 120.52 3k3g h VAL 50 Ca 0.03 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 3k3g h VAL 50 Cb 0.33 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3k3g h VAL 50 CO 0.00 0.22 -0.36 0.00 0.02 0.00 0.00 177.57 177.46 3k3g h ALA 52 N 1.02 0.20 -0.27 0.00 0.00 -0.58 -1.44 119.26 118.19 3k3g h ALA 52 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3k3g h ALA 52 Cb 0.88 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3k3g h ALA 52 CO 0.08 -0.43 0.18 0.28 0.00 0.00 0.00 179.25 179.36 3k3g h VAL 53 N 0.07 1.07 -0.67 0.00 2.07 -1.18 -0.21 116.25 117.40 3k3g h VAL 53 Ca 0.11 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3k3g h VAL 53 Cb 0.13 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3k3g h VAL 53 CO -0.18 0.07 0.26 0.25 0.02 0.00 0.00 177.57 177.99 3k3g h LEU 54 N 0.36 0.94 -0.25 2.57 5.85 -0.95 0.18 115.31 124.01 3k3g h LEU 54 Ca 0.10 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3k3g h LEU 54 Cb -0.04 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3k3g h LEU 54 CO -0.02 0.86 0.05 1.23 -0.34 0.00 0.00 178.44 180.21 3k3g h GLY 55 N 0.96 0.44 0.77 3.75 0.00 -1.15 0.53 103.07 108.38 3k3g h GLY 55 Ca 0.22 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.29 3k3g h GLY 55 CO -0.02 0.27 0.13 -0.84 0.00 0.00 0.00 176.54 176.08 3k3g h THR 56 N 0.23 0.94 -0.84 4.70 2.02 -0.87 -1.82 112.91 117.26 3k3g h THR 56 Ca 0.08 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3k3g h THR 56 Cb 0.32 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 3k3g h THR 56 CO 0.00 0.05 0.40 0.00 0.37 0.00 0.00 175.52 176.35 3k3g h ALA 57 N 1.19 1.11 -0.44 6.16 0.00 -0.46 -1.52 119.26 125.30 3k3g h ALA 57 Ca 0.14 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3k3g h ALA 57 Cb 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3k3g h ALA 57 CO -0.13 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.79 3k3g h ALA 58 N 1.23 0.59 -0.15 0.00 0.00 0.29 -1.77 119.26 119.46 3k3g h ALA 58 Ca 0.29 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3k3g h ALA 58 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3k3g h ALA 58 CO -0.04 0.38 -0.40 0.66 0.00 0.00 0.00 179.25 179.85 3k3g h SER 59 N 0.62 0.61 0.04 0.00 4.64 -1.23 -2.40 113.55 115.83 3k3g h SER 59 Ca 0.13 -0.59 0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3k3g h SER 59 Cb 0.48 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3k3g h SER 59 CO 0.02 1.09 -0.10 0.74 -0.87 0.00 0.00 176.83 177.71 3k3g h THR 60 N 0.16 0.76 -0.77 2.95 2.02 -1.13 -2.18 112.91 114.72 3k3g h THR 60 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 3k3g h THR 60 Cb 1.02 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 3k3g h THR 60 CO 0.09 0.00 0.46 0.25 0.37 0.00 0.00 175.52 176.69 3k3g h LEU 61 N -0.19 0.93 -0.22 2.58 5.85 -1.35 -1.67 115.31 121.23 3k3g h LEU 61 Ca 0.02 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3k3g h LEU 61 Cb 0.21 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3k3g h LEU 61 CO -0.07 0.72 0.11 0.74 -0.34 0.00 0.00 178.44 179.60 3k3g h THR 62 N 1.05 1.00 -0.72 1.05 2.02 -1.32 0.36 112.91 116.35 3k3g h THR 62 Ca 0.28 -0.08 0.13 0.00 0.77 0.00 0.00 66.41 67.50 3k3g h THR 62 Cb -0.03 0.75 -0.09 0.00 -1.74 0.00 0.00 68.15 67.04 3k3g h THR 62 CO -0.05 0.04 0.29 0.00 0.37 0.00 0.00 175.52 176.17 3k3g h ALA 63 N 1.11 0.99 -0.38 6.16 0.00 -1.09 0.37 119.26 126.41 3k3g h ALA 63 Ca 0.09 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 3k3g h ALA 63 Cb 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3k3g h ALA 63 CO -0.06 -0.19 -0.33 1.96 0.00 0.00 0.00 179.25 180.63 3k3g h GLN 64 N 0.45 0.86 -0.62 0.00 4.20 -0.61 0.43 115.11 119.82 3k3g h GLN 64 Ca 0.38 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3k3g h GLN 64 Cb 0.55 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 3k3g h GLN 64 CO -0.37 1.06 0.28 -0.07 -0.67 0.00 0.00 178.83 179.05 3k3g h LEU 65 N 0.72 0.80 0.00 1.46 3.38 0.48 -2.13 115.31 120.02 3k3g h LEU 65 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k3g h LEU 65 Cb 0.89 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3k3g h LEU 65 CO 0.08 0.69 -0.33 0.18 0.09 0.00 0.00 178.44 179.16 3k3g n LEU 66 N -4.34 0.41 -1.66 1.67 4.77 0.05 -4.97 117.00 112.92 3k3g n LEU 66 Ca 0.06 0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 56.24 3k3g n LEU 66 Cb 0.14 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3k3g n LEU 66 CO 0.38 0.03 0.02 0.61 -1.33 0.00 0.00 177.39 177.10 3k3g n GLY 67 N 1.45 0.33 3.77 -0.72 0.00 -0.54 -5.04 105.19 104.44 3k3g n GLY 67 Ca 0.06 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 3k3g n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k3g s VAL 68 N -3.08 2.99 -0.03 1.61 1.01 0.03 -4.95 120.40 117.97 3k3g s VAL 68 Ca 0.04 0.82 -0.40 0.00 0.00 0.00 0.00 61.98 62.43 3k3g s VAL 68 Cb -0.00 -3.45 -0.19 0.00 0.00 0.00 0.00 36.38 32.73 3k3g s VAL 68 CO 0.16 0.07 1.18 0.47 0.00 0.00 0.00 175.10 176.98 3k3g n ASP 69 N -0.07 0.43 -0.16 3.32 8.00 -1.26 -4.84 116.55 121.97 3k3g n ASP 69 Ca 0.05 1.15 -0.02 0.00 0.71 0.00 0.00 54.79 56.68 3k3g n ASP 69 Cb 0.46 -0.97 0.06 0.00 -0.02 0.00 0.00 41.12 40.66 3k3g n ASP 69 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3k3g h LYS 70 N 3.53 0.17 0.00 -1.24 3.64 -1.99 -2.18 116.57 118.49 3k3g h LYS 70 Ca -0.50 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3k3g h LYS 70 Cb 1.41 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 3k3g h LYS 70 CO 0.71 0.11 -0.01 -1.35 -2.27 0.00 0.00 179.45 176.64 3k3g h PRO 71 N 0.17 0.00 -0.30 1.90 0.11 -1.98 0.41 132.00 132.32 3k3g h PRO 71 Ca 0.25 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.24 3k3g h PRO 71 Cb 0.36 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 3k3g h PRO 71 CO -0.37 0.01 -0.28 -0.07 -0.21 0.00 0.00 178.00 177.07 3k3g h LEU 72 N 0.00 0.77 -0.01 2.35 3.38 -1.76 -2.15 115.31 117.88 3k3g h LEU 72 Ca -0.00 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 3k3g h LEU 72 Cb 0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3k3g h LEU 72 CO 0.00 1.07 -0.00 0.58 0.09 0.00 0.00 178.44 180.18 3k3g h VAL 73 N 0.47 1.28 -0.53 1.22 2.07 -1.20 -2.77 116.25 116.79 3k3g h VAL 73 Ca 0.05 -0.84 0.12 0.00 0.82 0.00 0.00 66.70 66.85 3k3g h VAL 73 Cb 0.85 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 3k3g h VAL 73 CO 0.07 0.22 0.37 0.03 0.02 0.00 0.00 177.57 178.28 3k3g h ARG 74 N -0.33 0.17 -0.05 1.57 3.08 -0.17 -0.72 114.38 117.93 3k3g h ARG 74 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3k3g h ARG 74 Cb 0.36 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3k3g h ARG 74 CO 0.00 0.11 0.00 0.00 -1.07 0.00 0.00 179.97 179.01 3k3g n ALA 75 N -2.58 2.58 -1.05 0.04 0.00 -0.81 -4.68 120.51 114.01 3k3g n ALA 75 Ca 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 3k3g n ALA 75 Cb 0.48 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 3k3g n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k3g n GLY 76 N 0.91 0.50 0.10 0.00 0.00 -0.28 -4.66 105.19 101.77 3k3g n GLY 76 Ca 0.15 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3k3g n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k3g n LEU 77 N -0.19 0.60 -0.92 0.99 4.77 -1.05 -1.83 117.00 119.37 3k3g n LEU 77 Ca -0.02 0.60 0.07 0.00 -0.03 0.00 0.00 56.01 56.64 3k3g n LEU 77 Cb 0.15 -0.47 0.23 0.00 -2.33 0.00 0.00 43.42 41.01 3k3g n LEU 77 CO 0.03 -0.34 0.70 0.49 -1.33 0.00 0.00 177.39 176.93 3k3g n PHE 78 N -2.12 0.83 -0.07 -1.77 3.72 -1.26 -4.63 117.46 112.17 3k3g n PHE 78 Ca 0.04 -0.65 -0.11 0.00 -0.05 0.00 0.00 57.45 56.68 3k3g n PHE 78 Cb 0.31 -0.17 -0.07 0.00 -0.94 0.00 0.00 39.48 38.62 3k3g n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k3g n GLY 79 N 0.30 -0.21 0.29 1.37 0.00 -0.76 -2.86 105.19 103.32 3k3g n GLY 79 Ca 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 3k3g n GLY 79 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3k3g h PHE 80 N -0.04 1.03 0.00 1.61 -0.00 -1.44 -0.25 116.94 117.85 3k3g h PHE 80 Ca -0.33 -0.12 -0.03 0.00 -0.00 0.00 0.00 57.97 57.49 3k3g h PHE 80 Cb 1.50 -0.29 -0.00 0.00 -0.00 0.00 0.00 35.95 37.15 3k3g h PHE 80 CO 0.01 0.87 -0.13 -0.91 -0.00 0.00 0.00 178.31 178.15 3k3g h ASN 81 N 0.90 0.00 0.07 -0.68 2.35 -1.88 -2.49 115.58 113.86 3k3g h ASN 81 Ca 0.19 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.73 3k3g h ASN 81 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3k3g h ASN 81 CO 0.00 0.13 -0.79 1.23 -1.65 0.00 0.00 177.43 176.35 3k3g h GLY 82 N 0.42 0.66 0.35 2.83 0.00 -1.34 -0.67 103.07 105.32 3k3g h GLY 82 Ca -0.00 -0.96 0.05 0.00 0.00 0.00 0.00 47.33 46.42 3k3g h GLY 82 CO 0.02 0.86 -0.17 -0.84 0.00 0.00 0.00 176.54 176.40 3k3g h THR 83 N 0.40 0.54 -0.45 4.70 2.02 -0.73 -1.39 112.91 118.00 3k3g h THR 83 Ca -0.05 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.99 3k3g h THR 83 Cb 1.40 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3k3g h THR 83 CO 0.15 0.00 -0.27 -0.07 0.37 0.00 0.00 175.52 175.70 3k3g h LEU 84 N -0.19 1.00 -1.42 2.58 3.38 -1.43 -2.40 115.31 116.83 3k3g h LEU 84 Ca 0.12 -0.40 0.09 0.00 0.09 0.00 0.00 57.88 57.77 3k3g h LEU 84 Cb 0.36 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3k3g h LEU 84 CO -0.30 1.20 0.48 0.00 0.09 0.00 0.00 178.44 179.91 3k3g h ALA 85 N 0.86 1.80 -0.14 1.53 0.00 -0.92 -0.37 119.26 122.03 3k3g h ALA 85 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3k3g h ALA 85 Cb 0.85 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3k3g h ALA 85 CO 0.07 0.06 -0.16 0.78 0.00 0.00 0.00 179.25 180.01 3k3g h GLY 86 N 0.67 0.39 0.93 0.00 0.00 -0.85 -3.33 103.07 100.87 3k3g h GLY 86 Ca 0.33 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 3k3g h GLY 86 CO -0.11 0.37 -0.33 -2.22 0.00 0.00 0.00 176.54 174.24 3k3g h ILE 87 N -0.03 1.32 -0.82 2.60 2.04 -1.03 -3.35 117.51 118.24 3k3g h ILE 87 Ca 0.02 -1.53 0.14 0.00 1.00 0.00 0.00 64.86 64.49 3k3g h ILE 87 Cb 0.70 1.76 -0.09 0.00 -0.74 0.00 0.00 36.82 38.45 3k3g h ILE 87 CO 0.04 0.48 0.41 0.00 0.00 0.00 0.00 178.15 179.08 3k3g h ALA 88 N 0.64 1.22 0.35 1.87 0.00 -1.18 -2.57 119.26 119.58 3k3g h ALA 88 Ca 0.02 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3k3g h ALA 88 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3k3g h ALA 88 CO 0.08 -0.10 -0.17 -0.07 0.00 0.00 0.00 179.25 178.99 3k3g h LEU 89 N 0.60 -0.39 -0.15 0.00 3.38 -1.69 -2.06 115.31 114.99 3k3g h LEU 89 Ca 0.44 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3k3g h LEU 89 Cb 0.62 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3k3g h LEU 89 CO -0.36 -0.18 0.00 -0.81 0.09 0.00 0.00 178.44 177.18 3k3g n PRO 90 N -5.24 0.08 -0.08 1.13 -0.04 -1.20 -0.74 135.00 128.92 3k3g n PRO 90 Ca -0.10 0.21 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 3k3g n PRO 90 Cb 0.24 -1.63 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 3k3g n PRO 90 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3k3g h PHE 91 N 0.00 0.97 0.00 0.54 3.57 -1.12 -3.38 116.94 117.52 3k3g h PHE 91 Ca 0.00 -0.33 -0.37 0.00 3.53 0.00 0.00 57.97 60.80 3k3g h PHE 91 Cb 0.42 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 3k3g h PHE 91 CO 0.00 1.13 -2.37 1.19 -2.23 0.00 0.00 178.31 176.02 3k3g n PHE 92 N -4.13 0.09 -4.08 0.41 3.72 -0.81 -4.96 117.46 107.70 3k3g n PHE 92 Ca -0.04 0.03 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 3k3g n PHE 92 Cb 0.56 -1.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.02 3k3g n PHE 92 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3k3g s PHE 93 N -2.51 3.11 0.65 1.38 0.08 0.08 -0.26 117.98 120.51 3k3g s PHE 93 Ca -0.19 0.02 -0.15 0.00 0.12 0.00 0.00 56.93 56.74 3k3g s PHE 93 Cb 0.07 -1.57 -0.01 0.00 -0.57 0.00 0.00 43.02 40.95 3k3g s PHE 93 CO 0.75 0.51 1.09 -0.80 -0.10 0.00 0.00 175.22 176.67 3k3g s ASN 94 N -2.48 5.25 0.31 1.36 0.01 -0.27 -4.45 114.94 114.67 3k3g s ASN 94 Ca 0.28 1.93 -0.29 0.00 -0.71 0.00 0.00 52.86 54.07 3k3g s ASN 94 Cb -0.12 -2.54 -0.11 0.00 0.41 0.00 0.00 41.25 38.89 3k3g s ASN 94 CO 0.21 -1.53 1.49 -0.47 -1.51 0.00 0.00 177.10 175.28 3k3g s TYR 95 N -2.42 2.82 0.04 2.20 6.14 -1.26 -4.57 117.35 120.30 3k3g s TYR 95 Ca 0.66 1.03 0.00 0.00 0.64 0.00 0.00 57.07 59.40 3k3g s TYR 95 Cb -0.19 -3.94 -0.03 0.00 0.42 0.00 0.00 41.96 38.22 3k3g s TYR 95 CO 0.42 -2.96 -0.04 -1.21 0.64 0.00 0.00 175.55 172.39 3k3g s GLU 96 N -1.06 0.50 0.41 4.97 8.01 -1.26 -4.98 118.70 125.29 3k3g s GLU 96 Ca 0.58 -0.90 0.15 0.00 0.01 0.00 0.00 54.97 54.81 3k3g s GLU 96 Cb -0.45 0.03 1.03 0.00 -4.31 0.00 0.00 34.13 30.43 3k3g s GLU 96 CO 0.51 -0.05 1.89 -1.00 0.01 0.00 0.00 175.26 176.63 3k3g h PRO 97 N 3.99 0.44 0.00 0.39 0.13 -1.97 0.23 132.00 135.21 3k3g h PRO 97 Ca -0.34 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3k3g h PRO 97 Cb 1.18 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3k3g h PRO 97 CO 0.51 0.29 0.00 0.00 -0.23 0.00 0.00 178.00 178.57 3k3g n ALA 98 N -2.51 1.30 -0.25 -0.56 0.00 -1.26 -3.77 120.51 113.48 3k3g n ALA 98 Ca 0.16 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.67 3k3g n ALA 98 Cb 0.57 -1.16 0.18 0.00 0.00 0.00 0.00 19.45 19.04 3k3g n ALA 98 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3k3g h MET 99 N 0.00 0.34 -0.48 0.00 -1.53 -0.94 -0.72 114.93 111.60 3k3g h MET 99 Ca 0.00 -0.02 -0.09 0.00 -3.44 0.00 0.00 59.70 56.15 3k3g h MET 99 Cb 0.12 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.08 3k3g h MET 99 CO 0.00 0.23 -0.07 -0.07 0.14 0.00 0.00 176.91 177.13 3k3g h LEU 100 N 0.35 0.84 -0.48 3.39 4.07 -1.80 -0.16 115.31 121.52 3k3g h LEU 100 Ca 0.40 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 3k3g h LEU 100 Cb 0.64 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 3k3g h LEU 100 CO -0.44 0.95 0.17 1.23 -1.08 0.00 0.00 178.44 179.26 3k3g h GLY 101 N 0.98 0.78 1.16 0.83 0.00 -1.49 -2.06 103.07 103.26 3k3g h GLY 101 Ca 0.14 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 3k3g h GLY 101 CO 0.03 0.42 -0.08 -1.82 0.00 0.00 0.00 176.54 175.09 3k3g h TYR 102 N 0.64 1.09 -0.47 5.60 3.20 -0.80 -0.61 116.97 125.63 3k3g h TYR 102 Ca 0.16 -0.21 0.03 0.00 3.14 0.00 0.00 58.73 61.85 3k3g h TYR 102 Cb 0.23 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3k3g h TYR 102 CO 0.01 1.00 0.26 0.28 -1.64 0.00 0.00 178.16 178.08 3k3g h VAL 103 N 0.89 1.02 -0.73 1.81 2.07 -0.96 0.14 116.25 120.49 3k3g h VAL 103 Ca 0.15 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3k3g h VAL 103 Cb 0.62 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3k3g h VAL 103 CO 0.04 0.10 0.40 0.00 0.02 0.00 0.00 177.57 178.13 3k3g h ALA 104 N 1.22 0.93 -0.44 1.67 0.00 -0.94 0.25 119.26 121.96 3k3g h ALA 104 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3k3g h ALA 104 Cb 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3k3g h ALA 104 CO -0.10 0.44 0.23 1.25 0.00 0.00 0.00 179.25 181.07 3k3g h LEU 105 N 1.00 0.55 -0.56 0.00 5.85 -0.78 0.28 115.31 121.66 3k3g h LEU 105 Ca 0.26 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 3k3g h LEU 105 Cb 0.03 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3k3g h LEU 105 CO -0.04 0.49 0.09 -1.13 -0.34 0.00 0.00 178.44 177.51 3k3g h ASN 106 N 0.57 0.88 -0.03 1.25 -1.24 -0.27 -0.57 115.58 116.18 3k3g h ASN 106 Ca 0.15 -0.26 0.01 0.00 0.71 0.00 0.00 56.30 56.92 3k3g h ASN 106 Cb 0.06 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.86 3k3g h ASN 106 CO -0.02 0.92 -0.05 1.23 -1.29 0.00 0.00 177.43 178.21 3k3g h GLY 107 N 0.81 -0.03 1.01 1.57 0.00 -0.34 -1.98 103.07 104.12 3k3g h GLY 107 Ca 0.17 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 3k3g h GLY 107 CO 0.01 -0.06 0.44 0.00 0.00 0.00 0.00 176.54 176.93 3k3g h ALA 108 N 0.94 1.00 -0.78 3.60 0.00 -0.70 -2.61 119.26 120.71 3k3g h ALA 108 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3k3g h ALA 108 Cb 0.12 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3k3g h ALA 108 CO -0.08 0.49 0.42 0.35 0.00 0.00 0.00 179.25 180.44 3k3g h PHE 109 N 1.08 1.07 -0.56 0.00 -0.00 -0.93 -2.62 116.94 114.98 3k3g h PHE 109 Ca 0.28 -0.02 0.07 0.00 -0.00 0.00 0.00 57.97 58.29 3k3g h PHE 109 Cb 0.01 -0.34 -0.03 0.00 -0.00 0.00 0.00 35.95 35.58 3k3g h PHE 109 CO -0.00 0.75 0.37 1.79 -0.00 0.00 0.00 178.31 181.22 3k3g h THR 110 N 1.10 0.97 -0.45 4.41 1.35 -0.96 -2.16 112.91 117.18 3k3g h THR 110 Ca 0.28 -0.17 -0.12 0.00 -0.55 0.00 0.00 66.41 65.85 3k3g h THR 110 Cb 0.03 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 66.87 3k3g h THR 110 CO -0.04 0.09 -0.18 0.74 -0.25 0.00 0.00 175.52 175.88 3k3g h THR 111 N 0.50 1.27 -0.28 6.82 2.02 -1.44 0.21 112.91 122.01 3k3g h THR 111 Ca 0.25 -1.32 0.05 0.00 0.77 0.00 0.00 66.41 66.15 3k3g h THR 111 Cb 0.33 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 3k3g h THR 111 CO -0.07 0.45 -0.02 0.40 0.37 0.00 0.00 175.52 176.65 3k3g h ILE 112 N 0.74 0.77 -0.13 3.11 1.08 -1.36 -2.32 117.51 119.40 3k3g h ILE 112 Ca 0.10 -0.02 -0.20 0.00 -0.39 0.00 0.00 64.86 64.36 3k3g h ILE 112 Cb 0.74 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 3k3g h ILE 112 CO 0.06 0.01 -0.72 0.40 -0.69 0.00 0.00 178.15 177.21 3k3g h ILE 113 N 0.06 1.33 -0.40 -0.67 2.04 -0.98 0.03 117.51 118.91 3k3g h ILE 113 Ca 0.14 -2.02 0.07 0.00 1.00 0.00 0.00 64.86 64.05 3k3g h ILE 113 Cb 0.19 2.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 3k3g h ILE 113 CO -0.25 0.62 0.06 -0.03 0.00 0.00 0.00 178.15 178.55 3k3g h MET 114 N 0.41 0.18 -0.53 2.37 4.05 -0.56 0.81 114.93 121.65 3k3g h MET 114 Ca -0.03 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 3k3g h MET 114 Cb 1.31 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.05 3k3g h MET 114 CO 0.14 0.12 0.22 0.00 0.23 0.00 0.00 176.91 177.61 3k3g h ALA 115 N 1.32 0.69 -0.36 0.39 0.00 -1.01 0.11 119.26 120.40 3k3g h ALA 115 Ca 0.20 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3k3g h ALA 115 Cb 0.25 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 3k3g h ALA 115 CO -0.28 0.30 -0.11 0.77 0.00 0.00 0.00 179.25 179.93 3k3g h SER 116 N 0.72 -0.39 0.76 0.00 0.02 -0.44 -1.26 113.55 112.97 3k3g h SER 116 Ca 0.18 0.12 -0.22 0.00 -0.84 0.00 0.00 61.79 61.03 3k3g h SER 116 Cb 0.19 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3k3g h SER 116 CO -0.02 -0.14 -1.00 -0.07 -1.14 0.00 0.00 176.83 174.47 3k3g h LEU 117 N -0.03 0.18 -0.78 5.07 3.38 -0.63 -0.01 115.31 122.49 3k3g h LEU 117 Ca 0.18 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3k3g h LEU 117 Cb 0.29 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3k3g h LEU 117 CO -0.39 1.06 0.28 -0.07 0.09 0.00 0.00 178.44 179.42 3k3g h LEU 118 N 0.05 1.11 -0.06 1.67 3.38 -0.65 0.20 115.31 121.00 3k3g h LEU 118 Ca -0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3k3g h LEU 118 Cb 1.69 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 3k3g h LEU 118 CO 0.15 1.00 0.02 -1.13 0.09 0.00 0.00 178.44 178.56 3k3g h ASN 119 N 1.15 0.09 0.62 -0.43 -1.24 -1.05 -2.42 115.58 112.31 3k3g h ASN 119 Ca 0.26 -0.23 -0.03 0.00 0.71 0.00 0.00 56.30 57.01 3k3g h ASN 119 Cb 0.26 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.29 3k3g h ASN 119 CO -0.01 0.29 -0.30 0.15 -1.29 0.00 0.00 177.43 176.27 3k3g h PHE 120 N -0.11 -0.78 0.00 0.67 3.04 -0.85 -3.29 116.94 115.63 3k3g h PHE 120 Ca 0.02 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3k3g h PHE 120 Cb 0.24 0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.00 3k3g h PHE 120 CO 0.00 -0.46 0.00 -0.07 -2.02 0.00 0.00 178.31 175.76 3k3g h LEU 121 N -1.18 0.00 -2.30 0.59 3.38 -0.77 -3.19 115.31 111.84 3k3g h LEU 121 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3k3g h LEU 121 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3k3g h LEU 121 CO 0.14 0.00 -0.05 1.23 0.09 0.00 0.00 178.44 179.85 3k3g h GLY 122 N 2.87 0.00 2.00 0.83 0.00 -1.49 -1.93 103.07 105.34 3k3g h GLY 122 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3k3g h GLY 122 CO 0.00 0.00 -0.03 0.50 0.00 0.00 0.00 176.54 177.01 3k3g h LYS 123 N 0.00 0.00 -0.13 4.80 1.79 -1.71 -2.54 116.57 118.78 3k3g h LYS 123 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3k3g h LYS 123 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3k3g h LYS 123 CO 0.01 0.03 0.00 0.91 -1.08 0.00 0.00 179.45 179.31 3k3g n TRP 124 N -3.20 0.16 -2.39 -1.35 8.01 -0.75 -5.00 117.44 112.91 3k3g n TRP 124 Ca -0.01 -0.20 -0.16 0.00 -1.31 0.00 0.00 57.50 55.82 3k3g n TRP 124 Cb 0.21 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.31 29.50 3k3g n TRP 124 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3k3g n GLY 125 N 0.48 -0.29 3.73 6.99 0.00 -0.96 -5.01 105.19 110.12 3k3g n GLY 125 Ca 0.07 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3k3g n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k3g s VAL 126 N -2.85 5.13 0.58 1.61 1.01 -1.06 -4.51 120.40 120.32 3k3g s VAL 126 Ca 0.04 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 3k3g s VAL 126 Cb -0.02 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3k3g s VAL 126 CO 0.05 0.50 1.04 -2.16 0.00 0.00 0.00 175.10 174.53 3k3g s PRO 127 N -0.04 3.44 0.44 2.72 0.04 -1.26 -4.34 135.00 135.99 3k3g s PRO 127 Ca 0.08 1.13 0.24 0.00 0.04 0.00 0.00 61.00 62.49 3k3g s PRO 127 Cb -0.12 -2.05 0.88 0.00 0.04 0.00 0.00 34.50 33.25 3k3g s PRO 127 CO 0.00 -0.71 1.81 0.00 0.04 0.00 0.00 177.00 178.14 3k3g h ALA 128 N 0.47 1.01 -0.64 8.56 0.00 -1.94 -3.49 119.26 123.23 3k3g h ALA 128 Ca -0.47 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3k3g h ALA 128 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3k3g h ALA 128 CO 0.58 0.29 0.00 1.28 0.00 0.00 0.00 179.25 181.40 3k3g n LEU 129 N -3.38 0.00 -1.24 0.00 4.77 -1.26 -2.65 117.00 113.23 3k3g n LEU 129 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 3k3g n LEU 129 Cb 0.44 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.79 3k3g n LEU 129 CO 0.34 0.00 0.69 0.35 -1.33 0.00 0.00 177.39 177.44 3k3g n THR 130 N 0.00 1.36 -0.36 -5.08 -2.24 -1.26 -4.40 114.28 102.31 3k3g n THR 130 Ca 0.00 -0.85 0.08 0.00 -2.27 0.00 0.00 64.05 61.01 3k3g n THR 130 Cb 0.00 -0.01 0.25 0.00 -2.10 0.00 0.00 70.33 68.47 3k3g n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k3g h ALA 131 N 3.68 1.54 -0.45 6.98 0.00 -1.89 -1.38 119.26 127.74 3k3g h ALA 131 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3k3g h ALA 131 Cb 1.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3k3g h ALA 131 CO 0.18 0.18 0.27 -1.35 0.00 0.00 0.00 179.25 178.53 3k3g h PRO 132 N 0.95 0.53 -0.48 0.00 0.11 -1.80 -0.37 132.00 130.95 3k3g h PRO 132 Ca 0.51 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.64 3k3g h PRO 132 Cb 0.56 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.50 3k3g h PRO 132 CO -0.29 0.35 0.22 0.35 -0.21 0.00 0.00 178.00 178.42 3k3g h PHE 133 N 0.54 0.40 -0.24 0.65 3.57 -1.68 -2.01 116.94 118.18 3k3g h PHE 133 Ca 0.18 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 3k3g h PHE 133 Cb 0.01 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 3k3g h PHE 133 CO -0.07 0.18 -0.20 0.28 -2.23 0.00 0.00 178.31 176.28 3k3g h VAL 134 N 0.44 1.31 -0.24 1.41 2.07 -0.91 -1.92 116.25 118.41 3k3g h VAL 134 Ca 0.21 -1.34 -0.18 0.00 0.82 0.00 0.00 66.70 66.21 3k3g h VAL 134 Cb 0.15 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3k3g h VAL 134 CO -0.17 0.42 -0.55 -0.07 0.02 0.00 0.00 177.57 177.21 3k3g h LEU 135 N 0.27 0.90 -0.27 2.57 3.38 -1.09 -0.70 115.31 120.37 3k3g h LEU 135 Ca 0.04 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 3k3g h LEU 135 Cb 0.74 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3k3g h LEU 135 CO 0.05 1.29 0.03 0.00 0.09 0.00 0.00 178.44 179.90 3k3g h ALA 136 N 0.63 0.36 -0.31 1.53 0.00 -1.39 -1.85 119.26 118.22 3k3g h ALA 136 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3k3g h ALA 136 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3k3g h ALA 136 CO 0.12 0.06 0.07 1.15 0.00 0.00 0.00 179.25 180.65 3k3g h THR 137 N 0.25 1.22 -0.38 0.00 2.02 -1.32 0.02 112.91 114.72 3k3g h THR 137 Ca 0.08 -0.76 0.08 0.00 0.77 0.00 0.00 66.41 66.57 3k3g h THR 137 Cb 0.37 1.13 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 3k3g h THR 137 CO 0.01 0.25 -0.11 -0.50 0.37 0.00 0.00 175.52 175.54 3k3g h TRP 138 N 0.34 -0.24 -0.57 3.16 6.55 -1.14 0.40 115.95 124.44 3k3g h TRP 138 Ca 0.10 0.04 -0.00 0.00 0.95 0.00 0.00 58.89 59.97 3k3g h TRP 138 Cb 0.31 0.17 -0.03 0.00 -0.86 0.00 0.00 29.16 28.75 3k3g h TRP 138 CO 0.02 -0.18 0.35 -0.07 -1.05 0.00 0.00 178.44 177.51 3k3g h LEU 139 N -0.02 0.67 0.00 -4.49 3.38 -1.03 0.11 115.31 113.92 3k3g h LEU 139 Ca 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3k3g h LEU 139 Cb 0.30 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3k3g h LEU 139 CO -0.40 0.51 -0.38 -0.07 0.09 0.00 0.00 178.44 178.19 3k3g h LEU 140 N 0.78 0.00 0.01 1.67 3.38 -0.37 -3.39 115.31 117.40 3k3g h LEU 140 Ca 0.21 -0.03 -0.40 0.00 0.09 0.00 0.00 57.88 57.75 3k3g h LEU 140 Cb -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3k3g h LEU 140 CO -0.04 0.02 -2.40 0.23 0.09 0.00 0.00 178.44 176.34 3k3g n MET 141 N -2.72 0.65 -0.24 1.13 2.81 0.14 -4.62 117.12 114.27 3k3g n MET 141 Ca 0.03 0.20 0.15 0.00 -1.81 0.00 0.00 57.70 56.27 3k3g n MET 141 Cb 0.51 -1.54 0.45 0.00 -0.71 0.00 0.00 33.22 31.92 3k3g n MET 141 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 3k3g h PHE 142 N -0.24 0.66 -0.01 2.03 -1.00 -1.00 -2.06 116.94 115.32 3k3g h PHE 142 Ca -0.58 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.22 3k3g h PHE 142 Cb 1.84 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 41.19 3k3g h PHE 142 CO 0.01 0.22 0.00 0.41 -1.61 0.00 0.00 178.31 177.34 3k3g n GLY 143 N -1.48 -0.88 0.36 -1.45 0.00 -1.26 -4.16 105.19 96.31 3k3g n GLY 143 Ca 0.17 -0.15 0.18 0.00 0.00 0.00 0.00 46.02 46.23 3k3g n GLY 143 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3k3g h VAL 144 N 0.20 0.78 0.00 1.61 3.04 -1.56 -0.13 116.25 120.19 3k3g h VAL 144 Ca 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3k3g h VAL 144 Cb 0.04 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 3k3g h VAL 144 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.57 178.44 3k3g h TYR 145 N 0.00 0.00 0.00 3.17 0.05 -1.85 -3.23 116.97 115.11 3k3g h TYR 145 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 3k3g h TYR 145 Cb 0.84 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.58 3k3g h TYR 145 CO -0.00 0.00 -1.57 1.63 -1.05 0.00 0.00 178.16 177.17 3k3g n LYS 146 N -3.01 0.47 -3.77 4.88 5.02 -0.20 -4.83 118.16 116.73 3k3g n LYS 146 Ca 0.02 -0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 55.89 3k3g n LYS 146 Cb 0.36 -1.30 -0.15 0.00 -0.02 0.00 0.00 35.03 33.92 3k3g n LYS 146 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3k3g s LEU 147 N -3.87 2.72 -0.08 -0.35 1.43 -0.37 -5.03 118.68 113.14 3k3g s LEU 147 Ca -0.04 -1.95 0.07 0.00 -1.03 0.00 0.00 54.13 51.17 3k3g s LEU 147 Cb 0.08 -1.02 0.34 0.00 0.03 0.00 0.00 46.19 45.62 3k3g s LEU 147 CO 0.54 -0.37 1.09 -1.20 0.23 0.00 0.00 176.35 176.64 3k3g n SER 148 N 4.44 2.69 -0.18 2.29 7.64 -1.25 -4.34 113.62 124.91 3k3g n SER 148 Ca 0.01 -2.29 -0.01 0.00 1.01 0.00 0.00 58.87 57.59 3k3g n SER 148 Cb 0.40 -0.48 0.09 0.00 -1.01 0.00 0.00 64.21 63.20 3k3g n SER 148 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3k3g h LEU 149 N 1.76 0.13-10.06 -3.43 5.85 -1.96 -3.41 115.31 104.19 3k3g h LEU 149 Ca 0.00 0.08 -0.48 0.00 0.84 0.00 0.00 57.88 58.32 3k3g h LEU 149 Cb 0.95 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 3k3g h LEU 149 CO 0.16 0.09 -0.46 -0.36 -0.34 0.00 0.00 178.44 177.52 3k3g s PHE 150 N -6.12 3.19 -0.09 1.25 0.08 -1.26 -4.95 117.98 110.09 3k3g s PHE 150 Ca -0.13 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 56.82 3k3g s PHE 150 Cb 0.16 -1.58 0.01 0.00 -0.57 0.00 0.00 43.02 41.05 3k3g s PHE 150 CO 0.74 0.39 -0.15 -1.01 -0.10 0.00 0.00 175.22 175.09 3k3g s HIS 151 N -2.11 1.83 0.49 0.36 3.76 -1.26 -4.97 115.29 113.39 3k3g s HIS 151 Ca 0.36 -0.79 -0.22 0.00 -0.15 0.00 0.00 55.06 54.25 3k3g s HIS 151 Cb -0.08 -1.32 -0.06 0.00 1.11 0.00 0.00 32.58 32.22 3k3g s HIS 151 CO 0.27 -0.40 1.22 -1.25 -0.85 0.00 0.00 174.74 173.73 3k3g s PRO 152 N 0.83 3.54 0.99 8.40 0.04 -1.26 -1.12 135.00 146.43 3k3g s PRO 152 Ca -0.10 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 3k3g s PRO 152 Cb -0.15 -2.33 0.20 0.00 0.04 0.00 0.00 34.50 32.25 3k3g s PRO 152 CO 0.01 -0.76 1.21 0.20 0.04 0.00 0.00 177.00 177.71 3k3g s GLY 153 N -1.28 1.67 0.20 0.56 0.00 0.64 -4.70 107.32 104.41 3k3g s GLY 153 Ca 0.67 -0.93 0.20 0.00 0.00 0.00 0.00 44.72 44.66 3k3g s GLY 153 CO 0.38 -0.21 1.63 0.00 0.00 0.00 0.00 173.10 174.90 3k3g n ALA 154 N -3.97 1.56 0.30 3.20 0.00 -1.26 -1.84 120.51 118.50 3k3g n ALA 154 Ca 0.12 0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.81 3k3g n ALA 154 Cb 0.60 -1.33 0.85 0.00 0.00 0.00 0.00 19.45 19.56 3k3g n ALA 154 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3k3g h LEU 155 N 0.00 0.00 -8.07 0.00 3.38 -1.93 -3.40 115.31 105.29 3k3g h LEU 155 Ca 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.24 3k3g h LEU 155 Cb 0.28 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.76 3k3g h LEU 155 CO 0.00 0.00 -0.36 -0.63 0.09 0.00 0.00 178.44 177.54 3k3g s ILE 156 N -3.78 4.57 -0.32 1.22 1.01 -0.77 -4.91 121.20 118.22 3k3g s ILE 156 Ca -0.01 -1.53 0.01 0.00 0.00 0.00 0.00 60.65 59.12 3k3g s ILE 156 Cb 0.10 -3.90 0.14 0.00 0.01 0.00 0.00 42.46 38.81 3k3g s ILE 156 CO 0.45 -0.71 0.33 0.00 0.00 0.00 0.00 174.94 175.01 3k3g s ALA 157 N 1.47 -0.47 0.16 9.38 0.00 -1.23 -4.84 121.76 126.23 3k3g s ALA 157 Ca 0.04 -0.56 -0.33 0.00 0.00 0.00 0.00 51.96 51.11 3k3g s ALA 157 Cb -0.26 -1.91 -0.13 0.00 0.00 0.00 0.00 23.12 20.83 3k3g s ALA 157 CO 0.02 -1.88 1.67 -2.30 0.00 0.00 0.00 175.76 173.27 3k3g n PRO 158 N 4.90 2.44 -3.65 0.00 -0.02 -1.26 -4.47 135.00 132.95 3k3g n PRO 158 Ca 0.03 0.88 -0.15 0.00 -2.02 0.00 0.00 63.50 62.24 3k3g n PRO 158 Cb 0.46 -2.70 -0.08 0.00 -0.02 0.00 0.00 33.50 31.17 3k3g n PRO 158 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k3g s ALA 159 N 1.34 -1.27 0.35 3.55 0.00 -0.53 -4.89 121.76 120.30 3k3g s ALA 159 Ca 0.78 0.91 -0.28 0.00 0.00 0.00 0.00 51.96 53.37 3k3g s ALA 159 Cb -0.60 -0.09 -0.10 0.00 0.00 0.00 0.00 23.12 22.34 3k3g s ALA 159 CO 0.36 -0.30 1.25 -0.51 0.00 0.00 0.00 175.76 176.56 3k3g s LEU 160 N -1.04 4.38 0.68 0.00 1.43 -1.26 -2.48 118.68 120.39 3k3g s LEU 160 Ca -0.11 2.55 -0.15 0.00 -1.03 0.00 0.00 54.13 55.40 3k3g s LEU 160 Cb -0.03 -3.75 0.01 0.00 0.03 0.00 0.00 46.19 42.45 3k3g s LEU 160 CO 0.06 -0.54 1.13 -2.16 0.23 0.00 0.00 176.35 175.07 3k3g s PRO 161 N -1.89 2.62 0.19 1.29 0.04 -1.26 -4.98 135.00 131.00 3k3g s PRO 161 Ca 0.51 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.85 3k3g s PRO 161 Cb -0.37 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.28 3k3g s PRO 161 CO 0.48 -1.41 0.51 -1.54 0.04 0.00 0.00 177.00 175.08 3k3g s SER 162 N -2.47 -0.25 0.61 6.66 1.04 -1.26 -5.17 113.70 112.86 3k3g s SER 162 Ca 0.68 -0.48 -0.19 0.00 0.48 0.00 0.00 55.95 56.45 3k3g s SER 162 Cb -0.22 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 3k3g s SER 162 CO 0.43 -1.04 1.28 -0.69 0.98 0.00 0.00 173.24 174.20 3k3g s VAL 163 N -3.87 2.21 0.00 5.02 1.01 -1.26 -5.24 120.40 118.27 3k3g s VAL 163 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3k3g s VAL 163 Cb -0.01 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.31 3k3g s VAL 163 CO -0.03 -0.02 0.00 -0.67 0.00 0.00 0.00 175.10 174.37 3k3g n ASP 168 N -1.65 0.00 0.18 3.32 2.03 -1.26 -5.27 116.55 113.90 3k3g n ASP 168 Ca 0.14 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.51 3k3g n ASP 168 Cb 0.48 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 41.19 3k3g n ASP 168 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3k3g h MET 169 N 0.00 0.00 0.00 -0.67 2.86 -1.98 -3.43 114.93 111.71 3k3g h MET 169 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3k3g h MET 169 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3k3g h MET 169 CO 0.00 0.38 0.00 0.41 1.06 0.00 0.00 176.91 178.76 3k3g n GLY 170 N 0.34 -1.19 2.73 8.32 0.00 -1.26 -1.52 105.19 112.61 3k3g n GLY 170 Ca 0.00 -1.22 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 3k3g n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k3g s THR 171 N 0.00 0.03 0.01 2.61 2.01 -1.26 -4.85 115.64 114.19 3k3g s THR 171 Ca 0.00 0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 3k3g s THR 171 Cb 0.00 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 3k3g s THR 171 CO 0.00 0.17 1.06 -0.69 -0.69 0.00 0.00 174.62 174.48 3k3g s VAL 172 N 1.75 4.56 0.35 3.82 1.01 -1.26 -4.94 120.40 125.69 3k3g s VAL 172 Ca 0.00 1.84 0.06 0.00 0.00 0.00 0.00 61.98 63.88 3k3g s VAL 172 Cb -0.12 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3k3g s VAL 172 CO -0.03 0.13 0.23 0.35 0.00 0.00 0.00 175.10 175.78 3k3g n THR 173 N 3.97 0.00 -0.30 3.92 -2.24 -1.26 -5.01 114.28 113.36 3k3g n THR 173 Ca 0.07 -2.37 0.10 0.00 -2.27 0.00 0.00 64.05 59.58 3k3g n THR 173 Cb 0.49 1.06 0.33 0.00 -2.10 0.00 0.00 70.33 70.11 3k3g n THR 173 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3k3g h GLY 174 N 1.86 1.36 0.87 3.38 0.00 -2.01 -2.32 103.07 106.21 3k3g h GLY 174 Ca -0.26 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 46.76 3k3g h GLY 174 CO 0.39 0.12 0.63 -0.09 0.00 0.00 0.00 176.54 177.59 3k3g h ARG 175 N 0.80 1.18 -1.02 4.80 2.43 -1.98 -1.73 114.38 118.86 3k3g h ARG 175 Ca 0.46 -0.07 0.24 0.00 -0.81 0.00 0.00 59.98 59.81 3k3g h ARG 175 Cb 0.63 -0.27 -0.11 0.00 -0.42 0.00 0.00 29.97 29.81 3k3g h ARG 175 CO -0.23 0.78 0.63 1.15 -1.51 0.00 0.00 179.97 180.79 3k3g h THR 176 N 1.21 0.56 0.13 0.20 2.02 -1.78 -0.63 112.91 114.63 3k3g h THR 176 Ca 0.38 -0.18 -0.31 0.00 0.77 0.00 0.00 66.41 67.08 3k3g h THR 176 Cb 0.01 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.40 3k3g h THR 176 CO -0.12 0.10 -1.56 -0.26 0.37 0.00 0.00 175.52 174.04 3k3g h PHE 177 N 0.53 0.52 -0.07 3.16 0.04 -1.39 -2.00 116.94 117.73 3k3g h PHE 177 Ca 0.61 -0.38 -0.14 0.00 2.80 0.00 0.00 57.97 60.86 3k3g h PHE 177 Cb 1.28 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 39.42 3k3g h PHE 177 CO -0.00 1.61 -0.52 0.52 -0.60 0.00 0.00 178.31 179.32 3k3g h MET 178 N -0.17 0.48 -0.16 1.51 2.86 -1.24 -0.99 114.93 117.23 3k3g h MET 178 Ca -0.33 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 56.85 3k3g h MET 178 Cb 1.87 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 33.62 3k3g h MET 178 CO 0.09 1.06 -0.07 1.49 1.06 0.00 0.00 176.91 180.54 3k3g h GLU 179 N 0.05 0.32 -0.39 1.72 4.81 -1.30 -3.08 114.58 116.72 3k3g h GLU 179 Ca -0.04 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3k3g h GLU 179 Cb 1.18 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 3k3g h GLU 179 CO 0.11 0.63 0.11 0.78 -0.73 0.00 0.00 179.01 179.91 3k3g h GLY 180 N 0.00 0.48 0.28 1.92 0.00 -0.79 -0.45 103.07 104.51 3k3g h GLY 180 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3k3g h GLY 180 CO 0.02 -0.00 -0.50 -2.00 0.00 0.00 0.00 176.54 174.06 3k3g h LEU 181 N 0.25 -1.46 0.00 3.11 5.85 -1.23 -1.02 115.31 120.81 3k3g h LEU 181 Ca 0.18 0.14 -0.21 0.00 0.84 0.00 0.00 57.88 58.83 3k3g h LEU 181 Cb 0.19 0.52 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 3k3g h LEU 181 CO -0.21 -0.59 -1.05 -0.26 -0.34 0.00 0.00 178.44 176.00 3k3g h PHE 182 N -0.84 0.00 0.00 1.25 0.04 -1.44 -2.71 116.94 113.24 3k3g h PHE 182 Ca -0.03 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.67 3k3g h PHE 182 Cb 0.78 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 3k3g h PHE 182 CO -0.37 0.96 -0.31 0.87 -0.60 0.00 0.00 178.31 178.86 3k3g h LYS 183 N 0.00 0.00 -0.94 1.51 1.57 -1.17 -0.22 116.57 117.33 3k3g h LYS 183 Ca -0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3k3g h LYS 183 Cb 1.76 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.03 3k3g h LYS 183 CO 0.12 0.31 0.57 0.78 -0.57 0.00 0.00 179.45 180.66 3k3g h GLY 184 N 1.96 1.36 0.29 3.86 0.00 -0.86 0.58 103.07 110.26 3k3g h GLY 184 Ca -0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 3k3g h GLY 184 CO 0.04 0.54 -0.01 -2.08 0.00 0.00 0.00 176.54 175.03 3k3g h VAL 185 N 1.29 1.44 -0.91 4.60 2.07 -1.38 -3.08 116.25 120.28 3k3g h VAL 185 Ca 0.34 -1.60 0.13 0.00 0.82 0.00 0.00 66.70 66.39 3k3g h VAL 185 Cb -0.06 2.49 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 3k3g h VAL 185 CO -0.06 0.40 0.59 1.23 0.02 0.00 0.00 177.57 179.74 3k3g h GLY 186 N -0.74 1.31 2.00 2.17 0.00 -0.89 -2.02 103.07 104.90 3k3g h GLY 186 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3k3g h GLY 186 CO 0.01 0.11 0.00 1.18 0.00 0.00 0.00 176.54 177.84 3k3g n GLU 187 N -4.57 0.06 -0.30 4.80 -0.58 0.20 -0.92 120.64 119.32 3k3g n GLU 187 Ca 0.17 0.24 0.13 0.00 -0.42 0.00 0.00 57.16 57.28 3k3g n GLU 187 Cb 0.43 -1.59 0.37 0.00 -0.57 0.00 0.00 31.44 30.07 3k3g n GLU 187 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3k3g h VAL 188 N 0.00 0.79 -0.40 2.62 2.07 -1.43 -1.78 116.25 118.11 3k3g h VAL 188 Ca 0.00 -0.24 -0.23 0.00 0.82 0.00 0.00 66.70 67.04 3k3g h VAL 188 Cb 0.35 0.01 -0.14 0.00 -1.52 0.00 0.00 31.29 29.99 3k3g h VAL 188 CO 0.00 0.13 -0.15 0.23 0.02 0.00 0.00 177.57 177.80 3k3g n MET 189 N -4.61 2.04 -3.50 1.57 2.81 -0.79 -4.96 117.12 109.67 3k3g n MET 189 Ca 0.20 -3.32 -0.25 0.00 -1.81 0.00 0.00 57.70 52.52 3k3g n MET 189 Cb 0.52 -1.87 0.06 0.00 -0.71 0.00 0.00 33.22 31.21 3k3g n MET 189 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3k3g n PHE 190 N -1.07 -2.52 -3.70 2.03 3.72 -0.67 -4.96 117.46 110.28 3k3g n PHE 190 Ca 0.35 0.85 -0.38 0.00 -0.05 0.00 0.00 57.45 58.22 3k3g n PHE 190 Cb 0.98 -4.64 -0.10 0.00 -0.94 0.00 0.00 39.48 34.78 3k3g n PHE 190 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3k3g s GLN 191 N -6.20 2.29 -1.24 -1.08 -1.52 -0.10 -4.94 119.66 106.88 3k3g s GLN 191 Ca 0.52 -2.01 -0.16 0.00 -1.95 0.00 0.00 55.36 51.76 3k3g s GLN 191 Cb -0.24 -3.72 -0.03 0.00 -0.22 0.00 0.00 33.01 28.80 3k3g s GLN 191 CO 0.65 -1.13 2.16 -3.47 -0.25 0.00 0.00 175.29 173.25 3k3g n ASP 192 N 4.35 3.68 -3.44 5.90 4.64 -1.26 -3.56 116.55 126.86 3k3g n ASP 192 Ca -0.00 -2.77 0.01 0.00 -1.38 0.00 0.00 54.79 50.65 3k3g n ASP 192 Cb 0.40 -1.47 -0.03 0.00 -1.04 0.00 0.00 41.12 38.99 3k3g n ASP 192 CO 0.00 0.00 0.00 0.21 -0.82 0.00 0.00 177.20 176.59 3k3g s ASN 193 N 3.73 -1.24 0.12 1.67 3.84 -1.26 -5.05 114.94 116.74 3k3g s ASN 193 Ca 0.51 1.28 -0.21 0.00 0.21 0.00 0.00 52.86 54.65 3k3g s ASN 193 Cb 0.14 2.25 -0.07 0.00 -0.55 0.00 0.00 41.25 43.02 3k3g s ASN 193 CO -0.02 -0.24 1.71 0.40 -2.79 0.00 0.00 177.10 176.16 3k3g h ILE 194 N 6.00 0.84 -0.61 -5.21 2.04 -1.86 -2.10 117.51 116.60 3k3g h ILE 194 Ca -0.20 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3k3g h ILE 194 Cb 1.13 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3k3g h ILE 194 CO 0.17 0.00 0.23 0.58 0.00 0.00 0.00 178.15 179.13 3k3g h VAL 195 N -0.03 1.23 -0.65 1.67 2.07 -1.96 -1.09 116.25 117.48 3k3g h VAL 195 Ca 0.06 -0.73 0.10 0.00 0.82 0.00 0.00 66.70 66.95 3k3g h VAL 195 Cb 0.12 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 3k3g h VAL 195 CO -0.14 0.29 0.27 0.74 0.02 0.00 0.00 177.57 178.75 3k3g h THR 196 N 0.85 0.78 -0.69 2.57 2.02 -1.80 0.13 112.91 116.77 3k3g h THR 196 Ca 0.20 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.23 3k3g h THR 196 Cb 0.22 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3k3g h THR 196 CO -0.02 0.09 0.45 1.23 0.37 0.00 0.00 175.52 177.64 3k3g h GLY 197 N 0.47 0.98 0.98 2.16 0.00 -0.64 0.63 103.07 107.64 3k3g h GLY 197 Ca 0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3k3g h GLY 197 CO -0.30 0.34 -0.19 -2.08 0.00 0.00 0.00 176.54 174.31 3k3g h VAL 198 N 0.92 0.61 -0.62 4.60 2.07 -0.49 -1.15 116.25 122.19 3k3g h VAL 198 Ca 0.26 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.91 3k3g h VAL 198 Cb -0.08 0.61 -0.10 0.00 -1.52 0.00 0.00 31.29 30.20 3k3g h VAL 198 CO -0.07 0.00 0.03 0.40 0.02 0.00 0.00 177.57 177.95 3k3g h ILE 199 N -0.51 0.52 -0.70 4.57 2.04 -0.54 0.30 117.51 123.19 3k3g h ILE 199 Ca -0.05 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3k3g h ILE 199 Cb 0.40 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 3k3g h ILE 199 CO 0.07 0.03 0.39 -0.26 0.00 0.00 0.00 178.15 178.37 3k3g h PHE 200 N 0.15 0.71 -0.41 1.37 -1.00 -0.60 0.23 116.94 117.38 3k3g h PHE 200 Ca 0.33 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 61.07 3k3g h PHE 200 Cb 0.53 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 3k3g h PHE 200 CO -0.34 0.33 0.02 0.28 -1.61 0.00 0.00 178.31 176.99 3k3g h VAL 201 N 0.70 1.25 -0.34 -0.55 2.07 0.19 -1.89 116.25 117.68 3k3g h VAL 201 Ca 0.32 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3k3g h VAL 201 Cb 0.22 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3k3g h VAL 201 CO -0.20 0.33 0.15 0.58 0.02 0.00 0.00 177.57 178.46 3k3g h VAL 202 N 0.54 0.96 -0.73 2.57 2.07 -0.47 -0.91 116.25 120.28 3k3g h VAL 202 Ca 0.12 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.64 3k3g h VAL 202 Cb 0.44 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 3k3g h VAL 202 CO 0.02 0.06 0.35 0.00 0.02 0.00 0.00 177.57 178.01 3k3g h ALA 203 N 1.19 1.02 -0.44 1.67 0.00 -0.31 -1.30 119.26 121.08 3k3g h ALA 203 Ca 0.15 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3k3g h ALA 203 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3k3g h ALA 203 CO -0.12 -0.08 -0.03 0.82 0.00 0.00 0.00 179.25 179.84 3k3g h ILE 204 N 0.57 1.27 -1.00 0.00 2.04 -1.07 -3.09 117.51 116.22 3k3g h ILE 204 Ca 0.37 -1.09 0.18 0.00 1.00 0.00 0.00 64.86 65.33 3k3g h ILE 204 Cb 0.44 1.09 -0.10 0.00 -0.74 0.00 0.00 36.82 37.51 3k3g h ILE 204 CO -0.30 0.37 0.62 0.25 0.00 0.00 0.00 178.15 179.08 3k3g h LEU 205 N 0.64 0.80 -0.73 1.44 5.85 -0.07 0.15 115.31 123.38 3k3g h LEU 205 Ca 0.12 0.09 0.12 0.00 0.84 0.00 0.00 57.88 59.05 3k3g h LEU 205 Cb 0.53 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 3k3g h LEU 205 CO 0.03 0.30 0.32 0.58 -0.34 0.00 0.00 178.44 179.33 3k3g h VAL 206 N 0.79 0.75 0.12 1.05 2.07 -1.26 -3.08 116.25 116.67 3k3g h VAL 206 Ca 0.57 -0.18 -0.34 0.00 0.82 0.00 0.00 66.70 67.57 3k3g h VAL 206 Cb 0.85 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3k3g h VAL 206 CO -0.36 0.09 -1.82 -1.13 0.02 0.00 0.00 177.57 174.37 3k3g h ASN 207 N 0.51 0.38 -2.35 0.57 -1.24 -1.40 -3.48 115.58 108.57 3k3g h ASN 207 Ca 0.38 -0.72 -0.01 0.00 0.71 0.00 0.00 56.30 56.66 3k3g h ASN 207 Cb 0.51 -0.12 -0.23 0.00 0.73 0.00 0.00 38.32 39.20 3k3g h ASN 207 CO -0.34 1.63 -0.23 -0.55 -1.29 0.00 0.00 177.43 176.66 3k3g s SER 208 N -6.92 -0.73 0.10 1.15 0.15 0.42 -5.03 113.70 102.84 3k3g s SER 208 Ca -0.16 1.30 -0.16 0.00 0.70 0.00 0.00 55.95 57.63 3k3g s SER 208 Cb 0.07 1.76 -0.06 0.00 -1.71 0.00 0.00 66.02 66.08 3k3g s SER 208 CO 0.81 -0.22 1.49 -0.09 1.20 0.00 0.00 173.24 176.43 3k3g h ARG 209 N 7.95 0.65 -0.64 5.44 2.43 -1.80 -2.30 114.38 126.10 3k3g h ARG 209 Ca -0.19 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 3k3g h ARG 209 Cb 1.12 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 3k3g h ARG 209 CO 0.12 0.84 0.34 0.82 -1.51 0.00 0.00 179.97 180.59 3k3g h ILE 210 N 0.42 1.21 0.00 1.20 2.04 -1.95 -1.32 117.51 119.11 3k3g h ILE 210 Ca 0.08 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 3k3g h ILE 210 Cb 0.62 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3k3g h ILE 210 CO 0.04 0.23 -0.35 0.28 0.00 0.00 0.00 178.15 178.35 3k3g h SER 211 N 0.88 0.00 -0.35 1.72 0.02 -1.83 -1.35 113.55 112.63 3k3g h SER 211 Ca 0.22 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.02 3k3g h SER 211 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3k3g h SER 211 CO -0.03 0.35 -0.36 0.00 -1.14 0.00 0.00 176.83 175.65 3k3g h ALA 212 N 1.65 0.65 -0.62 3.77 0.00 -0.80 -1.81 119.26 122.11 3k3g h ALA 212 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 3k3g h ALA 212 Cb 0.62 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3k3g h ALA 212 CO 0.04 0.67 0.01 1.25 0.00 0.00 0.00 179.25 181.23 3k3g h LEU 213 N 0.74 1.05 -0.82 0.00 5.85 -0.94 -2.55 115.31 118.63 3k3g h LEU 213 Ca 0.07 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.37 3k3g h LEU 213 Cb 0.93 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3k3g h LEU 213 CO 0.09 1.09 -0.57 -0.26 -0.34 0.00 0.00 178.44 178.45 3k3g h PHE 214 N 0.98 0.08 -0.45 1.25 0.04 -1.18 0.17 116.94 117.84 3k3g h PHE 214 Ca 0.18 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.93 3k3g h PHE 214 Cb 0.54 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 3k3g h PHE 214 CO 0.04 0.62 0.29 0.00 -0.60 0.00 0.00 178.31 178.65 3k3g h ALA 215 N 1.38 0.57 -0.05 2.45 0.00 -1.21 0.19 119.26 122.59 3k3g h ALA 215 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k3g h ALA 215 Cb 1.02 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3k3g h ALA 215 CO 0.08 -0.00 0.02 0.28 0.00 0.00 0.00 179.25 179.62 3k3g h VAL 216 N 0.59 1.17 -0.32 0.00 2.07 -0.99 -2.40 116.25 116.37 3k3g h VAL 216 Ca 0.17 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.19 3k3g h VAL 216 Cb -0.05 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3k3g h VAL 216 CO -0.05 0.14 0.17 0.40 0.02 0.00 0.00 177.57 178.25 3k3g h ILE 217 N -0.12 1.00 -0.08 4.57 2.04 -0.59 -2.15 117.51 122.19 3k3g h ILE 217 Ca 0.02 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.80 3k3g h ILE 217 Cb 0.22 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 3k3g h ILE 217 CO -0.00 0.06 -0.20 1.23 0.00 0.00 0.00 178.15 179.24 3k3g h GLY 218 N 0.35 -0.22 0.61 5.37 0.00 -0.62 0.24 103.07 108.81 3k3g h GLY 218 Ca 0.13 0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.77 3k3g h GLY 218 CO -0.08 -0.18 0.35 0.23 0.00 0.00 0.00 176.54 176.86 3k3g h SER 219 N -0.28 0.49 -0.24 0.19 0.87 -1.29 0.25 113.55 113.55 3k3g h SER 219 Ca 0.08 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3k3g h SER 219 Cb 0.40 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 3k3g h SER 219 CO -0.24 0.31 0.04 -0.07 -0.53 0.00 0.00 176.83 176.34 3k3g h LEU 220 N 0.63 0.38 -0.63 2.23 3.38 -0.99 -1.41 115.31 118.89 3k3g h LEU 220 Ca 0.31 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3k3g h LEU 220 Cb 0.24 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3k3g h LEU 220 CO -0.21 0.54 0.41 0.58 0.09 0.00 0.00 178.44 179.85 3k3g h VAL 221 N 0.20 1.14 0.10 1.22 2.07 -0.17 -0.73 116.25 120.07 3k3g h VAL 221 Ca 0.07 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3k3g h VAL 221 Cb 0.32 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3k3g h VAL 221 CO 0.00 0.15 -0.05 1.23 0.02 0.00 0.00 177.57 178.93 3k3g h GLY 222 N 0.83 -0.14 -0.00 2.17 0.00 -0.92 0.57 103.07 105.57 3k3g h GLY 222 Ca 0.24 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.65 3k3g h GLY 222 CO -0.07 -0.05 -0.51 -2.00 0.00 0.00 0.00 176.54 173.91 3k3g h LEU 223 N -0.23 -1.58 -0.53 3.11 6.46 -1.12 -1.91 115.31 119.52 3k3g h LEU 223 Ca -0.01 0.18 -0.16 0.00 -0.12 0.00 0.00 57.88 57.77 3k3g h LEU 223 Cb 0.19 0.61 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 3k3g h LEU 223 CO 0.02 -0.50 -0.71 0.00 -0.62 0.00 0.00 178.44 176.63 3k3g h THR 225 N 0.10 0.63 -0.63 0.00 2.02 -0.83 0.21 112.91 114.42 3k3g h THR 225 Ca -0.02 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3k3g h THR 225 Cb 1.27 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 3k3g h THR 225 CO 0.10 0.01 0.28 0.00 0.37 0.00 0.00 175.52 176.28 3k3g h ALA 226 N 1.39 1.30 -0.05 6.16 0.00 -1.05 0.09 119.26 127.10 3k3g h ALA 226 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3k3g h ALA 226 Cb 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3k3g h ALA 226 CO -0.38 0.53 -0.03 -0.07 0.00 0.00 0.00 179.25 179.29 3k3g h LEU 227 N 0.90 0.12 -1.12 0.00 3.38 -0.92 -0.31 115.31 117.36 3k3g h LEU 227 Ca 0.22 -0.43 0.22 0.00 0.09 0.00 0.00 57.88 57.97 3k3g h LEU 227 Cb 0.13 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.75 3k3g h LEU 227 CO -0.02 0.52 0.62 0.40 0.09 0.00 0.00 178.44 180.05 3k3g h ILE 228 N -0.29 0.64 -0.10 1.22 2.04 -0.42 -0.65 117.51 119.95 3k3g h ILE 228 Ca 0.01 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3k3g h ILE 228 Cb 0.48 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3k3g h ILE 228 CO 0.01 0.11 0.00 0.23 0.00 0.00 0.00 178.15 178.50 3k3g n MET 229 N -4.74 1.40 -3.00 2.37 2.81 0.00 -4.92 117.12 111.04 3k3g n MET 229 Ca 0.24 -0.60 -0.14 0.00 -1.81 0.00 0.00 57.70 55.39 3k3g n MET 229 Cb 0.67 -1.33 0.04 0.00 -0.71 0.00 0.00 33.22 31.90 3k3g n MET 229 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3k3g n HIS 230 N -0.17 -1.54 -2.06 2.03 8.25 -0.25 -5.02 115.22 116.46 3k3g n HIS 230 Ca 0.14 0.51 -0.39 0.00 -0.26 0.00 0.00 57.72 57.72 3k3g n HIS 230 Cb 0.20 -3.32 0.00 0.00 1.12 0.00 0.00 29.99 27.99 3k3g n HIS 230 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3k3g s SER 231 N -3.06 6.14 0.62 0.41 0.15 -0.19 -5.01 113.70 112.76 3k3g s SER 231 Ca 0.29 2.59 -0.18 0.00 0.70 0.00 0.00 55.95 59.36 3k3g s SER 231 Cb -0.13 -2.63 -0.06 0.00 -1.71 0.00 0.00 66.02 61.50 3k3g s SER 231 CO 0.36 -0.96 0.77 -2.65 1.20 0.00 0.00 173.24 171.96 3k3g n PRO 232 N -0.17 0.66 -0.10 5.44 -0.02 -1.26 -4.81 135.00 134.74 3k3g n PRO 232 Ca 0.05 0.26 -0.03 0.00 -2.02 0.00 0.00 63.50 61.77 3k3g n PRO 232 Cb 0.45 -1.98 0.20 0.00 -0.02 0.00 0.00 33.50 32.15 3k3g n PRO 232 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3k3g h GLU 233 N 0.23 0.76 0.17 -0.52 4.22 -1.55 -3.34 114.58 114.55 3k3g h GLU 233 Ca -0.47 -0.17 0.01 0.00 0.08 0.00 0.00 59.36 58.81 3k3g h GLU 233 Cb 1.37 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3k3g h GLU 233 CO 0.48 0.73 -0.32 1.15 -2.18 0.00 0.00 179.01 178.87 3k3g h THR 234 N 0.72 0.33 -0.96 0.32 2.02 -1.90 0.24 112.91 113.68 3k3g h THR 234 Ca 0.15 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.43 3k3g h THR 234 Cb 0.35 0.33 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 3k3g h THR 234 CO 0.01 0.00 0.60 -0.65 0.37 0.00 0.00 175.52 175.85 3k3g h PRO 235 N -0.57 0.97 0.05 6.66 0.11 -1.98 -1.64 132.00 135.61 3k3g h PRO 235 Ca 0.02 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3k3g h PRO 235 Cb 0.58 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3k3g h PRO 235 CO -0.15 0.64 -0.02 0.28 -0.21 0.00 0.00 178.00 178.54 3k3g h VAL 236 N 1.00 1.00 -1.00 3.15 2.07 -1.53 -1.84 116.25 119.11 3k3g h VAL 236 Ca 0.45 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 67.90 3k3g h VAL 236 Cb 0.35 1.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 3k3g h VAL 236 CO -0.23 0.04 0.64 -0.09 0.02 0.00 0.00 177.57 177.95 3k3g h ARG 237 N -0.14 1.05 0.00 1.57 2.43 -0.72 -1.71 114.38 116.85 3k3g h ARG 237 Ca -0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3k3g h ARG 237 Cb 0.12 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3k3g h ARG 237 CO 0.01 0.69 0.00 1.28 -1.51 0.00 0.00 179.97 180.44 3k3g n LEU 238 N -4.57 0.00 -0.42 3.80 4.77 -0.64 -2.09 117.00 117.85 3k3g n LEU 238 Ca 0.17 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.10 3k3g n LEU 238 Cb 0.28 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3k3g n LEU 238 CO 0.29 0.00 -0.05 0.61 -1.33 0.00 0.00 177.39 176.91 3k3g n GLY 239 N 0.46 0.78 0.20 -0.72 0.00 -0.64 -4.60 105.19 100.66 3k3g n GLY 239 Ca 0.14 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.87 3k3g n GLY 239 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k3g h LEU 240 N 0.00 0.00 -2.38 0.99 3.38 -1.54 -2.36 115.31 113.40 3k3g h LEU 240 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3k3g h LEU 240 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3k3g h LEU 240 CO 0.17 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.48 3k3g n TYR 241 N -2.65 0.49 -0.12 1.13 4.01 -1.26 -4.54 117.16 114.22 3k3g n TYR 241 Ca 0.02 -0.30 -0.17 0.00 -0.16 0.00 0.00 57.90 57.28 3k3g n TYR 241 Cb 0.30 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 39.19 3k3g n TYR 241 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k3g n GLY 242 N 1.20 -0.43 0.30 2.72 0.00 -0.89 -3.51 105.19 104.57 3k3g n GLY 242 Ca 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 3k3g n GLY 242 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3k3g h PHE 243 N 0.00 0.85 -0.58 1.61 -0.00 -1.47 0.31 116.94 117.67 3k3g h PHE 243 Ca -0.56 -0.09 -0.06 0.00 -0.00 0.00 0.00 57.97 57.25 3k3g h PHE 243 Cb 1.94 -0.24 -0.02 0.00 -0.00 0.00 0.00 35.95 37.62 3k3g h PHE 243 CO 0.03 0.74 0.13 -0.91 -0.00 0.00 0.00 178.31 178.30 3k3g h ASN 244 N 0.78 0.88 0.59 -0.68 2.35 -1.87 -2.70 115.58 114.94 3k3g h ASN 244 Ca 0.17 -0.24 -0.10 0.00 -0.55 0.00 0.00 56.30 55.58 3k3g h ASN 244 Cb 0.35 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3k3g h ASN 244 CO 0.01 0.89 -0.47 0.28 -1.65 0.00 0.00 177.43 176.49 3k3g h SER 245 N 0.83 0.00 0.07 5.81 0.02 -1.46 -0.96 113.55 117.87 3k3g h SER 245 Ca 0.18 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3k3g h SER 245 Cb 0.36 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3k3g h SER 245 CO 0.00 0.47 -0.12 0.58 -1.14 0.00 0.00 176.83 176.62 3k3g h VAL 246 N 0.00 0.73 -0.66 2.27 2.07 -0.25 0.90 116.25 121.32 3k3g h VAL 246 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3k3g h VAL 246 Cb 0.89 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3k3g h VAL 246 CO 0.06 0.00 0.26 -0.07 0.02 0.00 0.00 177.57 177.84 3k3g h LEU 247 N -0.23 0.91 -0.12 2.57 3.38 -1.15 -1.51 115.31 119.16 3k3g h LEU 247 Ca 0.02 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3k3g h LEU 247 Cb 0.25 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3k3g h LEU 247 CO -0.06 0.83 -0.13 0.00 0.09 0.00 0.00 178.44 179.17 3k3g h GLY 249 N -0.16 -0.02 0.92 0.00 0.00 -0.25 -0.11 103.07 103.44 3k3g h GLY 249 Ca 0.09 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 3k3g h GLY 249 CO -0.21 -0.14 0.10 -2.22 0.00 0.00 0.00 176.54 174.07 3k3g h ILE 250 N -0.14 1.14 -0.32 2.60 2.04 -1.21 0.43 117.51 122.04 3k3g h ILE 250 Ca 0.10 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3k3g h ILE 250 Cb 0.28 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3k3g h ILE 250 CO -0.23 0.13 0.20 0.00 0.00 0.00 0.00 178.15 178.25 3k3g h ALA 251 N 0.96 0.41 0.00 1.87 0.00 -1.08 -3.22 119.26 118.20 3k3g h ALA 251 Ca 0.07 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 3k3g h ALA 251 Cb 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3k3g h ALA 251 CO -0.01 -0.10 -0.99 0.52 0.00 0.00 0.00 179.25 178.67 3k3g h MET 252 N 0.43 0.00 -3.27 0.00 2.86 -0.92 -2.42 114.93 111.60 3k3g h MET 252 Ca 0.12 0.00 -0.70 0.00 -2.06 0.00 0.00 59.70 57.06 3k3g h MET 252 Cb -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 3k3g h MET 252 CO -0.02 0.64 3.24 0.41 1.06 0.00 0.00 176.91 182.23 3k3g n GLY 253 N 1.34 4.51 0.08 8.32 0.00 0.15 -4.34 105.19 115.25 3k3g n GLY 253 Ca -0.03 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3k3g n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k3g n GLY 254 N 3.34 0.52 0.07 -0.02 0.00 -1.13 -4.71 105.19 103.26 3k3g n GLY 254 Ca 0.65 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.57 3k3g n GLY 254 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3k3g h ILE 255 N 0.00 0.78 0.00 -0.61 2.04 -1.73 -3.34 117.51 114.64 3k3g h ILE 255 Ca 0.00 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.19 3k3g h ILE 255 Cb 0.00 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3k3g h ILE 255 CO 0.00 0.26 -1.13 0.49 0.00 0.00 0.00 178.15 177.78 3k3g n PHE 256 N -4.63 0.02 -4.28 1.37 3.72 -0.91 -4.57 117.46 108.17 3k3g n PHE 256 Ca -0.10 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.11 3k3g n PHE 256 Cb 0.33 -0.12 -0.13 0.00 -0.94 0.00 0.00 39.48 38.62 3k3g n PHE 256 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3k3g s PHE 257 N -3.09 1.20 0.02 1.38 0.08 -1.26 -0.56 117.98 115.75 3k3g s PHE 257 Ca 0.05 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 3k3g s PHE 257 Cb 0.16 -0.70 -0.06 0.00 -0.57 0.00 0.00 43.02 41.85 3k3g s PHE 257 CO 0.86 0.04 1.41 0.71 -0.10 0.00 0.00 175.22 178.15 3k3g s TYR 258 N -1.00 2.89 -0.16 0.36 2.02 -0.61 -2.84 117.35 118.01 3k3g s TYR 258 Ca 0.00 0.81 -0.29 0.00 -0.37 0.00 0.00 57.07 57.22 3k3g s TYR 258 Cb -0.09 -3.68 -0.05 0.00 -0.40 0.00 0.00 41.96 37.75 3k3g s TYR 258 CO 0.02 -2.51 1.80 -1.17 -1.57 0.00 0.00 175.55 172.12 3k3g s LEU 259 N 2.21 3.95 0.00 -1.29 2.96 -1.26 -4.69 118.68 120.56 3k3g s LEU 259 Ca 0.64 1.93 -0.03 0.00 -0.22 0.00 0.00 54.13 56.45 3k3g s LEU 259 Cb -0.33 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 42.85 3k3g s LEU 259 CO 0.27 -1.32 0.42 -0.46 -1.32 0.00 0.00 176.35 173.94 3k3g n ASN 260 N 8.77 -1.17 -0.31 3.68 0.23 -1.26 -5.03 115.26 120.17 3k3g n ASN 260 Ca 0.21 -2.39 -0.03 0.00 -0.53 0.00 0.00 54.58 51.84 3k3g n ASN 260 Cb 0.44 2.12 0.09 0.00 -2.08 0.00 0.00 39.78 40.35 3k3g n ASN 260 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3k3g h ILE 261 N 1.76 1.18 -0.04 1.53 6.09 -1.99 0.10 117.51 126.15 3k3g h ILE 261 Ca -0.22 -0.38 -0.01 0.00 -1.37 0.00 0.00 64.86 62.88 3k3g h ILE 261 Cb 0.91 -0.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.17 3k3g h ILE 261 CO 0.29 0.20 -0.02 0.03 -3.07 0.00 0.00 178.15 175.58 3k3g h ARG 262 N 1.10 0.09 0.00 2.19 3.08 -1.95 -1.87 114.38 117.02 3k3g h ARG 262 Ca 0.32 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.29 3k3g h ARG 262 Cb -0.07 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3k3g h ARG 262 CO -0.09 0.46 -0.23 1.79 -1.07 0.00 0.00 179.97 180.83 3k3g h THR 263 N -0.29 0.94 -0.17 2.04 1.35 -1.81 -0.70 112.91 114.28 3k3g h THR 263 Ca 0.01 -0.86 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 3k3g h THR 263 Cb 0.43 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 3k3g h THR 263 CO 0.01 0.23 0.06 0.15 -0.25 0.00 0.00 175.52 175.72 3k3g h PHE 264 N 0.00 0.26 -0.74 4.73 3.57 -0.66 0.70 116.94 124.79 3k3g h PHE 264 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 3k3g h PHE 264 Cb 0.48 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 3k3g h PHE 264 CO 0.00 0.33 0.45 -0.07 -2.23 0.00 0.00 178.31 176.79 3k3g h LEU 265 N 0.11 0.89 -0.20 0.59 4.07 -0.82 -0.57 115.31 119.37 3k3g h LEU 265 Ca 0.05 -0.06 0.04 0.00 0.08 0.00 0.00 57.88 58.00 3k3g h LEU 265 Cb 0.18 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.66 3k3g h LEU 265 CO -0.00 0.68 -0.07 0.22 -1.08 0.00 0.00 178.44 178.19 3k3g h TYR 266 N 1.01 -0.15 -0.88 1.13 -0.00 -1.08 -1.51 116.97 115.49 3k3g h TYR 266 Ca 0.27 0.02 0.09 0.00 -0.00 0.00 0.00 58.73 59.10 3k3g h TYR 266 Cb -0.05 0.10 -0.07 0.00 -0.00 0.00 0.00 36.73 36.71 3k3g h TYR 266 CO -0.01 -0.11 0.54 0.00 -0.00 0.00 0.00 178.16 178.58 3k3g h ALA 267 N 1.17 1.25 -0.81 1.82 0.00 -0.41 -2.20 119.26 120.09 3k3g h ALA 267 Ca 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3k3g h ALA 267 Cb 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3k3g h ALA 267 CO -0.22 0.21 0.32 1.25 0.00 0.00 0.00 179.25 180.82 3k3g h LEU 268 N 0.92 1.11 -0.24 0.00 5.85 -0.81 -1.54 115.31 120.60 3k3g h LEU 268 Ca 0.41 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 59.02 3k3g h LEU 268 Cb 0.30 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 3k3g h LEU 268 CO -0.22 0.98 -0.22 1.23 -0.34 0.00 0.00 178.44 179.87 3k3g h GLY 269 N 1.17 -0.11 0.86 3.75 0.00 -0.68 -1.79 103.07 106.28 3k3g h GLY 269 Ca 0.27 0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.90 3k3g h GLY 269 CO -0.02 -0.19 0.35 0.00 0.00 0.00 0.00 176.54 176.68 3k3g h MET 271 N 0.70 0.26 -0.18 0.00 2.07 -1.15 0.24 114.93 116.87 3k3g h MET 271 Ca 0.24 -0.05 -0.00 0.00 -2.07 0.00 0.00 59.70 57.81 3k3g h MET 271 Cb 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 3k3g h MET 271 CO -0.10 0.36 0.10 0.28 1.07 0.00 0.00 176.91 178.62 3k3g h VAL 272 N 0.12 1.09 0.00 -2.22 2.07 -1.26 -2.79 116.25 113.26 3k3g h VAL 272 Ca 0.06 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 3k3g h VAL 272 Cb 0.20 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3k3g h VAL 272 CO -0.00 0.09 -0.34 -0.07 0.02 0.00 0.00 177.57 177.27 3k3g h LEU 273 N 0.20 0.00 -0.87 2.57 3.38 -1.24 -2.03 115.31 117.32 3k3g h LEU 273 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3k3g h LEU 273 Cb 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3k3g h LEU 273 CO -0.01 0.34 0.55 1.23 0.09 0.00 0.00 178.44 180.64 3k3g h GLY 274 N 1.68 1.25 0.82 0.83 0.00 -0.28 0.18 103.07 107.54 3k3g h GLY 274 Ca -0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 3k3g h GLY 274 CO 0.04 0.48 -0.30 0.00 0.00 0.00 0.00 176.54 176.77 3k3g h ALA 275 N 1.30 0.25 -0.71 3.60 0.00 -1.13 -2.11 119.26 120.47 3k3g h ALA 275 Ca 0.32 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3k3g h ALA 275 Cb -0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3k3g h ALA 275 CO -0.06 0.27 0.46 0.82 0.00 0.00 0.00 179.25 180.74 3k3g h ILE 276 N 0.10 1.19 0.00 0.00 2.04 -1.31 -2.44 117.51 117.09 3k3g h ILE 276 Ca 0.01 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3k3g h ILE 276 Cb 0.89 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3k3g h ILE 276 CO 0.07 0.18 -0.15 0.00 0.00 0.00 0.00 178.15 178.25 3k3g h ALA 277 N 1.25 1.35 -0.52 1.87 0.00 -0.61 -2.33 119.26 120.28 3k3g h ALA 277 Ca 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3k3g h ALA 277 Cb -0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3k3g h ALA 277 CO -0.05 0.19 0.26 1.15 0.00 0.00 0.00 179.25 180.79 3k3g h THR 278 N 0.00 1.19 -0.21 0.00 2.02 -0.87 -0.10 112.91 114.94 3k3g h THR 278 Ca -0.00 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 3k3g h THR 278 Cb 0.37 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3k3g h THR 278 CO 0.02 0.21 0.02 1.23 0.37 0.00 0.00 175.52 177.37 3k3g h GLY 279 N 0.69 0.38 0.28 2.16 0.00 -1.41 -2.58 103.07 102.59 3k3g h GLY 279 Ca 0.18 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.31 3k3g h GLY 279 CO -0.02 0.24 -0.10 0.00 0.00 0.00 0.00 176.54 176.66 3k3g h ALA 280 N 0.82 0.21 0.00 3.60 0.00 -1.18 -2.01 119.26 120.69 3k3g h ALA 280 Ca 0.06 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3k3g h ALA 280 Cb 0.35 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3k3g h ALA 280 CO 0.01 -0.47 -0.65 0.74 0.00 0.00 0.00 179.25 178.87 3k3g h PHE 281 N -0.02 0.00 -0.35 0.00 0.04 -1.07 -1.12 116.94 114.42 3k3g h PHE 281 Ca 0.17 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 3k3g h PHE 281 Cb 0.28 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 3k3g h PHE 281 CO -0.33 0.65 0.13 1.03 -0.60 0.00 0.00 178.31 179.19 3k3g h SER 282 N 0.00 0.49 -0.23 2.17 0.87 -1.29 -2.23 113.55 113.33 3k3g h SER 282 Ca -0.01 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 3k3g h SER 282 Cb 1.47 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 3k3g h SER 282 CO 0.08 0.54 0.12 0.58 -0.53 0.00 0.00 176.83 177.63 3k3g h VAL 283 N 0.42 1.11 -0.98 2.23 2.07 -1.30 -2.64 116.25 117.17 3k3g h VAL 283 Ca 0.12 -0.31 0.15 0.00 0.82 0.00 0.00 66.70 67.48 3k3g h VAL 283 Cb 0.20 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 3k3g h VAL 283 CO -0.01 0.11 0.59 0.25 0.02 0.00 0.00 177.57 178.54 3k3g h LEU 284 N 0.25 0.81 -1.77 2.57 5.85 -1.02 -1.85 115.31 120.16 3k3g h LEU 284 Ca 0.08 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3k3g h LEU 284 Cb 0.07 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3k3g h LEU 284 CO -0.01 0.36 0.00 0.18 -0.34 0.00 0.00 178.44 178.63 3k3g n LEU 285 N -4.72 2.66 0.00 2.25 4.77 -0.86 -4.45 117.00 116.66 3k3g n LEU 285 Ca 0.20 -1.10 -0.06 0.00 -0.03 0.00 0.00 56.01 55.02 3k3g n LEU 285 Cb 0.45 -0.16 0.12 0.00 -2.33 0.00 0.00 43.42 41.51 3k3g n LEU 285 CO 0.24 0.55 0.61 0.77 -1.33 0.00 0.00 177.39 178.23 3k3g h SER 286 N 3.58 0.55 -0.25 -1.43 4.64 -0.95 -1.48 113.55 118.22 3k3g h SER 286 Ca 0.00 -0.24 0.07 0.00 -0.47 0.00 0.00 61.79 61.15 3k3g h SER 286 Cb 0.78 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3k3g h SER 286 CO 0.00 0.89 0.41 -0.65 -0.87 0.00 0.00 176.83 176.62 3k3g h PRO 287 N 0.44 0.00 -0.10 4.77 0.11 -1.68 0.37 132.00 135.91 3k3g h PRO 287 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3k3g h PRO 287 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3k3g h PRO 287 CO 0.08 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 178.31 3k3g n ILE 288 N -3.39 0.33 -1.43 4.15 -5.35 -0.96 -4.15 119.36 108.56 3k3g n ILE 288 Ca 0.04 -0.66 -0.08 0.00 -0.27 0.00 0.00 62.75 61.78 3k3g n ILE 288 Cb 0.54 0.96 -0.03 0.00 -1.74 0.00 0.00 39.64 39.37 3k3g n ILE 288 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k3g n GLY 289 N 0.43 0.75 3.80 3.28 0.00 0.01 -4.51 105.19 108.95 3k3g n GLY 289 Ca 0.06 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 3k3g n GLY 289 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3k3g s MET 290 N -3.04 3.04 0.38 1.61 1.00 -0.99 -3.53 119.30 117.77 3k3g s MET 290 Ca 0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 55.69 54.88 3k3g s MET 290 Cb 0.00 -2.83 -0.10 0.00 0.00 0.00 0.00 34.83 31.91 3k3g s MET 290 CO 0.00 0.61 0.99 -1.25 0.00 0.00 0.00 175.02 175.37 3k3g s PRO 291 N -2.13 4.33 0.29 2.03 0.04 -1.26 -4.58 135.00 133.72 3k3g s PRO 291 Ca 0.27 1.38 0.25 0.00 0.04 0.00 0.00 61.00 62.94 3k3g s PRO 291 Cb -0.12 -2.58 0.73 0.00 0.04 0.00 0.00 34.50 32.57 3k3g s PRO 291 CO 0.19 0.03 1.74 0.00 0.04 0.00 0.00 177.00 179.00 3k3g h ALA 292 N 2.65 1.00 -0.75 8.56 0.00 -1.92 -3.49 119.26 125.30 3k3g h ALA 292 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3k3g h ALA 292 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3k3g h ALA 292 CO 0.63 0.00 0.00 1.28 0.00 0.00 0.00 179.25 181.16 3k3g n LEU 293 N -2.53 0.00 -1.67 0.00 4.77 -1.26 -1.71 117.00 114.60 3k3g n LEU 293 Ca 0.05 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.09 3k3g n LEU 293 Cb 0.43 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.87 3k3g n LEU 293 CO 0.30 0.00 0.80 0.35 -1.33 0.00 0.00 177.39 177.51 3k3g n THR 294 N 0.00 2.23 -0.32 -5.08 -2.24 -1.26 -4.43 114.28 103.19 3k3g n THR 294 Ca 0.00 -1.19 0.08 0.00 -2.27 0.00 0.00 64.05 60.67 3k3g n THR 294 Cb 0.00 -0.20 0.24 0.00 -2.10 0.00 0.00 70.33 68.27 3k3g n THR 294 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3k3g h TRP 295 N 3.60 0.90 -0.27 4.78 2.91 -1.72 -1.32 115.95 124.83 3k3g h TRP 295 Ca 0.00 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.11 3k3g h TRP 295 Cb 1.69 -0.27 -0.05 0.00 -0.51 0.00 0.00 29.16 30.02 3k3g h TRP 295 CO 0.90 0.25 -0.07 -1.35 -1.03 0.00 0.00 178.44 177.14 3k3g h PRO 296 N 0.73 -0.01 -0.59 2.65 0.11 -1.79 -0.67 132.00 132.44 3k3g h PRO 296 Ca 0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.60 3k3g h PRO 296 Cb 0.65 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 3k3g h PRO 296 CO -0.34 -0.01 0.36 0.35 -0.21 0.00 0.00 178.00 178.16 3k3g h PHE 297 N -0.01 0.76 0.11 0.65 3.57 -1.69 -2.40 116.94 117.94 3k3g h PHE 297 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3k3g h PHE 297 Cb 0.21 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3k3g h PHE 297 CO -0.27 0.51 -0.10 0.82 -2.23 0.00 0.00 178.31 177.04 3k3g h ILE 298 N 0.79 0.77 -0.05 1.41 2.04 -1.02 -0.17 117.51 121.29 3k3g h ILE 298 Ca 0.21 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 3k3g h ILE 298 Cb -0.04 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3k3g h ILE 298 CO -0.04 0.00 0.01 0.58 0.00 0.00 0.00 178.15 178.70 3k3g h VAL 299 N -0.23 1.18 -0.40 1.67 2.07 -1.08 -0.06 116.25 119.40 3k3g h VAL 299 Ca 0.00 -0.55 -0.14 0.00 0.82 0.00 0.00 66.70 66.83 3k3g h VAL 299 Cb 0.22 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3k3g h VAL 299 CO -0.02 0.15 -0.31 0.58 0.02 0.00 0.00 177.57 177.99 3k3g h VAL 300 N -0.14 1.27 -0.26 2.57 2.07 -1.40 -1.30 116.25 119.07 3k3g h VAL 300 Ca 0.01 -1.47 -0.19 0.00 0.82 0.00 0.00 66.70 65.87 3k3g h VAL 300 Cb 0.23 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3k3g h VAL 300 CO -0.00 0.50 -0.60 0.74 0.02 0.00 0.00 177.57 178.22 3k3g h THR 301 N 0.75 1.28 -0.48 2.57 2.02 -1.02 -2.12 112.91 115.91 3k3g h THR 301 Ca 0.08 -1.79 0.07 0.00 0.77 0.00 0.00 66.41 65.53 3k3g h THR 301 Cb 0.88 1.71 -0.06 0.00 -1.74 0.00 0.00 68.15 68.95 3k3g h THR 301 CO 0.08 0.58 0.17 -0.50 0.37 0.00 0.00 175.52 176.22 3k3g h TRP 302 N 0.64 0.30 0.02 3.16 6.55 -0.86 0.18 115.95 125.94 3k3g h TRP 302 Ca -0.00 0.02 0.03 0.00 0.95 0.00 0.00 58.89 59.89 3k3g h TRP 302 Cb 1.22 -0.06 -0.04 0.00 -0.86 0.00 0.00 29.16 29.42 3k3g h TRP 302 CO 0.07 0.10 -0.21 -0.07 -1.05 0.00 0.00 178.44 177.28 3k3g h LEU 303 N 0.34 -0.60 -1.19 -4.49 3.38 -1.03 0.69 115.31 112.40 3k3g h LEU 303 Ca 0.23 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 3k3g h LEU 303 Cb 0.24 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3k3g h LEU 303 CO -0.24 -0.28 0.22 -0.26 0.09 0.00 0.00 178.44 177.97 3k3g h PHE 304 N -0.34 0.78 -0.15 1.13 0.04 -1.06 -1.57 116.94 115.76 3k3g h PHE 304 Ca 0.05 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3k3g h PHE 304 Cb 0.41 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3k3g h PHE 304 CO -0.24 0.61 -0.01 -0.07 -0.60 0.00 0.00 178.31 177.99 3k3g h LEU 305 N 0.77 0.27 -1.25 1.54 3.38 -0.40 -2.64 115.31 116.97 3k3g h LEU 305 Ca 0.18 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3k3g h LEU 305 Cb 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3k3g h LEU 305 CO -0.02 0.53 -0.13 -0.26 0.09 0.00 0.00 178.44 178.65 3k3g h PHE 306 N -0.00 0.37 0.00 1.13 0.04 -0.67 -2.97 116.94 114.83 3k3g h PHE 306 Ca 0.04 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3k3g h PHE 306 Cb 0.40 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 3k3g h PHE 306 CO 0.04 0.48 -0.17 0.00 -0.60 0.00 0.00 178.31 178.06 3k3g h ALA 307 N 1.54 0.93 -0.93 2.45 0.00 -1.23 -3.37 119.26 118.64 3k3g h ALA 307 Ca 0.06 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3k3g h ALA 307 Cb 0.44 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 3k3g h ALA 307 CO 0.03 0.21 0.57 0.78 0.00 0.00 0.00 179.25 180.83 3k3g h GLY 308 N 3.09 1.48 1.91 0.00 0.00 -1.30 -1.85 103.07 106.41 3k3g h GLY 308 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3k3g h GLY 308 CO 0.02 0.16 0.00 -1.14 0.00 0.00 0.00 176.54 175.59 3k3g n SER 309 N -4.66 0.00 0.00 0.19 3.41 -1.26 -2.07 113.62 109.23 3k3g n SER 309 Ca 0.16 0.41 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 3k3g n SER 309 Cb 0.31 -0.46 0.01 0.00 -0.26 0.00 0.00 64.21 63.81 3k3g n SER 309 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3k3g n MET 310 N -1.46 0.07 -3.82 4.33 2.81 -0.70 -4.85 117.12 113.51 3k3g n MET 310 Ca 0.05 -0.01 -0.36 0.00 -1.81 0.00 0.00 57.70 55.57 3k3g n MET 310 Cb 0.18 -1.52 -0.13 0.00 -0.71 0.00 0.00 33.22 31.04 3k3g n MET 310 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3k3g s PHE 311 N -3.05 3.31 0.37 2.03 0.08 -0.88 -4.96 117.98 114.87 3k3g s PHE 311 Ca 0.08 -1.77 0.08 0.00 0.12 0.00 0.00 56.93 55.43 3k3g s PHE 311 Cb 0.16 -2.35 0.72 0.00 -0.57 0.00 0.00 43.02 40.98 3k3g s PHE 311 CO 0.81 -0.80 1.89 0.00 -0.10 0.00 0.00 175.22 177.02 3k3g h ARG 312 N 8.10 0.33 0.00 0.44 3.08 -1.88 -2.10 114.38 122.34 3k3g h ARG 312 Ca -0.21 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3k3g h ARG 312 Cb 1.07 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3k3g h ARG 312 CO 0.59 0.44 0.00 0.09 -1.07 0.00 0.00 179.97 180.02 3k3g n ASN 313 N -4.27 0.00 -4.06 7.04 3.02 -1.26 -4.58 115.26 111.15 3k3g n ASN 313 Ca -0.00 -0.16 -0.32 0.00 -0.03 0.00 0.00 54.58 54.07 3k3g n ASN 313 Cb 0.27 -0.26 -0.15 0.00 -0.61 0.00 0.00 39.78 39.03 3k3g n ASN 313 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3k3g s ILE 314 N -2.53 2.38 -0.67 2.41 1.01 -0.79 -4.73 121.20 118.29 3k3g s ILE 314 Ca 0.27 -2.00 -0.27 0.00 0.00 0.00 0.00 60.65 58.65 3k3g s ILE 314 Cb 0.18 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 40.09 3k3g s ILE 314 CO 0.41 -0.37 1.21 0.00 0.00 0.00 0.00 174.94 176.19 3k3g s ALA 315 N 1.02 2.88 0.34 9.38 0.00 -1.26 -4.78 121.76 129.34 3k3g s ALA 315 Ca 0.02 -1.19 -0.23 0.00 0.00 0.00 0.00 51.96 50.57 3k3g s ALA 315 Cb -0.20 -4.13 -0.10 0.00 0.00 0.00 0.00 23.12 18.70 3k3g s ALA 315 CO -0.06 -2.98 0.90 -1.14 0.00 0.00 0.00 175.76 172.48 3k3g s GLN 316 N 5.26 4.40 0.01 0.00 0.74 -1.26 -1.58 119.66 127.23 3k3g s GLN 316 Ca 0.37 1.16 -0.22 0.00 0.05 0.00 0.00 55.36 56.73 3k3g s GLN 316 Cb -0.09 -2.62 -0.05 0.00 1.10 0.00 0.00 33.01 31.35 3k3g s GLN 316 CO 0.19 0.20 0.63 0.08 -0.55 0.00 0.00 175.29 175.85 3k3g s VAL 317 N -1.78 4.87 0.15 1.34 1.01 0.27 -4.78 120.40 121.48 3k3g s VAL 317 Ca 0.53 1.33 -0.31 0.00 0.00 0.00 0.00 61.98 63.53 3k3g s VAL 317 Cb -0.15 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 3k3g s VAL 317 CO 0.20 0.40 1.81 -2.84 0.00 0.00 0.00 175.10 174.67 3k3g s PRO 318 N -0.15 4.13 0.26 2.72 0.02 -1.26 -4.84 135.00 135.88 3k3g s PRO 318 Ca 0.33 2.61 -0.03 0.00 0.02 0.00 0.00 61.00 63.92 3k3g s PRO 318 Cb -0.19 -3.47 0.40 0.00 0.02 0.00 0.00 34.50 31.27 3k3g s PRO 318 CO 0.18 -0.82 1.85 1.15 -0.33 0.00 0.00 177.00 179.03 3k3g h THR 319 N 4.48 1.02 0.00 0.99 2.02 -1.95 -0.64 112.91 118.83 3k3g h THR 319 Ca -0.45 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.38 3k3g h THR 319 Cb 1.21 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3k3g h THR 319 CO 0.95 0.19 0.00 1.21 0.37 0.00 0.00 175.52 178.24 3k3g n GLU 320 N -4.60 0.18 -0.05 6.66 2.13 -1.26 -2.30 120.64 121.41 3k3g n GLU 320 Ca 0.15 0.46 -0.06 0.00 0.66 0.00 0.00 57.16 58.37 3k3g n GLU 320 Cb 0.22 -1.89 -0.14 0.00 0.27 0.00 0.00 31.44 29.90 3k3g n GLU 320 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3k3g n LYS 321 N -2.24 0.66 -1.48 5.31 5.02 -0.34 -5.00 118.16 120.10 3k3g n LYS 321 Ca 0.01 0.07 -0.46 0.00 -2.02 0.00 0.00 58.31 55.91 3k3g n LYS 321 Cb 0.20 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 33.51 3k3g n LYS 321 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k3g n ALA 322 N -2.60 0.95 -2.50 7.82 0.00 -0.63 -4.95 120.51 118.61 3k3g n ALA 322 Ca -0.23 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3k3g n ALA 322 Cb 1.02 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3k3g n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k3g n GLY 323 N 6.41 3.80 3.70 0.00 0.00 -1.26 -5.05 105.19 112.79 3k3g n GLY 323 Ca 0.43 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 3k3g n GLY 323 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k3g s THR 324 N 2.27 2.10 0.40 2.61 -4.23 -1.26 -4.63 115.64 112.90 3k3g s THR 324 Ca 0.00 0.05 0.11 0.00 -1.18 0.00 0.00 61.69 60.67 3k3g s THR 324 Cb 0.00 -2.49 0.32 0.00 1.34 0.00 0.00 72.50 71.67 3k3g s THR 324 CO 0.00 -0.03 1.94 -0.65 -0.54 0.00 0.00 174.62 175.34 3k3g h PRO 325 N -0.77 0.54 -0.08 3.99 0.11 -1.87 0.18 132.00 134.10 3k3g h PRO 325 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3k3g h PRO 325 Cb 1.30 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3k3g h PRO 325 CO 0.47 0.36 0.01 0.93 -0.21 0.00 0.00 178.00 179.56 3k3g h GLU 326 N 0.56 0.14 -0.68 1.05 3.07 -1.91 -2.22 114.58 114.59 3k3g h GLU 326 Ca 0.34 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.15 3k3g h GLU 326 Cb 0.58 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.44 3k3g h GLU 326 CO -0.12 0.36 0.37 -0.44 -1.40 0.00 0.00 179.01 177.79 3k3g h ASP 327 N -0.11 0.85 -0.35 1.42 3.32 -1.83 -2.36 116.42 117.36 3k3g h ASP 327 Ca 0.02 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.03 3k3g h ASP 327 Cb 0.29 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 3k3g h ASP 327 CO 0.00 0.70 0.07 0.78 -1.72 0.00 0.00 179.24 179.07 3k3g h ASN 328 N 0.93 0.01 -0.71 6.45 2.35 -0.91 -1.51 115.58 122.19 3k3g h ASN 328 Ca 0.24 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 56.03 3k3g h ASN 328 Cb 0.04 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3k3g h ASN 328 CO -0.04 0.04 0.38 -0.07 -1.65 0.00 0.00 177.43 176.09 3k3g h LEU 329 N 0.19 0.91 -1.05 1.61 3.38 -1.29 -2.49 115.31 116.58 3k3g h LEU 329 Ca 0.17 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3k3g h LEU 329 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3k3g h LEU 329 CO -0.22 0.75 -0.38 0.03 0.09 0.00 0.00 178.44 178.71 3k3g h ARG 330 N 1.02 0.00 0.00 1.13 3.08 -0.85 -2.16 114.38 116.60 3k3g h ARG 330 Ca 0.26 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.22 3k3g h ARG 330 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3k3g h ARG 330 CO -0.04 0.38 -0.99 0.66 -1.07 0.00 0.00 179.97 178.92 3k3g h SER 331 N 0.00 0.00 -0.01 7.04 4.64 -1.15 -3.21 113.55 120.86 3k3g h SER 331 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3k3g h SER 331 Cb 0.84 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3k3g h SER 331 CO 0.05 0.30 -0.01 0.25 -0.87 0.00 0.00 176.83 176.55 3k3g h LEU 332 N 0.00 0.03 -2.42 5.97 5.85 -1.25 -3.11 115.31 120.38 3k3g h LEU 332 Ca -0.06 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3k3g h LEU 332 Cb 1.29 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3k3g h LEU 332 CO 0.03 0.49 0.00 0.00 -0.34 0.00 0.00 178.44 178.61 3k3g h ALA 333 N 0.55 1.00 -0.01 1.25 0.00 -1.52 -3.52 119.26 117.01 3k3g h ALA 333 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k3g h ALA 333 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3k3g h ALA 333 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.36