#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lll s SER 18 N 0.00 6.36 0.49 1.67 0.15 -1.26 -4.99 113.70 116.12 3lll s SER 18 Ca 0.00 0.74 0.18 0.00 0.70 0.00 0.00 55.95 57.56 3lll s SER 18 Cb 0.00 -2.16 1.20 0.00 -1.71 0.00 0.00 66.02 63.35 3lll s SER 18 CO 0.00 -0.35 2.07 0.15 1.20 0.00 0.00 173.24 176.31 3lll h PHE 19 N 0.97 0.00 0.00 3.44 3.57 -2.02 -2.23 116.94 120.67 3lll h PHE 19 Ca -0.48 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 3lll h PHE 19 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3lll h PHE 19 CO 0.56 0.11 0.00 0.91 -2.23 0.00 0.00 178.31 177.66 3lll n TRP 20 N -4.26 0.00 -2.74 0.41 7.02 -1.26 -4.56 117.44 112.05 3lll n TRP 20 Ca -0.03 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.04 3lll n TRP 20 Cb 0.19 -0.46 -0.04 0.00 -2.42 0.00 0.00 31.31 28.57 3lll n TRP 20 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3lll s GLU 21 N -2.93 4.67 0.20 -0.99 2.02 -0.84 -4.97 118.70 115.85 3lll s GLU 21 Ca 0.14 1.43 -0.31 0.00 0.02 0.00 0.00 54.97 56.25 3lll s GLU 21 Cb 0.17 -3.39 -0.16 0.00 0.10 0.00 0.00 34.13 30.85 3lll s GLU 21 CO 0.46 0.17 1.07 1.33 0.02 0.00 0.00 175.26 178.30 3lll n VAL 22 N 2.98 1.22 0.00 2.63 0.24 -1.26 -1.55 118.33 122.59 3lll n VAL 22 Ca 0.03 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3lll n VAL 22 Cb 0.50 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 3lll n VAL 22 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lll n GLY 23 N 1.81 2.85 1.73 7.63 0.00 -1.26 -4.87 105.19 113.08 3lll n GLY 23 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 3lll n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lll n ASN 24 N 0.42 4.02 -0.12 1.61 4.13 -0.59 -3.18 115.26 121.56 3lll n ASN 24 Ca 0.00 -2.10 0.04 0.00 1.68 0.00 0.00 54.58 54.20 3lll n ASN 24 Cb 0.00 -0.90 0.07 0.00 -1.54 0.00 0.00 39.78 37.41 3lll n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3lll n TYR 25 N 1.84 0.08 -0.04 3.10 0.18 -1.26 -4.44 117.16 116.61 3lll n TYR 25 Ca 0.07 -0.69 -0.15 0.00 1.88 0.00 0.00 57.90 59.01 3lll n TYR 25 Cb 0.45 -0.09 -0.08 0.00 -0.38 0.00 0.00 39.34 39.23 3lll n TYR 25 CO 0.00 0.00 0.00 1.57 -2.08 0.00 0.00 176.86 176.35 3lll h LYS 26 N 0.24 0.56 -0.95 -3.48 2.10 -1.97 -2.93 116.57 110.14 3lll h LYS 26 Ca 0.00 -0.41 0.12 0.00 -2.00 0.00 0.00 60.65 58.36 3lll h LYS 26 Cb 0.73 0.07 -0.08 0.00 -0.90 0.00 0.00 32.23 32.05 3lll h LYS 26 CO 0.01 1.03 0.58 -0.09 -2.00 0.00 0.00 179.45 178.98 3lll h ARG 27 N 0.19 0.88 0.00 0.07 9.65 -1.90 0.96 114.38 124.23 3lll h ARG 27 Ca -0.02 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3lll h ARG 27 Cb 1.07 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 3lll h ARG 27 CO 0.10 0.58 0.00 0.00 2.80 0.00 0.00 179.97 183.45 3lll h THR 28 N 0.91 0.00 0.13 0.20 1.03 -1.90 -2.95 112.91 110.33 3lll h THR 28 Ca 0.48 -0.77 -0.36 0.00 -0.01 0.00 0.00 66.41 65.75 3lll h THR 28 Cb 0.49 1.75 -0.01 0.00 -1.07 0.00 0.00 68.15 69.32 3lll h THR 28 CO -0.28 0.00 -1.90 0.58 -0.01 0.00 0.00 175.52 173.91 3lll h VAL 29 N 0.00 0.74 -0.02 0.00 2.07 -0.65 -3.33 116.25 115.06 3lll h VAL 29 Ca 0.00 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.10 3lll h VAL 29 Cb 0.83 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 3lll h VAL 29 CO 0.00 0.86 0.02 0.50 0.02 0.00 0.00 177.57 178.97 3lll h LYS 30 N 0.08 0.00 -0.70 1.57 1.63 0.81 -0.67 116.57 119.29 3lll h LYS 30 Ca -0.39 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.57 3lll h LYS 30 Cb 2.05 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.64 3lll h LYS 30 CO 0.11 0.00 0.48 -0.09 -3.45 0.00 0.00 179.45 176.50 3lll h ARG 31 N 0.00 0.23 0.75 1.90 2.43 -1.62 -2.49 114.38 115.58 3lll h ARG 31 Ca 0.01 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3lll h ARG 31 Cb 0.05 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3lll h ARG 31 CO -0.00 0.15 -0.36 0.82 -1.51 0.00 0.00 179.97 179.07 3lll h ILE 32 N 0.24 0.07 -0.65 1.20 2.04 -1.32 -0.93 117.51 118.15 3lll h ILE 32 Ca 0.34 -0.23 0.11 0.00 1.00 0.00 0.00 64.86 66.09 3lll h ILE 32 Cb 1.00 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3lll h ILE 32 CO -0.07 0.01 0.44 0.44 0.00 0.00 0.00 178.15 178.96 3lll h ASP 33 N -1.22 0.38 -0.21 1.72 3.32 -1.66 -0.90 116.42 117.84 3lll h ASP 33 Ca -0.10 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3lll h ASP 33 Cb 0.79 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3lll h ASP 33 CO 0.17 0.22 0.06 0.44 -1.72 0.00 0.00 179.24 178.41 3lll h ASP 34 N 0.41 0.31 -0.94 6.45 5.19 -1.32 -2.44 116.42 124.10 3lll h ASP 34 Ca 0.31 -0.21 0.21 0.00 -0.62 0.00 0.00 57.03 56.72 3lll h ASP 34 Cb 0.64 -0.08 -0.12 0.00 0.18 0.00 0.00 39.33 39.95 3lll h ASP 34 CO -0.09 0.44 0.50 1.23 -3.12 0.00 0.00 179.24 178.20 3lll h GLY 35 N 0.17 1.68 0.73 2.75 0.00 0.27 0.18 103.07 108.85 3lll h GLY 35 Ca 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3lll h GLY 35 CO -0.00 -0.20 -0.35 0.84 0.00 0.00 0.00 176.54 176.83 3lll h HIS 36 N 0.54 -0.90 -0.72 5.60 -0.00 -1.30 -2.96 115.15 115.40 3lll h HIS 36 Ca 0.58 -0.02 0.16 0.00 -0.00 0.00 0.00 60.37 61.08 3lll h HIS 36 Cb 1.04 0.30 -0.13 0.00 -0.00 0.00 0.00 27.41 28.61 3lll h HIS 36 CO -0.07 -0.56 -0.08 -0.09 -0.00 0.00 0.00 177.93 177.13 3lll h ARG 37 N -1.25 0.05 -0.60 5.26 2.43 -0.90 -1.12 114.38 118.24 3lll h ARG 37 Ca -0.10 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.19 3lll h ARG 37 Cb 0.75 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.19 3lll h ARG 37 CO 0.16 0.03 0.06 -0.07 -1.51 0.00 0.00 179.97 178.65 3lll h LEU 38 N 0.05 -0.14 -0.32 3.80 3.38 -0.67 0.27 115.31 121.68 3lll h LEU 38 Ca 0.37 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.54 3lll h LEU 38 Cb 0.62 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 3lll h LEU 38 CO -0.69 -0.06 -0.11 0.00 0.09 0.00 0.00 178.44 177.67 3lll h GLY 40 N -0.04 1.11 0.72 0.00 0.00 -0.78 -0.52 103.07 103.55 3lll h GLY 40 Ca 0.16 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3lll h GLY 40 CO -0.36 0.19 -0.06 -0.55 0.00 0.00 0.00 176.54 175.76 3lll h ASP 41 N 0.78 0.26 -0.06 0.19 5.19 0.28 -2.16 116.42 120.91 3lll h ASP 41 Ca 0.38 -0.42 -0.02 0.00 -0.62 0.00 0.00 57.03 56.35 3lll h ASP 41 Cb 0.42 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 3lll h ASP 41 CO -0.15 0.62 -0.01 0.25 -3.12 0.00 0.00 179.24 176.84 3lll h LEU 42 N -0.10 0.17 -0.06 1.55 5.85 -0.34 0.19 115.31 122.58 3lll h LEU 42 Ca 0.03 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3lll h LEU 42 Cb 0.53 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3lll h LEU 42 CO 0.02 0.22 -0.02 0.24 -0.34 0.00 0.00 178.44 178.55 3lll h MET 43 N 0.19 0.12 -0.59 1.25 2.86 -1.01 -1.81 114.93 115.94 3lll h MET 43 Ca 0.05 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3lll h MET 43 Cb 0.15 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 3lll h MET 43 CO 0.00 0.48 0.36 -0.91 1.06 0.00 0.00 176.91 177.91 3lll h ASN 44 N -0.25 0.69 -0.63 1.22 2.35 -0.89 0.58 115.58 118.64 3lll h ASN 44 Ca 0.01 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3lll h ASN 44 Cb 0.45 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 3lll h ASN 44 CO 0.01 0.53 0.41 0.00 -1.65 0.00 0.00 177.43 176.72 3lll h LEU 46 N 0.86 0.68 -0.69 0.00 3.38 -0.87 -2.93 115.31 115.74 3lll h LEU 46 Ca 0.23 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3lll h LEU 46 Cb -0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3lll h LEU 46 CO -0.05 1.36 0.35 -0.74 0.09 0.00 0.00 178.44 179.46 3lll h HIS 47 N 0.28 0.96 0.00 1.13 2.76 -0.68 -1.14 115.15 118.47 3lll h HIS 47 Ca -0.11 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 57.95 3lll h HIS 47 Cb 1.66 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 30.30 3lll h HIS 47 CO 0.08 0.70 -0.36 0.93 -1.30 0.00 0.00 177.93 177.98 3lll h GLU 48 N 0.95 0.00 0.03 5.26 5.08 -1.27 -0.82 114.58 123.80 3lll h GLU 48 Ca 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3lll h GLU 48 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3lll h GLU 48 CO -0.03 0.36 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.23 3lll h ARG 49 N 0.00 -0.04 -0.43 2.33 9.65 -1.16 -3.02 114.38 121.72 3lll h ARG 49 Ca -0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.77 3lll h ARG 49 Cb 0.77 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.35 3lll h ARG 49 CO 0.05 0.41 -0.17 0.00 2.80 0.00 0.00 179.97 183.06 3lll h ALA 50 N 0.45 0.89 -0.17 2.80 0.00 -1.18 -2.38 119.26 119.68 3lll h ALA 50 Ca -0.00 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3lll h ALA 50 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3lll h ALA 50 CO 0.01 0.63 0.15 -0.09 0.00 0.00 0.00 179.25 179.94 3lll h ARG 51 N 0.73 0.00 0.22 0.00 2.43 -1.18 0.63 114.38 117.21 3lll h ARG 51 Ca 0.11 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.95 3lll h ARG 51 Cb 0.68 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3lll h ARG 51 CO 0.05 0.00 -1.56 0.82 -1.51 0.00 0.00 179.97 177.77 3lll h ILE 52 N 0.00 1.13 -0.33 1.20 2.04 -1.34 -2.89 117.51 117.33 3lll h ILE 52 Ca 0.08 -2.60 0.08 0.00 1.00 0.00 0.00 64.86 63.43 3lll h ILE 52 Cb 0.38 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 3lll h ILE 52 CO -0.00 0.82 0.23 -0.33 0.00 0.00 0.00 178.15 178.87 3lll h GLU 53 N 0.08 0.07 0.06 2.37 4.39 -0.64 0.08 114.58 120.99 3lll h GLU 53 Ca -0.29 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 3lll h GLU 53 Cb 2.10 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.73 3lll h GLU 53 CO 0.22 0.04 -0.03 -0.22 -1.16 0.00 0.00 179.01 177.87 3lll h LYS 54 N 0.07 -0.07 -0.41 2.33 3.64 -0.99 -2.69 116.57 118.44 3lll h LYS 54 Ca 0.15 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 3lll h LYS 54 Cb 0.53 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 3lll h LYS 54 CO -0.01 0.51 0.28 0.00 -2.27 0.00 0.00 179.45 177.96 3lll h ALA 55 N 0.08 2.03 -0.15 5.00 0.00 -1.19 0.77 119.26 125.79 3lll h ALA 55 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3lll h ALA 55 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3lll h ALA 55 CO 0.01 -0.11 -0.54 -0.92 0.00 0.00 0.00 179.25 177.69 3lll h TYR 56 N 0.28 0.56 -0.07 0.00 3.20 -1.03 -2.44 116.97 117.47 3lll h TYR 56 Ca 0.18 -0.20 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 3lll h TYR 56 Cb 0.38 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.54 3lll h TYR 56 CO -0.00 0.89 -0.13 0.00 -1.64 0.00 0.00 178.16 177.28 3lll h ALA 57 N 1.07 0.11 -0.83 1.82 0.00 -0.70 -2.82 119.26 117.91 3lll h ALA 57 Ca 0.01 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 54.67 3lll h ALA 57 Cb 1.06 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3lll h ALA 57 CO 0.10 -0.00 0.54 1.96 0.00 0.00 0.00 179.25 181.84 3lll h GLN 58 N -0.26 0.78 -0.04 0.00 4.20 -0.94 -0.12 115.11 118.73 3lll h GLN 58 Ca 0.00 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 3lll h GLN 58 Cb 0.70 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3lll h GLN 58 CO 0.03 0.52 -0.51 1.96 -0.67 0.00 0.00 178.83 180.16 3lll h GLN 59 N 0.80 0.10 0.03 1.46 4.20 -1.44 -2.66 115.11 117.60 3lll h GLN 59 Ca 0.38 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 3lll h GLN 59 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3lll h GLN 59 CO -0.15 0.58 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.51 3lll h LEU 60 N 0.08 -0.03 -1.06 1.46 3.38 -0.82 -2.41 115.31 115.91 3lll h LEU 60 Ca 0.00 -0.67 0.02 0.00 0.09 0.00 0.00 57.88 57.32 3lll h LEU 60 Cb 0.93 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 3lll h LEU 60 CO 0.07 0.69 0.63 0.71 0.09 0.00 0.00 178.44 180.64 3lll h THR 61 N -0.78 1.21 0.00 0.22 1.35 -1.24 -1.21 112.91 112.46 3lll h THR 61 Ca -0.00 -0.43 -0.06 0.00 -0.55 0.00 0.00 66.41 65.37 3lll h THR 61 Cb 0.70 -0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.95 3lll h THR 61 CO 0.01 0.23 -0.27 -0.33 -0.25 0.00 0.00 175.52 174.90 3lll h GLU 62 N 1.26 0.00 0.00 4.72 4.39 -1.56 -0.80 114.58 122.59 3lll h GLU 62 Ca 0.37 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.95 3lll h GLU 62 Cb -0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3lll h GLU 62 CO -0.09 0.27 -0.53 2.35 -1.16 0.00 0.00 179.01 179.85 3lll h TRP 63 N 0.00 0.00 0.18 4.33 7.01 -0.73 -1.88 115.95 124.86 3lll h TRP 63 Ca -0.00 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 3lll h TRP 63 Cb 0.84 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.90 3lll h TRP 63 CO 0.00 0.53 -0.09 0.00 -2.79 0.00 0.00 178.44 176.09 3lll h ALA 64 N 1.47 -0.25 -0.39 2.65 0.00 -0.50 -2.68 119.26 119.56 3lll h ALA 64 Ca -0.01 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3lll h ALA 64 Cb 1.05 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3lll h ALA 64 CO 0.07 -0.27 0.38 -0.09 0.00 0.00 0.00 179.25 179.34 3lll h ARG 65 N -0.99 0.00 0.10 0.00 2.43 -1.25 0.28 114.38 114.94 3lll h ARG 65 Ca -0.03 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3lll h ARG 65 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3lll h ARG 65 CO 0.04 0.00 -0.05 -0.09 -1.51 0.00 0.00 179.97 178.37 3lll h ARG 66 N 0.00 -0.12 0.00 0.20 1.12 -1.32 -3.32 114.38 110.93 3lll h ARG 66 Ca 0.19 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.07 3lll h ARG 66 Cb 0.94 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.93 3lll h ARG 66 CO -0.00 0.36 -1.27 0.91 -3.11 0.00 0.00 179.97 176.85 3lll n TRP 67 N -4.90 0.55 0.30 2.20 7.02 -0.91 -3.43 117.44 118.28 3lll n TRP 67 Ca -0.08 0.16 0.19 0.00 -1.02 0.00 0.00 57.50 56.75 3lll n TRP 67 Cb 0.27 -0.72 0.92 0.00 -2.42 0.00 0.00 31.31 29.36 3lll n TRP 67 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 3lll h ARG 68 N 0.00 0.00 0.05 -0.99 2.43 -0.61 -0.89 114.38 114.37 3lll h ARG 68 Ca 0.00 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.89 3lll h ARG 68 Cb 0.94 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 3lll h ARG 68 CO 0.00 0.02 -1.54 0.94 -1.51 0.00 0.00 179.97 177.88 3lll n GLN 69 N -3.18 0.64 -0.17 0.20 7.27 -1.24 -3.47 117.38 117.43 3lll n GLN 69 Ca -0.01 0.46 0.02 0.00 0.07 0.00 0.00 57.00 57.54 3lll n GLN 69 Cb 0.19 -1.73 0.29 0.00 2.41 0.00 0.00 30.24 31.41 3lll n GLN 69 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3lll h LEU 70 N -0.62 0.76 -0.10 1.69 3.38 -1.51 0.20 115.31 119.10 3lll h LEU 70 Ca -0.38 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 3lll h LEU 70 Cb 1.57 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 3lll h LEU 70 CO -0.11 0.54 -0.16 0.58 0.09 0.00 0.00 178.44 179.39 3lll h VAL 71 N 0.89 1.39 0.00 1.22 2.07 -1.35 -0.74 116.25 119.73 3lll h VAL 71 Ca 0.25 -1.42 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 3lll h VAL 71 Cb -0.07 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3lll h VAL 71 CO -0.06 0.40 -0.26 -0.08 0.02 0.00 0.00 177.57 177.59 3lll h GLU 72 N -0.17 0.00 -0.01 1.57 4.22 -1.49 -1.86 114.58 116.84 3lll h GLU 72 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 3lll h GLU 72 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3lll h GLU 72 CO 0.04 0.26 -0.36 1.63 -2.18 0.00 0.00 179.01 178.40 3lll n LYS 73 N -3.68 0.91 -2.45 1.92 4.76 0.65 -4.95 118.16 115.33 3lll n LYS 73 Ca -0.01 -0.63 -0.24 0.00 -2.87 0.00 0.00 58.31 54.56 3lll n LYS 73 Cb 0.38 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 32.16 3lll n LYS 73 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3lll s GLY 74 N -2.52 1.76 0.00 0.72 0.00 -0.29 -4.97 107.32 102.03 3lll s GLY 74 Ca 0.22 -1.33 0.05 0.00 0.00 0.00 0.00 44.72 43.66 3lll s GLY 74 CO 0.55 -0.89 0.97 -1.05 0.00 0.00 0.00 173.10 172.68 3lll n PRO 75 N -2.77 0.75 -3.22 2.90 -0.02 -1.26 -4.69 135.00 126.69 3lll n PRO 75 Ca 0.11 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 61.14 3lll n PRO 75 Cb 0.60 -1.11 -0.06 0.00 -0.02 0.00 0.00 33.50 32.92 3lll n PRO 75 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3lll s GLN 76 N -2.00 3.04 0.27 -0.52 2.00 -1.26 -5.04 119.66 116.15 3lll s GLN 76 Ca 0.08 -1.29 0.02 0.00 -2.00 0.00 0.00 55.36 52.16 3lll s GLN 76 Cb 0.04 -4.20 0.02 0.00 0.80 0.00 0.00 33.01 29.66 3lll s GLN 76 CO 0.06 -1.32 0.14 0.66 -0.50 0.00 0.00 175.29 174.33 3lll n TYR 77 N 5.86 -0.55 -4.12 1.67 4.02 -1.26 -4.65 117.16 118.12 3lll n TYR 77 Ca -0.10 -1.19 0.00 0.00 -0.01 0.00 0.00 57.90 56.59 3lll n TYR 77 Cb 0.43 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 3lll n TYR 77 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3lll n GLY 78 N 1.77 -1.59 0.13 2.72 0.00 -1.26 -3.55 105.19 103.42 3lll n GLY 78 Ca -0.04 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 3lll n GLY 78 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3lll h THR 79 N 0.00 1.08 -0.89 2.61 1.35 -1.94 -2.20 112.91 112.91 3lll h THR 79 Ca 0.00 -0.15 0.18 0.00 -0.55 0.00 0.00 66.41 65.88 3lll h THR 79 Cb 0.00 0.68 -0.07 0.00 -1.73 0.00 0.00 68.15 67.03 3lll h THR 79 CO 0.00 0.08 0.58 0.58 -0.25 0.00 0.00 175.52 176.51 3lll h VAL 80 N 0.37 0.74 -0.20 6.82 2.07 -1.85 0.13 116.25 124.32 3lll h VAL 80 Ca 0.10 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3lll h VAL 80 Cb -0.03 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 3lll h VAL 80 CO -0.02 0.10 0.11 -0.08 0.02 0.00 0.00 177.57 177.70 3lll h GLU 81 N 0.54 0.28 -0.21 1.57 4.81 -1.45 -0.88 114.58 119.24 3lll h GLU 81 Ca 0.46 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.68 3lll h GLU 81 Cb 0.97 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 3lll h GLU 81 CO -0.20 0.27 0.07 0.87 -0.73 0.00 0.00 179.01 179.29 3lll h LYS 82 N 0.23 0.16 -0.88 1.92 6.56 -0.63 -0.40 116.57 123.53 3lll h LYS 82 Ca 0.07 -0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.74 3lll h LYS 82 Cb 0.06 -0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 31.61 3lll h LYS 82 CO -0.01 0.11 0.54 0.00 -2.06 0.00 0.00 179.45 178.02 3lll h ALA 83 N 1.13 1.26 0.64 3.86 0.00 -0.87 0.25 119.26 125.53 3lll h ALA 83 Ca 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3lll h ALA 83 Cb 0.06 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3lll h ALA 83 CO -0.09 0.21 -0.32 2.35 0.00 0.00 0.00 179.25 181.40 3lll h TRP 84 N 0.92 -0.82 -1.03 0.00 2.91 -0.63 -2.80 115.95 114.50 3lll h TRP 84 Ca 0.41 -0.02 0.29 0.00 1.13 0.00 0.00 58.89 60.70 3lll h TRP 84 Cb 0.31 0.27 -0.05 0.00 -0.51 0.00 0.00 29.16 29.19 3lll h TRP 84 CO -0.04 -0.51 0.72 0.82 -1.03 0.00 0.00 178.44 178.41 3lll h ILE 85 N -0.87 0.50 -0.57 2.65 2.04 -0.72 0.97 117.51 121.50 3lll h ILE 85 Ca -0.09 -0.03 0.16 0.00 1.00 0.00 0.00 64.86 65.90 3lll h ILE 85 Cb 0.67 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3lll h ILE 85 CO 0.14 0.02 0.51 0.00 0.00 0.00 0.00 178.15 178.82 3lll h ALA 86 N 1.51 2.37 -0.05 1.87 0.00 -0.22 0.86 119.26 125.60 3lll h ALA 86 Ca 0.51 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 3lll h ALA 86 Cb 1.85 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 3lll h ALA 86 CO -0.06 -0.80 -0.06 0.28 0.00 0.00 0.00 179.25 178.60 3lll h VAL 87 N 0.00 1.38 -0.94 0.00 2.07 -0.88 -2.98 116.25 114.91 3lll h VAL 87 Ca 0.27 -1.22 0.23 0.00 0.82 0.00 0.00 66.70 66.79 3lll h VAL 87 Cb 1.29 2.08 -0.12 0.00 -1.52 0.00 0.00 31.29 33.03 3lll h VAL 87 CO -0.00 0.33 0.48 0.24 0.02 0.00 0.00 177.57 178.64 3lll h MET 88 N -0.32 0.48 -0.37 1.57 2.07 -0.96 -0.13 114.93 117.27 3lll h MET 88 Ca 0.01 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 3lll h MET 88 Cb 0.57 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 30.17 3lll h MET 88 CO 0.01 0.32 0.23 0.77 1.07 0.00 0.00 176.91 179.31 3lll h SER 89 N 0.49 0.43 -0.02 1.22 0.02 -1.40 -1.31 113.55 112.98 3lll h SER 89 Ca 0.59 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.45 3lll h SER 89 Cb 1.10 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 3lll h SER 89 CO -0.49 0.34 -0.13 1.05 -1.14 0.00 0.00 176.83 176.46 3lll h GLU 90 N 0.49 0.31 0.00 3.45 -0.00 -0.95 0.88 114.58 118.76 3lll h GLU 90 Ca 0.13 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.36 59.39 3lll h GLU 90 Cb -0.02 -0.04 -0.00 0.00 -0.00 0.00 0.00 28.75 28.69 3lll h GLU 90 CO -0.03 0.45 -0.11 0.00 -0.00 0.00 0.00 179.01 179.32 3lll h ALA 91 N 1.58 1.10 0.02 1.06 0.00 -0.35 -1.36 119.26 121.31 3lll h ALA 91 Ca 0.06 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 3lll h ALA 91 Cb 0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3lll h ALA 91 CO 0.02 0.14 -1.25 0.93 0.00 0.00 0.00 179.25 179.10 3lll h GLU 92 N 0.00 0.04 0.00 0.00 5.08 -0.08 -3.07 114.58 116.56 3lll h GLU 92 Ca -0.00 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3lll h GLU 92 Cb 0.48 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3lll h GLU 92 CO 0.01 1.04 -0.10 0.00 -1.00 0.00 0.00 179.01 178.96 3lll h ARG 93 N -0.84 0.00 0.01 2.33 3.08 -0.87 0.78 114.38 118.87 3lll h ARG 93 Ca -0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 3lll h ARG 93 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 3lll h ARG 93 CO -0.15 0.10 -0.00 0.28 -1.07 0.00 0.00 179.97 179.13 3lll h VAL 94 N 0.00 1.50 -0.98 2.04 2.07 -1.40 -2.86 116.25 116.61 3lll h VAL 94 Ca -0.00 -1.54 0.20 0.00 0.82 0.00 0.00 66.70 66.17 3lll h VAL 94 Cb 0.20 2.53 -0.09 0.00 -1.52 0.00 0.00 31.29 32.41 3lll h VAL 94 CO 0.01 0.40 0.61 -1.28 0.02 0.00 0.00 177.57 177.33 3lll h SER 95 N -0.68 0.66 -0.28 0.57 0.87 -1.30 0.18 113.55 113.58 3lll h SER 95 Ca -0.00 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 3lll h SER 95 Cb 0.66 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3lll h SER 95 CO 0.00 0.24 0.05 -0.08 -0.53 0.00 0.00 176.83 176.52 3lll h GLU 96 N 0.65 0.55 -0.06 2.24 4.81 -0.84 -1.71 114.58 120.23 3lll h GLU 96 Ca 0.54 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.65 3lll h GLU 96 Cb 1.00 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 3lll h GLU 96 CO -0.31 0.54 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.40 3lll h LEU 97 N 0.54 0.14 -2.11 1.64 3.38 -0.44 -2.59 115.31 115.87 3lll h LEU 97 Ca 0.12 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3lll h LEU 97 Cb 0.27 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3lll h LEU 97 CO 0.00 0.56 -0.07 0.45 0.09 0.00 0.00 178.44 179.47 3lll h HIS 98 N -0.28 0.00 0.00 1.13 3.86 -1.19 0.38 115.15 119.06 3lll h HIS 98 Ca 0.01 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.08 3lll h HIS 98 Cb 0.51 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 3lll h HIS 98 CO 0.08 0.07 -0.68 -0.07 0.86 0.00 0.00 177.93 178.19 3lll h LEU 99 N 0.00 0.00 -1.01 2.43 3.38 -1.19 -2.00 115.31 116.92 3lll h LEU 99 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3lll h LEU 99 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3lll h LEU 99 CO 0.01 0.68 -0.42 -0.33 0.09 0.00 0.00 178.44 178.46 3lll h GLU 100 N 0.00 0.00 -0.03 1.13 5.08 -0.54 -2.36 114.58 117.86 3lll h GLU 100 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3lll h GLU 100 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3lll h GLU 100 CO 0.09 0.42 -0.07 0.28 -1.00 0.00 0.00 179.01 178.73 3lll h VAL 101 N 0.00 1.47 -0.36 3.13 2.07 -1.13 -0.85 116.25 120.57 3lll h VAL 101 Ca -0.00 -1.49 0.08 0.00 0.82 0.00 0.00 66.70 66.11 3lll h VAL 101 Cb 0.87 2.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.95 3lll h VAL 101 CO 0.06 0.40 -0.20 0.50 0.02 0.00 0.00 177.57 178.34 3lll h LYS 102 N -0.47 -0.14 0.07 1.57 3.11 -1.31 0.22 116.57 119.62 3lll h LYS 102 Ca -0.00 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3lll h LYS 102 Cb 0.69 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.95 3lll h LYS 102 CO 0.02 -0.09 -0.04 0.00 -2.81 0.00 0.00 179.45 176.53 3lll h ALA 103 N 1.08 -0.10 -0.80 5.00 0.00 -1.47 -1.15 119.26 121.82 3lll h ALA 103 Ca 0.18 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3lll h ALA 103 Cb 0.42 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3lll h ALA 103 CO -0.45 -0.51 0.46 0.77 0.00 0.00 0.00 179.25 179.52 3lll h SER 104 N -0.19 0.68 -0.24 0.00 0.02 -0.70 0.88 113.55 114.00 3lll h SER 104 Ca -0.01 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3lll h SER 104 Cb 0.16 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3lll h SER 104 CO 0.02 0.40 0.03 -0.07 -1.14 0.00 0.00 176.83 176.08 3lll h LEU 105 N 0.80 0.38 0.12 5.07 3.38 -0.40 -1.99 115.31 122.67 3lll h LEU 105 Ca 0.38 -0.27 -0.28 0.00 0.09 0.00 0.00 57.88 57.80 3lll h LEU 105 Cb 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3lll h LEU 105 CO -0.23 0.55 -1.28 0.24 0.09 0.00 0.00 178.44 177.81 3lll h MET 106 N 0.19 0.26 0.00 1.13 2.86 -0.70 0.28 114.93 118.95 3lll h MET 106 Ca 0.07 -0.44 -0.07 0.00 -2.06 0.00 0.00 59.70 57.20 3lll h MET 106 Cb 0.33 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3lll h MET 106 CO 0.01 1.19 -0.65 -0.91 1.06 0.00 0.00 176.91 177.60 3lll h ASN 107 N 0.07 0.00 0.00 1.22 2.35 0.70 -3.15 115.58 116.77 3lll h ASN 107 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3lll h ASN 107 Cb 1.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.34 3lll h ASN 107 CO 0.19 0.31 0.00 -0.62 -1.65 0.00 0.00 177.43 175.66 3lll n GLU 108 N -3.03 0.00 -0.36 0.81 1.02 -0.76 -4.56 120.64 113.77 3lll n GLU 108 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3lll n GLU 108 Cb 0.67 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 32.16 3lll n GLU 108 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3lll h ASP 109 N 0.00 -1.26 0.62 1.62 3.32 -1.49 0.68 116.42 119.89 3lll h ASP 109 Ca 0.00 0.30 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3lll h ASP 109 Cb 0.00 0.70 0.01 0.00 0.22 0.00 0.00 39.33 40.26 3lll h ASP 109 CO 0.00 -0.30 -0.30 0.15 -1.72 0.00 0.00 179.24 177.08 3lll h PHE 110 N -0.01 -0.77 0.00 4.55 3.57 -0.64 -2.23 116.94 121.42 3lll h PHE 110 Ca 0.37 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.85 3lll h PHE 110 Cb 0.62 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.62 3lll h PHE 110 CO -0.82 -0.48 0.13 0.93 -2.23 0.00 0.00 178.31 175.85 3lll h GLU 111 N -1.03 0.00 0.01 1.11 4.39 -1.34 -1.08 114.58 116.65 3lll h GLU 111 Ca -0.08 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 3lll h GLU 111 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3lll h GLU 111 CO 0.14 0.00 -0.01 -0.22 -1.16 0.00 0.00 179.01 177.76 3lll h LYS 112 N 0.00 -0.01 -0.16 2.33 3.64 0.47 -2.66 116.57 120.18 3lll h LYS 112 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3lll h LYS 112 Cb 0.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3lll h LYS 112 CO 0.00 0.79 0.08 0.82 -2.27 0.00 0.00 179.45 178.88 3lll h ILE 113 N -0.92 1.00 -0.32 2.00 2.04 -0.61 -0.71 117.51 119.99 3lll h ILE 113 Ca -0.00 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3lll h ILE 113 Cb 0.81 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 3lll h ILE 113 CO 0.00 0.03 -0.03 0.50 0.00 0.00 0.00 178.15 178.65 3lll h LYS 114 N 0.17 0.05 -0.27 2.37 3.64 -1.39 0.10 116.57 121.25 3lll h LYS 114 Ca 0.06 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3lll h LYS 114 Cb 0.01 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 3lll h LYS 114 CO -0.04 0.03 0.03 -0.97 -2.27 0.00 0.00 179.45 176.23 3lll h ASN 115 N 0.05 -0.04 -0.79 4.20 -1.24 -1.15 -2.52 115.58 114.09 3lll h ASN 115 Ca 0.15 0.05 -0.04 0.00 0.71 0.00 0.00 56.30 57.17 3lll h ASN 115 Cb 0.22 0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.31 3lll h ASN 115 CO -0.28 0.01 0.33 -0.25 -1.29 0.00 0.00 177.43 175.95 3lll h TRP 116 N 0.12 1.19 0.00 0.67 7.01 -0.67 -2.56 115.95 121.71 3lll h TRP 116 Ca 0.12 -0.08 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3lll h TRP 116 Cb 0.15 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 3lll h TRP 116 CO -0.18 0.89 0.00 0.37 -2.79 0.00 0.00 178.44 176.73 3lll h GLN 117 N 1.14 0.00 0.00 2.65 -0.00 -0.39 -2.53 115.11 115.98 3lll h GLN 117 Ca 0.27 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.62 3lll h GLN 117 Cb 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.62 3lll h GLN 117 CO -0.02 0.00 -2.12 1.17 0.00 0.00 0.00 178.83 177.86 3lll n LYS 118 N -2.69 0.67 0.00 1.69 4.81 -1.03 -3.64 118.16 117.97 3lll n LYS 118 Ca 0.01 0.05 0.16 0.00 -0.87 0.00 0.00 58.31 57.65 3lll n LYS 118 Cb 0.23 -1.60 0.91 0.00 0.02 0.00 0.00 35.03 34.60 3lll n LYS 118 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3lll n GLU 119 N -2.76 0.91 -0.06 1.64 4.07 -0.98 -3.06 120.64 120.40 3lll n GLU 119 Ca -0.24 -0.01 0.01 0.00 -0.06 0.00 0.00 57.16 56.86 3lll n GLU 119 Cb 1.04 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.94 3lll n GLU 119 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3lll n ALA 120 N -1.04 1.63 -3.71 4.31 0.00 -1.06 -5.03 120.51 115.62 3lll n ALA 120 Ca 0.22 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 3lll n ALA 120 Cb 0.13 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.36 3lll n ALA 120 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3lll s PHE 121 N -0.70 -0.32 -0.22 0.00 0.08 -1.17 -4.97 117.98 110.67 3lll s PHE 121 Ca 0.03 0.79 -0.01 0.00 0.12 0.00 0.00 56.93 57.86 3lll s PHE 121 Cb 0.03 -0.01 0.06 0.00 -0.57 0.00 0.00 43.02 42.53 3lll s PHE 121 CO 0.00 -0.26 0.01 -1.01 -0.10 0.00 0.00 175.22 173.86 3lll s HIS 122 N 1.64 1.62 0.39 0.36 3.76 -1.26 -4.73 115.29 117.07 3lll s HIS 122 Ca -0.06 -1.29 -0.27 0.00 -0.15 0.00 0.00 55.06 53.30 3lll s HIS 122 Cb -0.11 -1.31 -0.09 0.00 1.11 0.00 0.00 32.58 32.18 3lll s HIS 122 CO -0.08 -0.70 1.33 0.15 -0.85 0.00 0.00 174.74 174.59 3lll s LYS 123 N 1.65 4.04 0.99 1.40 1.02 -1.26 -0.46 119.74 127.12 3lll s LYS 123 Ca -0.02 2.23 -0.14 0.00 0.02 0.00 0.00 55.97 58.06 3lll s LYS 123 Cb -0.18 -2.84 0.18 0.00 -0.52 0.00 0.00 37.83 34.48 3lll s LYS 123 CO -0.09 -0.46 1.15 -0.65 -0.92 0.00 0.00 175.35 174.39 3lll s GLN 124 N -2.15 0.52 0.00 1.68 -0.21 0.19 -4.79 119.66 114.90 3lll s GLN 124 Ca 0.55 0.14 0.31 0.00 0.02 0.00 0.00 55.36 56.38 3lll s GLN 124 Cb -0.40 -1.78 1.61 0.00 1.00 0.00 0.00 33.01 33.44 3lll s GLN 124 CO 0.52 -2.59 2.09 -1.33 -2.12 0.00 0.00 175.29 171.86 3lll n MET 125 N -4.01 0.61 -0.00 2.91 2.81 -1.26 -3.37 117.12 114.81 3lll n MET 125 Ca 0.09 -0.02 0.02 0.00 -1.81 0.00 0.00 57.70 55.98 3lll n MET 125 Cb 0.59 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.57 3lll n MET 125 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3lll n MET 126 N -1.18 1.80 0.00 0.03 2.00 -1.26 -5.12 117.12 113.39 3lll n MET 126 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.85 3lll n MET 126 Cb 0.21 -0.97 0.00 0.00 0.00 0.00 0.00 33.22 32.46 3lll n MET 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3lll n GLY 127 N 1.93 2.96 0.00 3.03 0.00 -1.22 -5.15 105.19 106.74 3lll n GLY 127 Ca -0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3lll n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lll n GLY 128 N 0.24 0.04 3.77 -0.02 0.00 -1.26 -4.48 105.19 103.48 3lll n GLY 128 Ca 0.00 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 3lll n GLY 128 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3lll s PHE 129 N -1.65 3.29 0.45 1.61 0.40 -1.26 0.56 117.98 121.37 3lll s PHE 129 Ca 0.00 0.23 0.18 0.00 -0.60 0.00 0.00 56.93 56.74 3lll s PHE 129 Cb 0.00 -1.76 1.13 0.00 0.51 0.00 0.00 43.02 42.89 3lll s PHE 129 CO 0.00 0.55 1.93 -0.22 0.70 0.00 0.00 175.22 178.18 3lll h LYS 130 N 4.37 0.32 0.00 0.44 3.11 -1.08 0.11 116.57 123.85 3lll h LYS 130 Ca -0.50 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.26 3lll h LYS 130 Cb 1.19 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.34 3lll h LYS 130 CO 0.60 0.21 -0.30 1.05 -2.81 0.00 0.00 179.45 178.21 3lll h GLU 131 N 0.33 0.00 -0.09 1.90 9.09 -1.93 -2.23 114.58 121.65 3lll h GLU 131 Ca 0.36 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.69 3lll h GLU 131 Cb 0.93 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.03 3lll h GLU 131 CO -0.10 0.30 -0.25 1.15 0.05 0.00 0.00 179.01 180.16 3lll h THR 132 N 0.00 1.41 0.00 -1.06 2.02 -1.20 -2.84 112.91 111.23 3lll h THR 132 Ca -0.00 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.58 3lll h THR 132 Cb 1.19 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 3lll h THR 132 CO 0.04 0.46 0.00 1.17 0.37 0.00 0.00 175.52 177.56 3lll n LYS 133 N -4.48 0.95 0.03 6.66 4.81 -0.71 -3.43 118.16 121.99 3lll n LYS 133 Ca -0.08 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.17 3lll n LYS 133 Cb 0.45 -1.47 -0.14 0.00 0.02 0.00 0.00 35.03 33.89 3lll n LYS 133 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3lll h GLU 134 N 0.00 0.26 0.21 1.64 4.57 -1.15 -3.28 114.58 116.83 3lll h GLU 134 Ca 0.00 -0.44 -0.32 0.00 -1.18 0.00 0.00 59.36 57.42 3lll h GLU 134 Cb 0.00 0.16 0.03 0.00 -0.16 0.00 0.00 28.75 28.78 3lll h GLU 134 CO 0.00 1.21 -1.48 0.00 -1.18 0.00 0.00 179.01 177.56 3lll h ALA 135 N 0.06 -0.04 0.28 2.92 0.00 -1.59 -3.14 119.26 117.74 3lll h ALA 135 Ca -0.14 -0.94 0.01 0.00 0.00 0.00 0.00 54.91 53.84 3lll h ALA 135 Cb 1.57 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 3lll h ALA 135 CO 0.12 0.76 -0.38 1.49 0.00 0.00 0.00 179.25 181.24 3lll h GLU 136 N 0.04 -0.69 -0.61 0.00 4.81 -1.74 0.39 114.58 116.77 3lll h GLU 136 Ca -0.27 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.13 3lll h GLU 136 Cb 2.06 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 31.56 3lll h GLU 136 CO 0.22 -0.46 0.42 -0.44 -0.73 0.00 0.00 179.01 178.01 3lll h ASP 137 N -0.72 0.28 -0.28 1.04 5.19 -1.72 -1.60 116.42 118.61 3lll h ASP 137 Ca -0.01 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 3lll h ASP 137 Cb 0.68 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 3lll h ASP 137 CO -0.13 0.16 -0.14 1.23 -3.12 0.00 0.00 179.24 177.24 3lll h GLY 138 N 0.31 0.65 0.98 2.75 0.00 -1.02 -2.07 103.07 104.66 3lll h GLY 138 Ca 0.29 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3lll h GLY 138 CO -0.07 0.54 0.11 0.74 0.00 0.00 0.00 176.54 177.86 3lll h PHE 139 N 0.34 0.23 -0.97 5.60 0.04 0.61 -2.67 116.94 120.13 3lll h PHE 139 Ca 0.06 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.85 3lll h PHE 139 Cb 0.66 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.69 3lll h PHE 139 CO 0.06 0.17 0.64 0.00 -0.60 0.00 0.00 178.31 178.58 3lll h ARG 140 N 0.22 1.26 -0.59 1.51 3.08 -1.37 0.89 114.38 119.38 3lll h ARG 140 Ca 0.06 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.11 3lll h ARG 140 Cb 0.01 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 29.74 3lll h ARG 140 CO -0.01 0.83 0.39 -0.22 -1.07 0.00 0.00 179.97 179.89 3lll h LYS 141 N 1.30 0.49 0.00 0.04 3.64 -1.09 0.21 116.57 121.15 3lll h LYS 141 Ca 0.36 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3lll h LYS 141 Cb -0.13 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 3lll h LYS 141 CO -0.08 0.32 -1.13 0.00 -2.27 0.00 0.00 179.45 176.29 3lll n ALA 142 N -2.50 3.42 -0.03 5.00 0.00 -0.61 -4.37 120.51 121.42 3lll n ALA 142 Ca 0.09 -0.43 0.02 0.00 0.00 0.00 0.00 53.44 53.12 3lll n ALA 142 Cb 0.28 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.68 3lll n ALA 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3lll n GLN 143 N -1.98 0.94 -0.13 0.00 7.27 0.21 -4.61 117.38 119.08 3lll n GLN 143 Ca 0.01 -0.09 -0.04 0.00 0.07 0.00 0.00 57.00 56.96 3lll n GLN 143 Cb 0.45 -1.36 0.04 0.00 2.41 0.00 0.00 30.24 31.78 3lll n GLN 143 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3lll h LYS 144 N 0.00 0.19 -0.82 3.69 3.64 -0.81 0.17 116.57 122.62 3lll h LYS 144 Ca -0.14 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3lll h LYS 144 Cb 1.14 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.85 3lll h LYS 144 CO 0.01 0.12 0.49 -1.35 -2.27 0.00 0.00 179.45 176.45 3lll h PRO 145 N 0.19 0.84 -0.38 1.90 0.11 -1.82 0.11 132.00 132.94 3lll h PRO 145 Ca 0.21 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.15 3lll h PRO 145 Cb 0.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3lll h PRO 145 CO -0.29 0.55 -0.24 2.35 -0.21 0.00 0.00 178.00 180.16 3lll h TRP 146 N 0.86 0.89 0.16 0.65 2.91 -1.56 -2.03 115.95 117.84 3lll h TRP 146 Ca 0.38 -0.21 -0.01 0.00 1.13 0.00 0.00 58.89 60.18 3lll h TRP 146 Cb 0.26 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.70 3lll h TRP 146 CO -0.05 0.94 -0.08 0.00 -1.03 0.00 0.00 178.44 178.23 3lll h ALA 147 N 1.05 -0.22 -0.09 2.65 0.00 0.12 -1.75 119.26 121.02 3lll h ALA 147 Ca 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3lll h ALA 147 Cb 0.76 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3lll h ALA 147 CO 0.06 -0.45 -0.12 1.57 0.00 0.00 0.00 179.25 180.32 3lll h LYS 148 N -0.57 0.13 0.00 0.00 2.10 -0.86 0.13 116.57 117.50 3lll h LYS 148 Ca -0.02 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.57 3lll h LYS 148 Cb 0.43 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.74 3lll h LYS 148 CO 0.04 0.26 -0.15 -0.22 -2.00 0.00 0.00 179.45 177.38 3lll h LYS 149 N 0.13 0.00 0.03 0.07 1.63 -1.31 -3.10 116.57 114.02 3lll h LYS 149 Ca 0.03 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.54 3lll h LYS 149 Cb 0.30 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.89 3lll h LYS 149 CO 0.02 0.15 -1.60 1.25 -3.45 0.00 0.00 179.45 175.82 3lll h LEU 150 N 0.00 0.09 -2.08 5.20 6.46 -0.11 -3.28 115.31 121.60 3lll h LEU 150 Ca -0.00 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.58 3lll h LEU 150 Cb 0.83 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.73 3lll h LEU 150 CO 0.02 1.14 -0.08 0.50 -0.62 0.00 0.00 178.44 179.40 3lll h LYS 151 N 0.02 0.00 0.02 1.25 3.64 -0.76 0.20 116.57 120.94 3lll h LYS 151 Ca -0.25 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.90 3lll h LYS 151 Cb 1.98 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.82 3lll h LYS 151 CO 0.10 0.08 -0.90 0.93 -2.27 0.00 0.00 179.45 177.39 3lll h GLU 152 N 0.00 0.58 -0.64 1.90 5.08 -1.65 -2.83 114.58 117.02 3lll h GLU 152 Ca -0.00 -0.65 -0.06 0.00 -1.00 0.00 0.00 59.36 57.65 3lll h GLU 152 Cb 0.25 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3lll h GLU 152 CO 0.01 1.25 0.15 0.28 -1.00 0.00 0.00 179.01 179.71 3lll h VAL 153 N 0.18 1.25 -0.23 3.13 2.07 -1.34 -0.53 116.25 120.78 3lll h VAL 153 Ca -0.12 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 3lll h VAL 153 Cb 1.59 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3lll h VAL 153 CO 0.18 0.35 -0.08 -0.08 0.02 0.00 0.00 177.57 177.95 3lll h GLU 154 N 0.97 0.36 0.01 1.57 4.57 -0.68 -0.67 114.58 120.71 3lll h GLU 154 Ca 0.20 -0.08 -0.24 0.00 -1.18 0.00 0.00 59.36 58.07 3lll h GLU 154 Cb 0.34 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3lll h GLU 154 CO 0.00 0.46 -0.98 0.00 -1.18 0.00 0.00 179.01 177.31 3lll h ALA 155 N 1.57 0.31 0.00 2.92 0.00 -1.20 -3.02 119.26 119.84 3lll h ALA 155 Ca 0.07 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 3lll h ALA 155 Cb 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3lll h ALA 155 CO 0.02 0.81 -0.12 0.00 0.00 0.00 0.00 179.25 179.95 3lll h ALA 156 N 0.68 1.32 -0.26 0.00 0.00 -0.42 -2.40 119.26 118.17 3lll h ALA 156 Ca -0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3lll h ALA 156 Cb 1.62 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3lll h ALA 156 CO 0.17 0.15 -0.16 -0.22 0.00 0.00 0.00 179.25 179.20 3lll h LYS 157 N 0.00 0.57 -1.03 0.00 3.64 -1.02 -1.46 116.57 117.27 3lll h LYS 157 Ca -0.00 -0.26 -0.20 0.00 -1.27 0.00 0.00 60.65 58.91 3lll h LYS 157 Cb 0.33 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.02 3lll h LYS 157 CO 0.02 0.83 0.26 1.17 -2.27 0.00 0.00 179.45 179.46 3lll n LYS 158 N -4.43 1.49 0.00 1.90 4.81 -0.94 -2.61 118.16 118.39 3lll n LYS 158 Ca -0.04 -1.17 0.00 0.00 -0.87 0.00 0.00 58.31 56.23 3lll n LYS 158 Cb 0.38 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.97 3lll n LYS 158 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3lll n ALA 159 N -0.11 2.17 0.07 3.14 0.00 -0.89 -4.62 120.51 120.27 3lll n ALA 159 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.45 3lll n ALA 159 Cb 0.94 0.38 -0.15 0.00 0.00 0.00 0.00 19.45 20.62 3lll n ALA 159 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3lll h HIS 160 N 0.00 0.70 -0.00 0.00 -0.00 -1.36 -3.13 115.15 111.36 3lll h HIS 160 Ca 0.00 -0.51 -0.00 0.00 -0.00 0.00 0.00 60.37 59.86 3lll h HIS 160 Cb 0.77 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.15 3lll h HIS 160 CO 0.00 1.57 0.00 0.72 -0.00 0.00 0.00 177.93 180.22 3lll n HIS 161 N -3.78 0.00 0.00 5.26 -0.00 -1.07 -0.81 115.22 114.82 3lll n HIS 161 Ca -0.21 -0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.37 3lll n HIS 161 Cb 1.01 -0.14 0.00 0.00 -0.00 0.00 0.00 29.99 30.86 3lll n HIS 161 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 3lll n THR 162 N 0.13 0.00 -0.09 1.59 -1.04 -1.23 -4.46 114.28 109.18 3lll n THR 162 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 3lll n THR 162 Cb 0.32 -0.74 -0.15 0.00 -1.82 0.00 0.00 70.33 67.93 3lll n THR 162 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lll n ALA 163 N -1.74 1.66 0.04 2.41 0.00 -1.12 -3.09 120.51 118.67 3lll n ALA 163 Ca 0.00 -1.19 -0.09 0.00 0.00 0.00 0.00 53.44 52.16 3lll n ALA 163 Cb 0.39 -0.23 0.06 0.00 0.00 0.00 0.00 19.45 19.67 3lll n ALA 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lll h LYS 165 N 0.33 0.00 0.00 0.00 3.64 -1.76 -2.84 116.57 115.94 3lll h LYS 165 Ca -0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3lll h LYS 165 Cb 1.18 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3lll h LYS 165 CO 0.11 0.29 -0.09 1.49 -2.27 0.00 0.00 179.45 178.98 3lll h GLU 166 N 0.00 0.00 0.08 1.90 4.57 -1.40 -3.10 114.58 116.63 3lll h GLU 166 Ca -0.01 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.91 3lll h GLU 166 Cb 1.24 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.85 3lll h GLU 166 CO 0.04 0.09 -1.06 1.49 -1.18 0.00 0.00 179.01 178.39 3lll h GLU 167 N 0.00 0.58 -0.47 1.92 4.81 -0.83 -3.15 114.58 117.44 3lll h GLU 167 Ca -0.00 -0.73 0.01 0.00 -0.13 0.00 0.00 59.36 58.50 3lll h GLU 167 Cb 0.64 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 3lll h GLU 167 CO 0.01 1.32 0.32 -0.22 -0.73 0.00 0.00 179.01 179.70 3lll h LYS 168 N 0.19 0.62 0.00 1.92 3.64 -1.47 0.23 116.57 121.70 3lll h LYS 168 Ca -0.15 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 3lll h LYS 168 Cb 1.75 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.42 3lll h LYS 168 CO 0.21 0.41 -0.20 -0.07 -2.27 0.00 0.00 179.45 177.53 3lll h LEU 169 N 0.64 0.00 -0.97 5.20 3.38 -1.61 -2.79 115.31 119.17 3lll h LEU 169 Ca 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3lll h LEU 169 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3lll h LEU 169 CO -0.04 0.20 -0.41 0.00 0.09 0.00 0.00 178.44 178.28 3lll h ALA 170 N 1.80 1.03 0.00 1.53 0.00 -0.91 -2.65 119.26 120.07 3lll h ALA 170 Ca -0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 3lll h ALA 170 Cb 0.79 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3lll h ALA 170 CO 0.03 0.51 -0.61 0.82 0.00 0.00 0.00 179.25 179.99 3lll h ILE 171 N 0.00 1.23 -0.55 0.00 2.04 -1.25 -3.19 117.51 115.79 3lll h ILE 171 Ca -0.00 -2.28 -0.05 0.00 1.00 0.00 0.00 64.86 63.53 3lll h ILE 171 Cb 0.89 2.31 -0.03 0.00 -0.74 0.00 0.00 36.82 39.25 3lll h ILE 171 CO 0.05 0.60 0.15 0.28 0.00 0.00 0.00 178.15 179.24 3lll h SER 172 N 0.00 0.77 0.60 1.72 0.02 -1.42 0.63 113.55 115.87 3lll h SER 172 Ca -0.01 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3lll h SER 172 Cb 1.26 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 3lll h SER 172 CO 0.08 0.75 -0.01 0.03 -1.14 0.00 0.00 176.83 176.54 3lll h ARG 173 N 0.81 0.00 0.04 3.45 -0.00 -1.53 -1.87 114.38 115.29 3lll h ARG 173 Ca 0.18 0.00 -0.38 0.00 -0.50 0.00 0.00 59.98 59.28 3lll h ARG 173 Cb 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.18 3lll h ARG 173 CO -0.01 0.01 -2.29 -1.91 0.00 0.00 0.00 179.97 175.77 3lll n GLU 174 N -3.11 0.69 0.23 0.04 2.13 -0.77 -4.29 120.64 115.55 3lll n GLU 174 Ca -0.01 0.18 0.06 0.00 0.66 0.00 0.00 57.16 58.06 3lll n GLU 174 Cb 0.21 -1.59 0.55 0.00 0.27 0.00 0.00 31.44 30.88 3lll n GLU 174 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3lll h ALA 175 N 0.13 1.74 0.00 4.31 0.00 -0.72 -1.17 119.26 123.54 3lll h ALA 175 Ca -0.52 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3lll h ALA 175 Cb 1.97 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3lll h ALA 175 CO -0.02 0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.50 3lll n ASN 176 N -4.33 0.00 -4.05 0.00 3.02 -0.72 -4.02 115.26 105.16 3lll n ASN 176 Ca -0.03 0.27 -0.43 0.00 -0.03 0.00 0.00 54.58 54.36 3lll n ASN 176 Cb 0.21 -0.39 0.01 0.00 -0.61 0.00 0.00 39.78 39.00 3lll n ASN 176 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3lll n SER 177 N -1.39 6.05 0.00 6.41 2.88 -0.44 -4.53 113.62 122.60 3lll n SER 177 Ca 0.05 -3.29 0.00 0.00 -1.33 0.00 0.00 58.87 54.30 3lll n SER 177 Cb 0.14 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.27 3lll n SER 177 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3lll n LYS 178 N 2.07 1.93 -2.73 -1.46 2.85 -1.26 -4.85 118.16 114.71 3lll n LYS 178 Ca 0.28 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.49 3lll n LYS 178 Cb 0.35 -0.97 0.04 0.00 -0.65 0.00 0.00 35.03 33.80 3lll n LYS 178 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3lll n ALA 179 N -2.17 3.05 -3.09 0.58 0.00 -1.26 -4.97 120.51 112.65 3lll n ALA 179 Ca 0.00 -2.97 -0.17 0.00 0.00 0.00 0.00 53.44 50.30 3lll n ALA 179 Cb 0.47 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 3lll n ALA 179 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3lll n ASP 180 N -0.38 -1.59 -3.36 0.00 5.75 -1.26 -5.04 116.55 110.68 3lll n ASP 180 Ca 0.10 -2.70 -0.30 0.00 -0.01 0.00 0.00 54.79 51.88 3lll n ASP 180 Cb 0.81 0.43 -0.04 0.00 -1.03 0.00 0.00 41.12 41.29 3lll n ASP 180 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 3lll n PRO 181 N 2.50 1.29 0.00 0.11 -0.02 -1.26 -4.70 135.00 132.92 3lll n PRO 181 Ca 0.22 -1.40 0.00 0.00 -2.02 0.00 0.00 63.50 60.30 3lll n PRO 181 Cb 0.53 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3lll n PRO 181 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3lll n SER 182 N 6.15 0.00 -4.29 2.55 7.64 -1.26 -5.00 113.62 119.41 3lll n SER 182 Ca 0.40 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.98 3lll n SER 182 Cb 0.25 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.62 3lll n SER 182 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3lll s LEU 183 N 0.00 2.37 0.71 -3.43 1.43 -1.26 -5.09 118.68 113.41 3lll s LEU 183 Ca 0.00 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 3lll s LEU 183 Cb 0.00 -2.58 0.12 0.00 0.03 0.00 0.00 46.19 43.77 3lll s LEU 183 CO 0.00 -2.74 0.98 0.20 0.23 0.00 0.00 176.35 175.02 3lll s ASN 184 N -4.64 4.40 0.40 2.29 -0.87 -1.26 -4.91 114.94 110.35 3lll s ASN 184 Ca 0.71 -0.41 0.17 0.00 -1.57 0.00 0.00 52.86 51.75 3lll s ASN 184 Cb -0.07 0.02 0.90 0.00 -0.02 0.00 0.00 41.25 42.09 3lll s ASN 184 CO 0.53 -1.83 1.43 -0.65 -2.57 0.00 0.00 177.10 174.01 3lll h PRO 185 N -0.47 0.00 -0.90 -0.60 0.11 -1.98 0.12 132.00 128.27 3lll h PRO 185 Ca -0.36 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.79 3lll h PRO 185 Cb 1.27 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 3lll h PRO 185 CO 0.40 0.00 0.59 1.49 -0.21 0.00 0.00 178.00 180.27 3lll h GLU 186 N 0.00 1.09 0.03 1.05 4.57 -2.01 -1.25 114.58 118.07 3lll h GLU 186 Ca 0.00 -0.07 -0.22 0.00 -1.18 0.00 0.00 59.36 57.90 3lll h GLU 186 Cb 0.60 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 3lll h GLU 186 CO 0.00 0.72 -1.01 0.37 -1.18 0.00 0.00 179.01 177.91 3lll h GLN 187 N 1.13 0.09 -0.28 1.92 5.75 -1.11 -3.17 115.11 119.44 3lll h GLN 187 Ca 0.36 -0.14 0.07 0.00 -0.15 0.00 0.00 58.65 58.80 3lll h GLN 187 Cb 0.02 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 3lll h GLN 187 CO -0.11 1.02 0.20 1.25 -2.65 0.00 0.00 178.83 178.54 3lll h LEU 188 N 0.03 0.03 -0.83 -2.39 5.85 -1.17 0.05 115.31 116.88 3lll h LEU 188 Ca -0.04 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 3lll h LEU 188 Cb 1.74 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.75 3lll h LEU 188 CO 0.14 0.02 -0.33 0.50 -0.34 0.00 0.00 178.44 178.43 3lll h LYS 189 N 0.03 0.49 -0.53 1.25 1.63 -1.24 0.16 116.57 118.37 3lll h LYS 189 Ca 0.13 -0.21 -0.07 0.00 -0.85 0.00 0.00 60.65 59.65 3lll h LYS 189 Cb 0.49 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 3lll h LYS 189 CO -0.01 0.76 0.06 -0.22 -3.45 0.00 0.00 179.45 176.59 3lll h LYS 190 N 0.42 0.85 0.00 1.90 1.63 -1.08 -0.27 116.57 120.01 3lll h LYS 190 Ca 0.05 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 3lll h LYS 190 Cb 0.78 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 3lll h LYS 190 CO 0.06 0.81 -0.48 1.28 -3.45 0.00 0.00 179.45 177.67 3lll n LEU 191 N -4.23 0.72 0.11 5.20 4.77 -1.08 -3.67 117.00 118.83 3lll n LEU 191 Ca 0.03 0.30 0.02 0.00 -0.03 0.00 0.00 56.01 56.33 3lll n LEU 191 Cb 0.27 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3lll n LEU 191 CO 0.41 -0.08 0.28 -0.61 -1.33 0.00 0.00 177.39 176.06 3lll h GLN 192 N 0.00 0.00 -0.01 3.23 4.15 0.08 -3.27 115.11 119.29 3lll h GLN 192 Ca 0.00 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.25 3lll h GLN 192 Cb 0.74 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 3lll h GLN 192 CO 0.00 0.46 -0.76 -0.44 -1.93 0.00 0.00 178.83 176.16 3lll h ASP 193 N 0.00 0.14 0.44 -0.69 3.32 -1.14 -2.95 116.42 115.53 3lll h ASP 193 Ca -0.04 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3lll h ASP 193 Cb 1.44 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.95 3lll h ASP 193 CO 0.06 0.85 0.00 0.29 -1.72 0.00 0.00 179.24 178.72 3lll n LYS 194 N -3.70 0.15 0.07 3.56 5.02 -1.23 -1.12 118.16 120.91 3lll n LYS 194 Ca -0.02 0.48 -0.06 0.00 -2.02 0.00 0.00 58.31 56.69 3lll n LYS 194 Cb 0.73 -1.85 0.10 0.00 -0.02 0.00 0.00 35.03 33.99 3lll n LYS 194 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3lll h ILE 195 N 0.00 1.38 -0.47 -0.18 2.04 -1.64 -1.17 117.51 117.47 3lll h ILE 195 Ca 0.00 -1.98 -0.32 0.00 1.00 0.00 0.00 64.86 63.56 3lll h ILE 195 Cb 0.22 1.99 -0.22 0.00 -0.74 0.00 0.00 36.82 38.06 3lll h ILE 195 CO 0.00 0.59 -0.41 1.21 0.00 0.00 0.00 178.15 179.54 3lll n GLU 196 N -3.88 2.55 0.12 2.37 4.07 -0.28 -4.31 120.64 121.28 3lll n GLU 196 Ca -0.03 -3.63 0.00 0.00 -0.06 0.00 0.00 57.16 53.45 3lll n GLU 196 Cb 0.63 -1.99 0.00 0.00 -0.06 0.00 0.00 31.44 30.02 3lll n GLU 196 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3lll n LYS 197 N -0.94 0.00 -0.14 5.31 0.00 -0.75 -4.82 118.16 116.81 3lll n LYS 197 Ca 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.55 3lll n LYS 197 Cb 0.89 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.90 3lll n LYS 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3lll h LYS 199 N 0.73 0.12 -0.30 0.00 1.57 -1.72 -2.16 116.57 114.81 3lll h LYS 199 Ca 0.09 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 3lll h LYS 199 Cb 0.80 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3lll h LYS 199 CO 0.07 0.23 -0.29 1.96 -0.57 0.00 0.00 179.45 180.85 3lll h GLN 200 N 0.12 0.63 0.00 3.15 4.20 -1.79 -2.34 115.11 119.08 3lll h GLN 200 Ca 0.03 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3lll h GLN 200 Cb 0.26 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3lll h GLN 200 CO 0.02 0.85 0.00 -0.25 -0.67 0.00 0.00 178.83 178.77 3lll n ASP 201 N -4.09 0.00 -0.04 1.46 8.00 -0.82 -1.01 116.55 120.05 3lll n ASP 201 Ca -0.01 -0.36 -0.05 0.00 0.71 0.00 0.00 54.79 55.08 3lll n ASP 201 Cb 0.45 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 3lll n ASP 201 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3lll n VAL 202 N -1.04 0.53 0.64 2.53 0.31 -0.93 -4.14 118.33 116.25 3lll n VAL 202 Ca 0.10 -0.27 0.12 0.00 -0.01 0.00 0.00 64.34 64.28 3lll n VAL 202 Cb 0.05 -0.82 0.20 0.00 -0.91 0.00 0.00 33.84 32.36 3lll n VAL 202 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3lll n LEU 203 N -2.50 0.65 -0.05 7.52 4.77 -0.93 -2.19 117.00 124.27 3lll n LEU 203 Ca -0.14 0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 3lll n LEU 203 Cb 0.72 -0.20 -0.15 0.00 -2.33 0.00 0.00 43.42 41.46 3lll n LEU 203 CO 0.13 -0.03 -0.76 2.29 -1.33 0.00 0.00 177.39 177.70 3lll n LYS 204 N -2.01 0.66 0.01 3.23 2.85 -0.18 -3.39 118.16 119.33 3lll n LYS 204 Ca 0.04 0.20 -0.18 0.00 -1.05 0.00 0.00 58.31 57.32 3lll n LYS 204 Cb 0.42 -1.70 -0.13 0.00 -0.65 0.00 0.00 35.03 32.97 3lll n LYS 204 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 3lll h THR 205 N 0.00 1.54 0.00 0.58 2.02 -1.72 -2.53 112.91 112.81 3lll h THR 205 Ca -0.38 -2.28 -0.00 0.00 0.77 0.00 0.00 66.41 64.51 3lll h THR 205 Cb 2.08 3.00 -0.00 0.00 -1.74 0.00 0.00 68.15 71.50 3lll h THR 205 CO 0.06 0.64 -0.00 0.50 0.37 0.00 0.00 175.52 177.09 3lll h LYS 206 N -0.43 0.00 -0.45 6.66 3.64 -1.64 0.41 116.57 124.76 3lll h LYS 206 Ca -0.08 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.16 3lll h LYS 206 Cb 1.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 3lll h LYS 206 CO 0.10 0.00 -0.25 0.22 -2.27 0.00 0.00 179.45 177.25 3lll h ASP 207 N 0.00 0.98 0.81 4.20 1.82 -1.56 -2.27 116.42 120.41 3lll h ASP 207 Ca -0.00 -0.39 -0.18 0.00 -0.39 0.00 0.00 57.03 56.07 3lll h ASP 207 Cb 0.00 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.71 3lll h ASP 207 CO 0.00 1.18 -0.87 0.11 -1.61 0.00 0.00 179.24 178.05 3lll h LYS 208 N 0.81 0.03 0.00 0.28 1.57 -0.81 -2.99 116.57 115.46 3lll h LYS 208 Ca 0.10 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3lll h LYS 208 Cb 0.83 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 3lll h LYS 208 CO 0.07 0.88 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.85 3lll h TYR 209 N 0.02 0.00 0.05 -1.35 3.20 -0.04 -1.58 116.97 117.27 3lll h TYR 209 Ca -0.02 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 3lll h TYR 209 Cb 1.53 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.80 3lll h TYR 209 CO 0.01 0.06 -0.02 0.93 -1.64 0.00 0.00 178.16 177.49 3lll h GLU 210 N 0.00 -0.06 -0.39 1.82 4.39 -1.26 -3.19 114.58 115.89 3lll h GLU 210 Ca -0.00 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.78 3lll h GLU 210 Cb 0.13 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.71 3lll h GLU 210 CO 0.01 0.30 -0.13 -0.22 -1.16 0.00 0.00 179.01 177.81 3lll h LYS 211 N -0.43 -0.05 -0.90 2.33 3.64 -1.29 0.13 116.57 120.01 3lll h LYS 211 Ca -0.01 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 3lll h LYS 211 Cb 0.39 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 3lll h LYS 211 CO 0.01 -0.03 0.59 0.77 -2.27 0.00 0.00 179.45 178.52 3lll h SER 212 N -0.05 0.47 0.04 4.20 0.02 -1.44 0.34 113.55 117.14 3lll h SER 212 Ca 0.19 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 3lll h SER 212 Cb 0.34 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 3lll h SER 212 CO -0.43 0.20 -0.59 -0.07 -1.14 0.00 0.00 176.83 174.80 3lll h LEU 213 N 0.47 0.15 -0.59 5.07 3.38 -1.19 -2.74 115.31 119.86 3lll h LEU 213 Ca 0.47 -0.88 0.03 0.00 0.09 0.00 0.00 57.88 57.59 3lll h LEU 213 Cb 1.07 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3lll h LEU 213 CO -0.19 1.25 0.35 0.50 0.09 0.00 0.00 178.44 180.44 3lll h LYS 214 N -0.78 0.66 -0.08 1.13 3.11 -0.27 -0.59 116.57 119.75 3lll h LYS 214 Ca -0.13 -0.04 -0.11 0.00 -2.81 0.00 0.00 60.65 57.55 3lll h LYS 214 Cb 1.29 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 32.36 3lll h LYS 214 CO 0.00 0.43 -0.47 1.49 -2.81 0.00 0.00 179.45 178.10 3lll h GLU 215 N 0.68 0.20 -0.13 1.90 4.81 -0.48 -2.81 114.58 118.75 3lll h GLU 215 Ca 0.24 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 3lll h GLU 215 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3lll h GLU 215 CO -0.12 0.63 -0.44 1.25 -0.73 0.00 0.00 179.01 179.60 3lll h LEU 216 N 0.16 0.32 -1.49 1.64 5.85 -1.04 -2.65 115.31 118.10 3lll h LEU 216 Ca 0.01 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3lll h LEU 216 Cb 0.89 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3lll h LEU 216 CO 0.07 0.73 -0.22 0.44 -0.34 0.00 0.00 178.44 179.12 3lll h ASP 217 N 0.25 0.00 0.85 1.25 3.45 -0.87 -0.51 116.42 120.83 3lll h ASP 217 Ca 0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3lll h ASP 217 Cb 0.88 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.65 3lll h ASP 217 CO 0.07 0.22 0.00 0.00 -1.57 0.00 0.00 179.24 177.96 3lll n GLN 218 N -3.63 0.01 -0.67 3.56 6.02 -1.00 -3.20 117.38 118.46 3lll n GLN 218 Ca -0.01 0.10 0.04 0.00 -0.01 0.00 0.00 57.00 57.11 3lll n GLN 218 Cb 0.35 -1.52 0.20 0.00 1.02 0.00 0.00 30.24 30.29 3lll n GLN 218 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3lll n THR 219 N -1.54 2.28 -0.02 5.09 -1.04 -0.21 -4.65 114.28 114.20 3lll n THR 219 Ca 0.06 -3.19 -0.02 0.00 -2.04 0.00 0.00 64.05 58.86 3lll n THR 219 Cb 0.29 -0.28 -0.02 0.00 -1.82 0.00 0.00 70.33 68.50 3lll n THR 219 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3lll n THR 220 N -1.11 0.21 -0.07 12.58 5.66 -1.14 -4.01 114.28 126.40 3lll n THR 220 Ca 0.22 -0.12 -0.13 0.00 -3.05 0.00 0.00 64.05 60.97 3lll n THR 220 Cb 0.75 -0.87 -0.06 0.00 -1.55 0.00 0.00 70.33 68.61 3lll n THR 220 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3lll h PRO 221 N 0.00 0.49 0.00 1.09 0.11 -1.83 -0.10 132.00 131.76 3lll h PRO 221 Ca -0.08 -0.25 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 3lll h PRO 221 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3lll h PRO 221 CO 0.00 0.81 -0.21 0.37 -0.21 0.00 0.00 178.00 178.77 3lll h GLN 222 N 0.17 0.00 0.04 1.05 5.75 -1.84 -1.66 115.11 118.62 3lll h GLN 222 Ca 0.04 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3lll h GLN 222 Cb 0.71 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.26 3lll h GLN 222 CO 0.05 0.21 -0.02 -0.92 -2.65 0.00 0.00 178.83 175.49 3lll h TYR 223 N 0.00 -0.05 -0.38 3.99 3.20 -1.63 -2.45 116.97 119.65 3lll h TYR 223 Ca -0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3lll h TYR 223 Cb 0.58 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3lll h TYR 223 CO 0.00 0.55 0.09 0.52 -1.64 0.00 0.00 178.16 177.68 3lll h MET 224 N -0.73 0.61 -0.09 1.82 2.86 -0.99 -0.46 114.93 117.95 3lll h MET 224 Ca -0.01 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3lll h MET 224 Cb 0.63 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 3lll h MET 224 CO 0.01 0.65 -0.32 1.49 1.06 0.00 0.00 176.91 179.80 3lll h GLU 225 N 0.47 -0.40 -0.35 1.72 4.81 -1.39 0.21 114.58 119.65 3lll h GLU 225 Ca 0.12 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3lll h GLU 225 Cb 0.32 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3lll h GLU 225 CO 0.00 -0.27 0.17 -0.91 -0.73 0.00 0.00 179.01 177.27 3lll h ASN 226 N -0.42 0.46 0.21 1.04 2.35 -1.38 -2.25 115.58 115.60 3lll h ASN 226 Ca 0.09 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3lll h ASN 226 Cb 0.55 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 3lll h ASN 226 CO -0.33 0.46 -0.05 -0.03 -1.65 0.00 0.00 177.43 175.83 3lll h MET 227 N 0.42 0.00 -0.00 0.81 4.05 -0.70 -2.79 114.93 116.72 3lll h MET 227 Ca 0.12 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.54 3lll h MET 227 Cb 0.12 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 3lll h MET 227 CO -0.01 0.05 -0.00 1.49 0.23 0.00 0.00 176.91 178.67 3lll h GLU 228 N 0.00 0.00 -0.82 0.39 4.57 -0.01 -3.07 114.58 115.65 3lll h GLU 228 Ca -0.00 -0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 3lll h GLU 228 Cb 0.17 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.68 3lll h GLU 228 CO 0.01 0.76 0.43 1.96 -1.18 0.00 0.00 179.01 180.99 3lll h GLN 229 N -0.76 0.65 -0.13 1.92 4.20 -1.19 0.18 115.11 119.98 3lll h GLN 229 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3lll h GLN 229 Cb 0.76 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 3lll h GLN 229 CO 0.00 0.43 0.09 0.28 -0.67 0.00 0.00 178.83 178.96 3lll h VAL 230 N 0.67 1.05 -0.57 -0.54 2.07 -1.63 0.38 116.25 117.69 3lll h VAL 230 Ca 0.42 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.84 3lll h VAL 230 Cb 0.51 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3lll h VAL 230 CO -0.31 0.04 0.34 0.15 0.02 0.00 0.00 177.57 177.81 3lll h PHE 231 N 0.17 0.75 -0.41 1.57 3.04 -1.13 -2.25 116.94 118.68 3lll h PHE 231 Ca 0.05 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 3lll h PHE 231 Cb -0.00 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.24 3lll h PHE 231 CO -0.06 0.52 0.09 1.49 -2.02 0.00 0.00 178.31 178.33 3lll h GLU 232 N 0.76 0.61 0.00 1.11 4.57 -0.47 -0.18 114.58 120.98 3lll h GLU 232 Ca 0.20 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3lll h GLU 232 Cb -0.00 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3lll h GLU 232 CO -0.04 0.56 -0.02 0.37 -1.18 0.00 0.00 179.01 178.70 3lll h GLN 233 N 0.59 0.00 0.18 1.92 5.75 -0.33 0.91 115.11 124.12 3lll h GLN 233 Ca 0.14 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 58.30 3lll h GLN 233 Cb 0.23 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.79 3lll h GLN 233 CO -0.00 0.02 -1.65 0.00 -2.65 0.00 0.00 178.83 174.55 3lll h GLN 235 N 0.02 0.91 0.44 0.00 1.08 -0.08 0.27 115.11 117.74 3lll h GLN 235 Ca -0.33 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 56.80 3lll h GLN 235 Cb 2.03 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 29.26 3lll h GLN 235 CO 0.16 0.60 -0.21 1.96 -0.95 0.00 0.00 178.83 180.39 3lll h GLN 236 N 0.94 -0.56 -0.50 1.46 1.08 -0.98 -1.36 115.11 115.19 3lll h GLN 236 Ca 0.39 0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.60 3lll h GLN 236 Cb 0.28 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 3lll h GLN 236 CO -0.15 -0.29 0.22 0.35 -0.95 0.00 0.00 178.83 178.01 3lll h PHE 237 N -0.78 0.74 -0.78 2.96 3.04 -1.39 -2.70 116.94 118.03 3lll h PHE 237 Ca -0.06 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.81 3lll h PHE 237 Cb 0.54 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.79 3lll h PHE 237 CO -0.00 0.60 0.38 1.49 -2.02 0.00 0.00 178.31 178.76 3lll h GLU 238 N 0.67 1.12 -0.82 1.11 4.57 -0.54 -2.45 114.58 118.25 3lll h GLU 238 Ca 0.17 -0.17 0.14 0.00 -1.18 0.00 0.00 59.36 58.32 3lll h GLU 238 Cb 0.16 -0.20 -0.09 0.00 -0.16 0.00 0.00 28.75 28.46 3lll h GLU 238 CO -0.02 0.87 0.41 1.49 -1.18 0.00 0.00 179.01 180.58 3lll h GLU 239 N 1.10 0.58 -0.41 1.92 4.81 -0.92 -1.89 114.58 119.78 3lll h GLU 239 Ca 0.27 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.53 3lll h GLU 239 Cb 0.12 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 3lll h GLU 239 CO -0.03 0.38 0.09 0.87 -0.73 0.00 0.00 179.01 179.59 3lll h LYS 240 N 0.60 0.21 -0.21 1.92 1.57 -1.23 -0.30 116.57 119.13 3lll h LYS 240 Ca 0.44 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 3lll h LYS 240 Cb 0.61 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3lll h LYS 240 CO -0.36 0.14 0.10 -0.09 -0.57 0.00 0.00 179.45 178.67 3lll h ARG 241 N 0.22 0.31 0.27 3.15 2.43 -1.37 -0.95 114.38 118.44 3lll h ARG 241 Ca 0.20 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3lll h ARG 241 Cb 0.23 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3lll h ARG 241 CO -0.25 0.35 -0.35 -0.07 -1.51 0.00 0.00 179.97 178.13 3lll h LEU 242 N 0.21 -0.99 -1.56 3.80 3.38 -0.88 0.91 115.31 120.17 3lll h LEU 242 Ca 0.07 0.09 0.18 0.00 0.09 0.00 0.00 57.88 58.31 3lll h LEU 242 Cb 0.15 0.34 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 3lll h LEU 242 CO -0.01 -0.43 0.55 0.03 0.09 0.00 0.00 178.44 178.67 3lll h ARG 243 N -0.64 0.39 0.14 1.13 3.08 -1.09 -0.97 114.38 116.41 3lll h ARG 243 Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3lll h ARG 243 Cb 0.57 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3lll h ARG 243 CO -0.09 0.26 -0.07 0.35 -1.07 0.00 0.00 179.97 179.35 3lll h PHE 244 N 0.40 -0.17 -0.97 3.04 3.04 -0.43 -0.91 116.94 120.93 3lll h PHE 244 Ca 0.42 -0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.52 3lll h PHE 244 Cb 1.02 0.06 -0.10 0.00 2.56 0.00 0.00 35.95 39.49 3lll h PHE 244 CO -0.00 0.02 0.58 0.74 -2.02 0.00 0.00 178.31 177.63 3lll h PHE 245 N -0.33 1.03 0.06 0.41 -1.00 0.47 0.19 116.94 117.78 3lll h PHE 245 Ca -0.02 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 3lll h PHE 245 Cb 0.26 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.51 3lll h PHE 245 CO -0.02 0.29 -0.03 -0.09 -1.61 0.00 0.00 178.31 176.85 3lll h ARG 246 N 0.81 -0.08 -0.50 1.51 2.43 -1.09 0.46 114.38 117.92 3lll h ARG 246 Ca 0.53 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.78 3lll h ARG 246 Cb 0.72 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 3lll h ARG 246 CO -0.34 0.17 0.17 1.49 -1.51 0.00 0.00 179.97 179.95 3lll h GLU 247 N -0.32 0.34 0.57 0.20 4.81 -0.29 -1.33 114.58 118.57 3lll h GLU 247 Ca -0.01 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3lll h GLU 247 Cb 0.28 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.59 3lll h GLU 247 CO 0.01 0.22 -0.28 0.28 -0.73 0.00 0.00 179.01 178.52 3lll h VAL 248 N 0.35 0.00 -0.82 0.32 2.07 -0.55 -2.87 116.25 114.75 3lll h VAL 248 Ca 0.24 -0.07 0.20 0.00 0.82 0.00 0.00 66.70 67.90 3lll h VAL 248 Cb 0.27 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.90 3lll h VAL 248 CO -0.26 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.39 3lll h LEU 249 N -0.84 -0.16 -0.48 2.57 3.38 -0.85 0.30 115.31 119.24 3lll h LEU 249 Ca -0.08 0.19 0.10 0.00 0.09 0.00 0.00 57.88 58.18 3lll h LEU 249 Cb 0.59 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 41.54 3lll h LEU 249 CO 0.13 -0.16 -0.15 -0.07 0.09 0.00 0.00 178.44 178.28 3lll h LEU 250 N 0.17 -0.53 -0.49 1.67 3.38 -1.23 0.31 115.31 118.59 3lll h LEU 250 Ca 0.48 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.58 3lll h LEU 250 Cb 0.91 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3lll h LEU 250 CO -0.65 -0.19 0.20 -0.33 0.09 0.00 0.00 178.44 177.56 3lll h GLU 251 N -0.03 0.74 -0.43 1.13 5.08 -0.28 -2.46 114.58 118.32 3lll h GLU 251 Ca 0.23 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3lll h GLU 251 Cb 0.39 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3lll h GLU 251 CO -0.52 0.66 0.15 0.28 -1.00 0.00 0.00 179.01 178.58 3lll h VAL 252 N 0.66 0.86 -0.76 3.13 2.07 0.35 0.12 116.25 122.68 3lll h VAL 252 Ca 0.16 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.68 3lll h VAL 252 Cb 0.20 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3lll h VAL 252 CO -0.01 0.06 0.50 -0.61 0.02 0.00 0.00 177.57 177.52 3lll h GLN 253 N 0.31 0.61 0.00 1.57 -0.00 -0.23 0.06 115.11 117.43 3lll h GLN 253 Ca 0.20 -0.04 -0.11 0.00 -0.00 0.00 0.00 58.65 58.71 3lll h GLN 253 Cb 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.53 3lll h GLN 253 CO -0.21 0.40 -0.51 -0.22 0.00 0.00 0.00 178.83 178.29 3lll h LYS 254 N 0.63 0.00 0.00 1.69 3.64 -0.56 -2.02 116.57 119.95 3lll h LYS 254 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3lll h LYS 254 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3lll h LYS 254 CO -0.13 0.51 -0.23 0.72 -2.27 0.00 0.00 179.45 178.05 3lll n HIS 255 N -3.40 0.22 -0.03 1.91 8.25 0.24 -3.47 115.22 118.94 3lll n HIS 255 Ca 0.01 0.06 0.06 0.00 -0.26 0.00 0.00 57.72 57.59 3lll n HIS 255 Cb 0.65 -0.52 -0.15 0.00 1.12 0.00 0.00 29.99 31.10 3lll n HIS 255 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3lll n LEU 256 N -1.70 0.00 -4.62 2.41 4.77 -0.56 -4.70 117.00 112.60 3lll n LEU 256 Ca 0.06 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 3lll n LEU 256 Cb 0.37 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3lll n LEU 256 CO 0.31 0.10 1.13 -0.62 -1.33 0.00 0.00 177.39 176.98 3lll s ASP 257 N -4.49 6.62 0.00 -1.43 2.15 -0.77 -4.85 116.67 113.89 3lll s ASP 257 Ca -0.08 1.02 0.18 0.00 0.43 0.00 0.00 52.55 54.10 3lll s ASP 257 Cb 0.11 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.62 3lll s ASP 257 CO 0.81 -1.16 1.35 0.18 -0.17 0.00 0.00 175.17 176.18 3lll n LEU 258 N 7.85 3.32 0.29 -1.34 4.77 -1.26 -4.63 117.00 125.99 3lll n LEU 258 Ca 0.15 -1.80 -0.14 0.00 -0.03 0.00 0.00 56.01 54.19 3lll n LEU 258 Cb 0.47 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3lll n LEU 258 CO 0.65 0.79 0.44 0.77 -1.33 0.00 0.00 177.39 178.72 3lll h SER 259 N 3.38 -0.64 -0.74 -1.43 4.64 -1.98 -3.22 113.55 113.55 3lll h SER 259 Ca 0.00 -0.04 -0.41 0.00 -0.47 0.00 0.00 61.79 60.87 3lll h SER 259 Cb 0.86 0.17 -0.16 0.00 -0.31 0.00 0.00 62.40 62.95 3lll h SER 259 CO 0.00 -0.27 0.42 0.59 -0.87 0.00 0.00 176.83 176.70 3lll n ASN 260 N -5.31 6.53 -4.43 4.97 4.13 -1.26 -4.87 115.26 115.01 3lll n ASN 260 Ca -0.11 -3.16 -0.37 0.00 1.68 0.00 0.00 54.58 52.63 3lll n ASN 260 Cb 0.33 -1.13 -0.13 0.00 -1.54 0.00 0.00 39.78 37.32 3lll n ASN 260 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3lll s VAL 261 N -2.37 4.25 0.22 2.41 1.01 -1.22 -4.99 120.40 119.71 3lll s VAL 261 Ca 0.45 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 3lll s VAL 261 Cb 0.32 -3.02 0.17 0.00 0.00 0.00 0.00 36.38 33.84 3lll s VAL 261 CO -0.10 0.29 1.82 0.00 0.00 0.00 0.00 175.10 177.12 3lll h ALA 262 N 8.24 1.00 -0.24 5.51 0.00 -1.91 -2.35 119.26 129.51 3lll h ALA 262 Ca -0.37 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3lll h ALA 262 Cb 1.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3lll h ALA 262 CO 0.59 0.12 -0.15 0.77 0.00 0.00 0.00 179.25 180.57 3lll h SER 263 N 0.77 0.39 0.46 0.00 0.02 -1.97 -2.96 113.55 110.27 3lll h SER 263 Ca 0.33 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3lll h SER 263 Cb 0.20 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3lll h SER 263 CO -0.18 0.57 -0.22 0.22 -1.14 0.00 0.00 176.83 176.07 3lll h TYR 264 N 0.37 -0.58 -0.79 3.45 3.20 -1.74 -2.24 116.97 118.65 3lll h TYR 264 Ca 0.07 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.98 3lll h TYR 264 Cb 0.49 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 3lll h TYR 264 CO 0.01 -0.26 0.52 0.87 -1.64 0.00 0.00 178.16 177.66 3lll h LYS 265 N -0.88 0.86 -0.32 1.82 1.57 -1.60 -2.22 116.57 115.80 3lll h LYS 265 Ca -0.06 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3lll h LYS 265 Cb 0.58 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 3lll h LYS 265 CO 0.10 0.57 0.15 1.15 -0.57 0.00 0.00 179.45 180.85 3lll h THR 266 N 0.89 0.97 -0.88 -0.16 2.02 -1.41 -2.11 112.91 112.22 3lll h THR 266 Ca 0.33 -0.11 0.23 0.00 0.77 0.00 0.00 66.41 67.63 3lll h THR 266 Cb 0.17 0.63 -0.16 0.00 -1.74 0.00 0.00 68.15 67.06 3lll h THR 266 CO -0.11 0.06 0.08 0.40 0.37 0.00 0.00 175.52 176.32 3lll h ILE 267 N 0.31 0.20 0.12 3.11 2.04 -0.77 0.10 117.51 122.63 3lll h ILE 267 Ca 0.14 -0.03 -0.31 0.00 1.00 0.00 0.00 64.86 65.65 3lll h ILE 267 Cb 0.06 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 3lll h ILE 267 CO -0.11 0.02 -1.59 1.88 0.00 0.00 0.00 178.15 178.35 3lll h TYR 268 N 0.09 0.46 0.00 1.37 0.05 -1.57 -1.16 116.97 116.21 3lll h TYR 268 Ca 0.53 -0.34 -0.01 0.00 0.05 0.00 0.00 58.73 58.97 3lll h TYR 268 Cb 1.04 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.76 3lll h TYR 268 CO -0.41 1.42 -0.02 0.00 -1.05 0.00 0.00 178.16 178.10 3lll h ARG 269 N 0.07 0.00 0.13 4.88 3.08 -0.70 0.89 114.38 122.73 3lll h ARG 269 Ca -0.27 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.42 3lll h ARG 269 Cb 2.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.06 3lll h ARG 269 CO 0.15 0.02 -1.95 1.49 -1.07 0.00 0.00 179.97 178.62 3lll h GLU 270 N 0.00 0.27 0.48 0.04 4.81 -0.77 -3.12 114.58 116.29 3lll h GLU 270 Ca -0.00 -0.46 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 3lll h GLU 270 Cb 0.17 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3lll h GLU 270 CO 0.00 1.20 -0.25 1.25 -0.73 0.00 0.00 179.01 180.48 3lll h LEU 271 N 0.07 -0.60 -0.35 1.64 5.85 -0.81 -1.83 115.31 119.29 3lll h LEU 271 Ca -0.41 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.42 3lll h LEU 271 Cb 2.04 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 43.16 3lll h LEU 271 CO 0.10 -0.41 -0.17 -0.08 -0.34 0.00 0.00 178.44 177.54 3lll h GLU 272 N -0.67 -0.10 -0.13 1.25 4.81 -0.99 0.12 114.58 118.87 3lll h GLU 272 Ca -0.06 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3lll h GLU 272 Cb 0.52 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3lll h GLU 272 CO 0.09 -0.07 0.01 -0.56 -0.73 0.00 0.00 179.01 177.76 3lll h GLN 273 N -0.11 0.17 -0.16 1.92 3.07 -1.51 -1.22 115.11 117.28 3lll h GLN 273 Ca 0.18 -0.02 -0.14 0.00 0.09 0.00 0.00 58.65 58.76 3lll h GLN 273 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.89 3lll h GLN 273 CO -0.42 0.18 -0.50 0.77 0.09 0.00 0.00 178.83 178.96 3lll h SER 274 N 0.18 0.45 0.39 0.06 0.02 -0.14 -2.80 113.55 111.72 3lll h SER 274 Ca 0.04 -0.23 -0.20 0.00 -0.84 0.00 0.00 61.79 60.57 3lll h SER 274 Cb 0.10 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 3lll h SER 274 CO 0.00 0.88 -0.84 0.40 -1.14 0.00 0.00 176.83 176.13 3lll h ILE 275 N 0.33 1.42 0.00 3.27 2.04 -0.17 -3.03 117.51 121.37 3lll h ILE 275 Ca 0.01 -2.38 -0.02 0.00 1.00 0.00 0.00 64.86 63.48 3lll h ILE 275 Cb 0.99 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 39.38 3lll h ILE 275 CO 0.09 0.71 -0.07 0.11 0.00 0.00 0.00 178.15 178.98 3lll h LYS 276 N 0.20 0.00 0.00 2.37 1.57 -1.18 -2.04 116.57 117.49 3lll h LYS 276 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3lll h LYS 276 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.75 3lll h LYS 276 CO 0.14 0.07 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 3lll n ALA 277 N -2.15 2.51 -2.21 3.86 0.00 -1.06 -4.61 120.51 116.85 3lll n ALA 277 Ca -0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 3lll n ALA 277 Cb 0.29 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 3lll n ALA 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lll s ALA 278 N -2.41 2.12 -0.28 0.00 0.00 -0.77 -4.94 121.76 115.48 3lll s ALA 278 Ca 0.33 -2.09 -0.29 0.00 0.00 0.00 0.00 51.96 49.91 3lll s ALA 278 Cb 0.20 -4.62 0.01 0.00 0.00 0.00 0.00 23.12 18.71 3lll s ALA 278 CO 0.43 -4.59 1.17 0.34 0.00 0.00 0.00 175.76 173.11 3lll s ASP 279 N 6.41 6.87 0.11 0.00 3.68 -1.26 -4.84 116.67 127.65 3lll s ASP 279 Ca 0.64 1.23 -0.13 0.00 2.13 0.00 0.00 52.55 56.42 3lll s ASP 279 Cb -0.02 -2.54 -0.09 0.00 -1.45 0.00 0.00 42.92 38.82 3lll s ASP 279 CO 0.05 -0.90 1.40 0.00 0.13 0.00 0.00 175.17 175.85 3lll h ALA 280 N 8.40 0.44 -0.76 3.66 0.00 -1.97 -3.10 119.26 125.93 3lll h ALA 280 Ca -0.23 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 3lll h ALA 280 Cb 1.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3lll h ALA 280 CO 1.02 0.61 0.35 0.28 0.00 0.00 0.00 179.25 181.50 3lll h VAL 281 N 0.59 1.24 -0.11 0.00 2.07 -2.00 -2.54 116.25 115.50 3lll h VAL 281 Ca 0.02 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.86 3lll h VAL 281 Cb 1.09 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3lll h VAL 281 CO 0.11 0.30 -0.09 -0.08 0.02 0.00 0.00 177.57 177.82 3lll h GLU 282 N 1.08 -0.11 -0.63 1.57 4.22 -1.95 -0.96 114.58 117.80 3lll h GLU 282 Ca 0.26 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.69 3lll h GLU 282 Cb 0.14 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3lll h GLU 282 CO -0.03 -0.07 0.32 -0.44 -2.18 0.00 0.00 179.01 176.61 3lll h ASP 283 N -0.11 0.82 0.44 1.04 5.19 -1.46 -2.98 116.42 119.37 3lll h ASP 283 Ca 0.08 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 3lll h ASP 283 Cb 0.22 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3lll h ASP 283 CO -0.18 0.70 -0.21 -0.07 -3.12 0.00 0.00 179.24 176.36 3lll h LEU 284 N 0.87 -0.50 -1.07 1.55 3.38 -1.05 -2.56 115.31 115.93 3lll h LEU 284 Ca 0.22 -0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.45 3lll h LEU 284 Cb 0.09 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 40.85 3lll h LEU 284 CO -0.03 -0.33 0.61 0.03 0.09 0.00 0.00 178.44 178.81 3lll h ARG 285 N -0.64 0.48 -0.21 1.13 2.47 -1.17 -1.05 114.38 115.39 3lll h ARG 285 Ca -0.06 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.60 3lll h ARG 285 Cb 0.48 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 3lll h ARG 285 CO 0.10 0.32 0.01 2.35 0.56 0.00 0.00 179.97 183.31 3lll h TRP 286 N 0.49 0.38 -0.34 3.04 7.01 -1.32 -3.21 115.95 122.01 3lll h TRP 286 Ca 0.66 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.57 3lll h TRP 286 Cb 1.39 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.34 3lll h TRP 286 CO -0.01 0.52 0.09 0.35 -2.79 0.00 0.00 178.44 176.61 3lll h PHE 287 N 0.13 0.57 -0.05 2.65 3.04 -0.81 -2.16 116.94 120.31 3lll h PHE 287 Ca 0.06 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 3lll h PHE 287 Cb 0.36 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.71 3lll h PHE 287 CO 0.03 0.57 -0.01 0.07 -2.02 0.00 0.00 178.31 176.95 3lll h ARG 288 N 0.40 0.06 -0.01 1.11 0.11 -1.53 0.30 114.38 114.82 3lll h ARG 288 Ca 0.11 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.18 3lll h ARG 288 Cb 0.28 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.35 3lll h ARG 288 CO -0.00 0.08 -0.31 0.00 0.10 0.00 0.00 179.97 179.84 3lll n ALA 289 N -2.53 3.21 0.03 0.08 0.00 -1.08 0.44 120.51 120.66 3lll n ALA 289 Ca -0.02 -0.50 0.02 0.00 0.00 0.00 0.00 53.44 52.93 3lll n ALA 289 Cb 0.12 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 3lll n ALA 289 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3lll n ASN 290 N -0.32 3.49 0.00 0.00 5.03 -0.52 -3.74 115.26 119.19 3lll n ASN 290 Ca 0.12 -0.11 0.00 0.00 0.87 0.00 0.00 54.58 55.46 3lll n ASN 290 Cb 0.40 1.12 0.00 0.00 -1.02 0.00 0.00 39.78 40.27 3lll n ASN 290 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3lll n HIS 291 N -1.50 0.00 -2.46 3.10 8.25 0.95 -4.93 115.22 118.62 3lll n HIS 291 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3lll n HIS 291 Cb 0.07 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3lll n HIS 291 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lll n GLY 292 N 0.00 6.28 0.14 -1.41 0.00 -0.82 -4.97 105.19 104.41 3lll n GLY 292 Ca 0.00 -1.92 0.09 0.00 0.00 0.00 0.00 46.02 44.19 3lll n GLY 292 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lll n PRO 293 N 0.00 0.12 0.16 1.61 -0.02 -1.11 -1.47 135.00 134.28 3lll n PRO 293 Ca 0.00 0.62 0.01 0.00 -2.02 0.00 0.00 63.50 62.10 3lll n PRO 293 Cb 0.00 -1.92 0.26 0.00 -0.02 0.00 0.00 33.50 31.82 3lll n PRO 293 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3lll h GLY 294 N 0.00 0.00 -3.48 -1.23 0.00 -0.30 -3.45 103.07 94.61 3lll h GLY 294 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3lll h GLY 294 CO 0.00 0.00 0.50 1.03 0.00 0.00 0.00 176.54 178.07 3lll n MET 295 N -3.92 1.86 -1.07 4.80 2.81 -0.54 -4.83 117.12 116.22 3lll n MET 295 Ca -0.01 0.67 -0.30 0.00 -1.81 0.00 0.00 57.70 56.24 3lll n MET 295 Cb 0.52 -2.42 0.25 0.00 -0.71 0.00 0.00 33.22 30.86 3lll n MET 295 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3lll s ALA 296 N -1.23 0.58 -0.19 3.04 0.00 -1.26 -5.04 121.76 117.65 3lll s ALA 296 Ca 0.63 -1.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 3lll s ALA 296 Cb -0.48 -2.86 0.11 0.00 0.00 0.00 0.00 23.12 19.88 3lll s ALA 296 CO 0.56 -3.67 0.91 1.41 0.00 0.00 0.00 175.76 174.98 3lll s MET 297 N -5.45 0.69 -1.19 0.00 0.00 -1.26 -5.08 119.30 107.00 3lll s MET 297 Ca 0.71 0.43 -0.11 0.00 0.00 0.00 0.00 55.69 56.73 3lll s MET 297 Cb -0.09 0.33 0.21 0.00 0.00 0.00 0.00 34.83 35.28 3lll s MET 297 CO 0.56 -0.16 1.44 0.09 0.00 0.00 0.00 175.02 176.94 3lll n ASN 298 N 1.52 5.38 -4.68 1.11 5.03 -1.26 -5.01 115.26 117.34 3lll n ASN 298 Ca -0.13 -3.05 -0.49 0.00 0.87 0.00 0.00 54.58 51.77 3lll n ASN 298 Cb 0.57 -1.48 -0.05 0.00 -1.02 0.00 0.00 39.78 37.79 3lll n ASN 298 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 3lll n TRP 299 N 4.27 2.24 -1.47 3.10 7.02 -1.26 -4.82 117.44 126.53 3lll n TRP 299 Ca 0.33 0.15 -0.50 0.00 -1.02 0.00 0.00 57.50 56.47 3lll n TRP 299 Cb 0.40 -2.60 -0.04 0.00 -2.42 0.00 0.00 31.31 26.65 3lll n TRP 299 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 3lll n PRO 300 N 5.64 0.32 -1.66 -0.99 -0.02 -1.26 -5.00 135.00 132.04 3lll n PRO 300 Ca 0.22 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3lll n PRO 300 Cb 0.26 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 3lll n PRO 300 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3lll n GLN 301 N 1.18 0.22 -2.99 -0.52 6.02 -1.26 -5.14 117.38 114.89 3lll n GLN 301 Ca 0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.76 3lll n GLN 301 Cb 0.22 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.43 3lll n GLN 301 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3lll s PHE 302 N -1.72 3.80 0.00 1.08 5.36 -1.26 -5.31 117.98 119.93 3lll s PHE 302 Ca 0.00 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 3lll s PHE 302 Cb 0.00 -2.79 0.00 0.00 -0.34 0.00 0.00 43.02 39.89 3lll s PHE 302 CO 0.00 0.37 0.40 0.39 -1.46 0.00 0.00 175.22 174.93