#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npe s ALA 3 N 0.00 3.42 -0.04 0.55 0.00 -1.26 -5.04 121.76 119.39 2npe s ALA 3 Ca 0.00 0.94 0.06 0.00 0.00 0.00 0.00 51.96 52.96 2npe s ALA 3 Cb 0.00 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 2npe s ALA 3 CO 0.00 -0.26 -0.22 0.08 0.00 0.00 0.00 175.76 175.36 2npe s VAL 4 N -0.85 1.78 0.16 0.00 1.01 -1.26 -4.78 120.40 116.46 2npe s VAL 4 Ca 0.47 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 2npe s VAL 4 Cb -0.33 -1.51 -0.07 0.00 0.00 0.00 0.00 36.38 34.47 2npe s VAL 4 CO 0.41 0.50 1.13 0.00 0.00 0.00 0.00 175.10 177.14 2npe s ALA 5 N -0.20 3.38 -0.33 5.51 0.00 -1.26 -4.75 121.76 124.11 2npe s ALA 5 Ca -0.00 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 52.65 2npe s ALA 5 Cb -0.12 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2npe s ALA 5 CO 0.02 -0.28 0.31 0.34 0.00 0.00 0.00 175.76 176.15 2npe s ASP 6 N 0.15 6.13 0.38 0.00 -1.08 0.14 -4.96 116.67 117.43 2npe s ASP 6 Ca 0.52 -0.26 0.17 0.00 -0.52 0.00 0.00 52.55 52.46 2npe s ASP 6 Cb -0.30 -2.17 1.06 0.00 -1.46 0.00 0.00 42.92 40.05 2npe s ASP 6 CO 0.34 -0.27 1.75 0.11 0.52 0.00 0.00 175.17 177.62 2npe h LYS 7 N 8.45 0.41 -0.22 4.34 1.57 -1.95 0.28 116.57 129.45 2npe h LYS 7 Ca -0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2npe h LYS 7 Cb 1.15 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 2npe h LYS 7 CO 0.66 0.27 0.14 0.00 -0.57 0.00 0.00 179.45 179.96 2npe h ALA 8 N 1.65 0.28 -0.24 3.86 0.00 -1.95 0.26 119.26 123.12 2npe h ALA 8 Ca 0.62 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.39 2npe h ALA 8 Cb 1.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2npe h ALA 8 CO -0.35 -0.25 -0.37 -0.44 0.00 0.00 0.00 179.25 177.84 2npe h ASP 9 N 0.30 0.55 -0.43 0.00 3.32 -0.84 -0.01 116.42 119.31 2npe h ASP 9 Ca 0.08 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 56.93 2npe h ASP 9 Cb -0.03 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 2npe h ASP 9 CO -0.02 0.87 0.22 0.78 -1.72 0.00 0.00 179.24 179.37 2npe h ASN 10 N 0.44 0.32 -0.40 6.45 2.35 -0.67 0.30 115.58 124.38 2npe h ASN 10 Ca 0.05 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2npe h ASN 10 Cb 0.85 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 2npe h ASN 10 CO 0.07 0.23 0.10 0.00 -1.65 0.00 0.00 177.43 176.17 2npe h ALA 11 N 1.22 0.52 -0.39 -0.83 0.00 0.08 -1.45 119.26 118.41 2npe h ALA 11 Ca 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2npe h ALA 11 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2npe h ALA 11 CO -0.13 0.20 0.14 0.35 0.00 0.00 0.00 179.25 179.81 2npe h PHE 12 N 0.50 0.62 -0.23 0.00 3.57 -0.66 -2.25 116.94 118.49 2npe h PHE 12 Ca 0.12 -0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 2npe h PHE 12 Cb 0.31 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2npe h PHE 12 CO 0.02 0.57 -0.50 0.52 -2.23 0.00 0.00 178.31 176.69 2npe h MET 13 N 0.49 0.63 -0.42 1.11 2.86 -0.72 0.37 114.93 119.26 2npe h MET 13 Ca 0.13 -0.37 -0.14 0.00 -2.06 0.00 0.00 59.70 57.26 2npe h MET 13 Cb 0.23 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2npe h MET 13 CO -0.01 0.98 -0.29 0.52 1.06 0.00 0.00 176.91 179.18 2npe h MET 14 N 0.50 0.91 -0.37 1.72 2.86 -1.19 -0.28 114.93 119.08 2npe h MET 14 Ca 0.02 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.22 2npe h MET 14 Cb 1.04 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 2npe h MET 14 CO 0.10 1.07 0.13 0.82 1.06 0.00 0.00 176.91 180.10 2npe h ILE 15 N 0.77 1.20 -0.78 -1.22 1.08 -1.15 -1.39 117.51 116.02 2npe h ILE 15 Ca 0.09 -0.63 0.05 0.00 -0.39 0.00 0.00 64.86 63.98 2npe h ILE 15 Cb 0.86 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 35.48 2npe h ILE 15 CO 0.08 0.22 0.51 0.00 -0.69 0.00 0.00 178.15 178.27 2npe h THR 17 N 0.91 1.25 -0.64 0.00 2.02 -0.75 -2.02 112.91 113.67 2npe h THR 17 Ca 0.32 -0.88 0.11 0.00 0.77 0.00 0.00 66.41 66.73 2npe h THR 17 Cb 0.13 1.20 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 2npe h THR 17 CO -0.10 0.29 0.20 0.00 0.37 0.00 0.00 175.52 176.28 2npe h ALA 18 N 0.87 0.81 -0.26 6.16 0.00 -0.56 -0.05 119.26 126.24 2npe h ALA 18 Ca 0.09 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2npe h ALA 18 Cb 0.39 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2npe h ALA 18 CO 0.01 -0.24 -0.03 -0.07 0.00 0.00 0.00 179.25 178.92 2npe h LEU 19 N 0.35 0.37 0.06 0.00 3.38 -1.09 -1.74 115.31 116.65 2npe h LEU 19 Ca 0.33 -0.06 -0.28 0.00 0.09 0.00 0.00 57.88 57.96 2npe h LEU 19 Cb 0.47 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 41.15 2npe h LEU 19 CO -0.37 0.45 -1.13 0.58 0.09 0.00 0.00 178.44 178.06 2npe h VAL 20 N 0.38 1.28 -0.96 1.22 2.07 -0.51 -2.62 116.25 117.11 2npe h VAL 20 Ca 0.08 -2.35 0.21 0.00 0.82 0.00 0.00 66.70 65.46 2npe h VAL 20 Cb 0.30 2.55 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 2npe h VAL 20 CO 0.01 0.72 0.62 -0.07 0.02 0.00 0.00 177.57 178.87 2npe h LEU 21 N 0.32 0.54 -0.85 2.57 3.38 -0.80 -1.00 115.31 119.47 2npe h LEU 21 Ca -0.16 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2npe h LEU 21 Cb 1.80 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 2npe h LEU 21 CO 0.22 0.20 -0.57 0.15 0.09 0.00 0.00 178.44 178.53 2npe h PHE 22 N 0.53 0.00 -0.72 1.13 3.57 -1.05 0.38 116.94 120.79 2npe h PHE 22 Ca 0.52 0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.09 2npe h PHE 22 Cb 1.13 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 2npe h PHE 22 CO -0.00 0.57 0.47 0.52 -2.23 0.00 0.00 178.31 177.63 2npe h MET 23 N 0.00 0.73 0.00 1.11 2.86 -0.82 -2.14 114.93 116.67 2npe h MET 23 Ca -0.01 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.45 2npe h MET 23 Cb 1.02 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 2npe h MET 23 CO 0.07 0.48 -0.76 1.15 1.06 0.00 0.00 176.91 178.92 2npe h THR 24 N 0.75 1.21 -3.51 2.22 2.02 -1.28 0.42 112.91 114.74 2npe h THR 24 Ca 0.31 -2.20 -0.69 0.00 0.77 0.00 0.00 66.41 64.60 2npe h THR 24 Cb 0.25 2.57 -0.34 0.00 -1.74 0.00 0.00 68.15 68.88 2npe h THR 24 CO -0.10 0.41 -0.56 -0.63 0.37 0.00 0.00 175.52 175.01 2npe s ILE 25 N -2.29 3.27 -1.75 3.11 -1.09 0.03 -2.91 121.20 119.56 2npe s ILE 25 Ca -0.24 -2.01 0.18 0.00 -2.23 0.00 0.00 60.65 56.35 2npe s ILE 25 Cb 0.02 -3.22 0.42 0.00 -1.58 0.00 0.00 42.46 38.11 2npe s ILE 25 CO 0.61 -0.65 1.34 -0.81 -1.23 0.00 0.00 174.94 174.20 2npe n PRO 26 N 4.59 2.49 -0.11 2.79 -0.04 -1.18 -3.96 135.00 139.59 2npe n PRO 26 Ca -0.03 -2.22 -0.10 0.00 -0.04 0.00 0.00 63.50 61.11 2npe n PRO 26 Cb 0.42 -1.43 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 2npe n PRO 26 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2npe h GLY 27 N 3.46 -1.27 2.00 0.55 0.00 -1.26 0.18 103.07 106.73 2npe h GLY 27 Ca 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 47.33 48.03 2npe h GLY 27 CO 0.00 -0.28 -0.24 1.19 0.00 0.00 0.00 176.54 177.20 2npe h ILE 28 N -0.29 0.43 -0.28 2.60 6.09 -0.11 -1.62 117.51 124.33 2npe h ILE 28 Ca 0.05 -1.53 -0.09 0.00 -1.37 0.00 0.00 64.86 61.92 2npe h ILE 28 Cb 0.43 2.14 -0.01 0.00 0.47 0.00 0.00 36.82 39.85 2npe h ILE 28 CO -0.44 0.24 -0.23 0.00 -3.07 0.00 0.00 178.15 174.65 2npe h ALA 29 N 1.76 1.10 0.03 0.18 0.00 -1.21 -1.88 119.26 119.24 2npe h ALA 29 Ca -0.00 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.31 2npe h ALA 29 Cb 1.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2npe h ALA 29 CO 0.03 0.56 -1.38 -0.07 0.00 0.00 0.00 179.25 178.39 2npe h LEU 30 N 0.46 0.10 0.44 0.00 3.38 -0.37 -1.72 115.31 117.60 2npe h LEU 30 Ca 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2npe h LEU 30 Cb 0.65 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2npe h LEU 30 CO 0.05 1.12 -0.25 0.15 0.09 0.00 0.00 178.44 179.60 2npe h PHE 31 N 0.02 -0.64 -0.64 1.13 3.57 -1.10 -2.66 116.94 116.62 2npe h PHE 31 Ca -0.16 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.26 2npe h PHE 31 Cb 1.92 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 40.85 2npe h PHE 31 CO 0.02 -0.39 0.12 1.88 -2.23 0.00 0.00 178.31 177.71 2npe h TYR 32 N -0.64 1.08 -0.12 0.41 0.05 -1.46 -2.99 116.97 113.30 2npe h TYR 32 Ca -0.05 -0.13 0.03 0.00 0.05 0.00 0.00 58.73 58.63 2npe h TYR 32 Cb 0.51 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 2npe h TYR 32 CO -0.07 0.90 0.10 0.78 -1.05 0.00 0.00 178.16 178.82 2npe h GLY 33 N 1.04 0.00 1.01 3.88 0.00 -1.14 0.10 103.07 107.96 2npe h GLY 33 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2npe h GLY 33 CO 0.01 0.00 -0.63 0.61 0.00 0.00 0.00 176.54 176.53 2npe n GLY 34 N -1.45 -1.31 0.10 4.60 0.00 -1.02 -4.30 105.19 101.81 2npe n GLY 34 Ca -0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 2npe n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2npe h LEU 35 N 0.00 0.01-10.39 0.99 3.38 -0.87 -1.15 115.31 107.27 2npe h LEU 35 Ca 0.00 -0.54 -0.45 0.00 0.09 0.00 0.00 57.88 56.98 2npe h LEU 35 Cb 0.63 -0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.53 2npe h LEU 35 CO 0.00 1.47 0.22 0.27 0.09 0.00 0.00 178.44 180.49 2npe s ILE 36 N -2.36 2.03 0.34 1.22 -4.36 0.13 -4.21 121.20 113.99 2npe s ILE 36 Ca -0.28 0.01 -0.29 0.00 -0.26 0.00 0.00 60.65 59.83 2npe s ILE 36 Cb 0.05 -2.57 -0.11 0.00 1.25 0.00 0.00 42.46 41.09 2npe s ILE 36 CO 0.60 -0.01 1.44 -0.60 0.24 0.00 0.00 174.94 176.60 2npe s ARG 37 N -5.05 4.21 0.39 0.37 6.06 -1.26 -4.40 118.95 119.26 2npe s ARG 37 Ca 0.65 2.43 0.13 0.00 -2.50 0.00 0.00 55.73 56.44 2npe s ARG 37 Cb -0.18 -3.02 0.94 0.00 0.06 0.00 0.00 34.95 32.75 2npe s ARG 37 CO 0.56 -0.43 1.87 0.78 -2.50 0.00 0.00 175.30 175.59 2npe h GLY 38 N 3.60 1.03 1.91 8.12 0.00 -1.92 -0.39 103.07 115.41 2npe h GLY 38 Ca -0.49 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.59 2npe h GLY 38 CO 0.68 0.05 0.00 0.58 0.00 0.00 0.00 176.54 177.85 2npe n LYS 39 N -4.54 0.07 -0.10 4.80 2.85 -1.26 -2.78 118.16 117.20 2npe n LYS 39 Ca 0.18 0.11 0.07 0.00 -1.05 0.00 0.00 58.31 57.62 2npe n LYS 39 Cb 0.55 -1.50 0.12 0.00 -0.65 0.00 0.00 35.03 33.55 2npe n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2npe n ASN 40 N -1.45 2.66 0.12 -5.58 3.02 -0.16 -4.75 115.26 109.12 2npe n ASN 40 Ca 0.06 -1.78 -0.12 0.00 -0.03 0.00 0.00 54.58 52.71 2npe n ASN 40 Cb 0.24 -0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.20 2npe n ASN 40 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2npe h VAL 41 N 2.81 0.71 -0.95 2.41 2.07 -1.51 -1.74 116.25 120.05 2npe h VAL 41 Ca 0.00 -0.78 0.19 0.00 0.82 0.00 0.00 66.70 66.92 2npe h VAL 41 Cb 0.70 1.10 -0.11 0.00 -1.52 0.00 0.00 31.29 31.46 2npe h VAL 41 CO 0.00 0.15 0.54 -0.07 0.02 0.00 0.00 177.57 178.20 2npe h LEU 42 N -0.81 0.65 -0.33 2.57 3.38 -1.85 0.13 115.31 119.04 2npe h LEU 42 Ca -0.04 0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 2npe h LEU 42 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2npe h LEU 42 CO 0.06 0.21 -0.45 -1.28 0.09 0.00 0.00 178.44 177.06 2npe h SER 43 N 0.66 0.97 -0.12 -0.43 0.87 -1.87 -1.39 113.55 112.24 2npe h SER 43 Ca 0.55 -0.50 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2npe h SER 43 Cb 0.89 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 2npe h SER 43 CO -0.41 1.28 0.05 -0.03 -0.53 0.00 0.00 176.83 177.20 2npe h MET 44 N 0.69 0.18 -0.59 2.24 1.85 -0.21 -0.81 114.93 118.28 2npe h MET 44 Ca 0.04 -0.03 0.03 0.00 -0.61 0.00 0.00 59.70 59.13 2npe h MET 44 Cb 1.05 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 33.01 2npe h MET 44 CO 0.11 0.27 0.35 -0.07 -0.40 0.00 0.00 176.91 177.16 2npe h LEU 45 N 0.05 0.55 -0.11 3.39 3.38 -0.71 0.21 115.31 122.08 2npe h LEU 45 Ca 0.04 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2npe h LEU 45 Cb 0.15 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2npe h LEU 45 CO -0.00 0.38 -0.10 0.74 0.09 0.00 0.00 178.44 179.55 2npe h THR 46 N 0.68 0.72 -0.58 0.22 2.02 -1.14 -1.53 112.91 113.30 2npe h THR 46 Ca 0.25 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.39 2npe h THR 46 Cb 0.07 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2npe h THR 46 CO -0.12 0.00 0.22 1.56 0.37 0.00 0.00 175.52 177.55 2npe h GLN 47 N -0.12 0.84 -0.22 6.66 4.20 -0.39 0.26 115.11 126.34 2npe h GLN 47 Ca 0.08 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 2npe h GLN 47 Cb 0.23 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2npe h GLN 47 CO -0.18 0.69 -0.50 0.28 -0.67 0.00 0.00 178.83 178.45 2npe h VAL 48 N 0.83 1.31 0.14 -0.54 2.07 -0.42 -2.42 116.25 117.22 2npe h VAL 48 Ca 0.20 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 2npe h VAL 48 Cb 0.17 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2npe h VAL 48 CO -0.02 0.54 -0.07 0.74 0.02 0.00 0.00 177.57 178.78 2npe h THR 49 N 0.47 1.00 -0.54 2.57 2.02 -0.95 -1.07 112.91 116.40 2npe h THR 49 Ca 0.02 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 2npe h THR 49 Cb 1.04 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 2npe h THR 49 CO 0.10 0.16 0.19 0.58 0.37 0.00 0.00 175.52 176.92 2npe h VAL 50 N -0.52 1.23 -0.16 3.16 2.07 -0.98 -1.46 116.25 119.59 2npe h VAL 50 Ca -0.02 -0.73 -0.14 0.00 0.82 0.00 0.00 66.70 66.63 2npe h VAL 50 Cb 0.41 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2npe h VAL 50 CO 0.03 0.28 -0.49 0.71 0.02 0.00 0.00 177.57 178.12 2npe h THR 51 N 0.74 1.33 -0.49 2.57 1.35 -1.51 -0.72 112.91 116.17 2npe h THR 51 Ca 0.18 -1.72 0.08 0.00 -0.55 0.00 0.00 66.41 64.40 2npe h THR 51 Cb 0.24 1.74 -0.06 0.00 -1.73 0.00 0.00 68.15 68.33 2npe h THR 51 CO -0.01 0.53 0.13 0.15 -0.25 0.00 0.00 175.52 176.06 2npe h PHE 52 N 0.35 0.21 0.61 4.73 3.57 -0.86 0.58 116.94 126.14 2npe h PHE 52 Ca 0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2npe h PHE 52 Cb 0.99 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 2npe h PHE 52 CO 0.03 0.03 -0.38 0.00 -2.23 0.00 0.00 178.31 175.77 2npe h ALA 53 N 1.37 -0.95 -0.95 2.41 0.00 -0.90 -0.62 119.26 119.60 2npe h ALA 53 Ca 0.24 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.26 2npe h ALA 53 Cb 0.31 0.46 -0.15 0.00 0.00 0.00 0.00 17.79 18.41 2npe h ALA 53 CO -0.29 -1.05 0.42 1.25 0.00 0.00 0.00 179.25 179.57 2npe h LEU 54 N -0.93 0.27 -0.26 0.00 5.85 -0.87 -0.23 115.31 119.13 2npe h LEU 54 Ca -0.08 0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 2npe h LEU 54 Cb 0.76 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2npe h LEU 54 CO 0.08 -0.16 -0.37 0.58 -0.34 0.00 0.00 178.44 178.23 2npe h VAL 55 N 0.26 1.31 -0.74 1.05 2.07 -0.10 -0.34 116.25 119.74 2npe h VAL 55 Ca 0.66 -1.56 0.11 0.00 0.82 0.00 0.00 66.70 66.74 2npe h VAL 55 Cb 1.46 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.87 2npe h VAL 55 CO -0.65 0.50 0.49 0.00 0.02 0.00 0.00 177.57 177.93 2npe h ILE 57 N 0.57 1.42 -0.24 0.00 1.08 -1.10 -2.84 117.51 116.40 2npe h ILE 57 Ca 0.35 -2.55 -0.03 0.00 -0.39 0.00 0.00 64.86 62.24 2npe h ILE 57 Cb 0.59 3.13 -0.01 0.00 -3.07 0.00 0.00 36.82 37.45 2npe h ILE 57 CO -0.12 0.73 0.03 -0.07 -0.69 0.00 0.00 178.15 178.03 2npe h LEU 58 N -0.27 0.31 0.09 1.44 3.38 -0.77 -0.20 115.31 119.30 2npe h LEU 58 Ca -0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2npe h LEU 58 Cb 1.75 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2npe h LEU 58 CO 0.17 0.35 -0.04 -0.25 0.09 0.00 0.00 178.44 178.75 2npe h TRP 59 N 0.34 -0.11 -0.11 1.13 2.91 -0.98 0.18 115.95 119.31 2npe h TRP 59 Ca 0.08 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 2npe h TRP 59 Cb 0.18 0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 28.86 2npe h TRP 59 CO 0.00 0.00 0.03 0.28 -1.03 0.00 0.00 178.44 177.73 2npe h VAL 60 N -0.19 1.19 -0.28 2.65 2.07 -1.30 -0.63 116.25 119.75 2npe h VAL 60 Ca -0.01 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.94 2npe h VAL 60 Cb 0.16 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2npe h VAL 60 CO 0.02 0.17 0.09 0.58 0.02 0.00 0.00 177.57 178.46 2npe h VAL 61 N -0.02 0.92 0.00 2.57 2.07 -0.87 -2.57 116.25 118.36 2npe h VAL 61 Ca 0.04 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2npe h VAL 61 Cb 0.25 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2npe h VAL 61 CO 0.00 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.63 2npe n TYR 62 N -5.04 0.00 0.33 1.57 0.18 -0.58 -1.63 117.16 111.99 2npe n TYR 62 Ca -0.01 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.61 2npe n TYR 62 Cb 0.10 0.02 -0.09 0.00 -0.38 0.00 0.00 39.34 39.00 2npe n TYR 62 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 2npe h GLY 63 N 0.00 -0.85 0.71 -7.48 0.00 0.29 -2.08 103.07 93.66 2npe h GLY 63 Ca 0.00 0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.68 2npe h GLY 63 CO 0.00 -0.31 0.11 -1.82 0.00 0.00 0.00 176.54 174.52 2npe h TYR 64 N -0.91 0.19 -0.73 5.60 3.20 -1.40 -1.92 116.97 121.00 2npe h TYR 64 Ca -0.08 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.84 2npe h TYR 64 Cb 0.66 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 2npe h TYR 64 CO -0.01 0.08 0.46 1.03 -1.64 0.00 0.00 178.16 178.07 2npe h SER 65 N 0.25 0.75 1.33 -2.11 0.87 -1.77 0.21 113.55 113.07 2npe h SER 65 Ca 0.15 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 2npe h SER 65 Cb 0.12 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2npe h SER 65 CO -0.16 0.51 -0.40 -0.07 -0.53 0.00 0.00 176.83 176.19 2npe h LEU 66 N 0.89 0.00 0.02 2.23 3.38 -0.90 -1.15 115.31 119.78 2npe h LEU 66 Ca 0.30 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 2npe h LEU 66 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2npe h LEU 66 CO -0.12 0.40 -0.97 0.00 0.09 0.00 0.00 178.44 177.83 2npe h ALA 67 N 1.60 0.18 0.00 1.53 0.00 -0.99 0.67 119.26 122.25 2npe h ALA 67 Ca -0.00 -1.01 -0.20 0.00 0.00 0.00 0.00 54.91 53.70 2npe h ALA 67 Cb 1.17 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 2npe h ALA 67 CO 0.05 0.56 -2.14 1.19 0.00 0.00 0.00 179.25 178.90 2npe n PHE 68 N -4.36 0.00 -0.90 0.00 3.72 0.71 -3.79 117.46 112.83 2npe n PHE 68 Ca -0.25 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.82 2npe n PHE 68 Cb 0.68 -0.74 0.12 0.00 -0.94 0.00 0.00 39.48 38.60 2npe n PHE 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2npe n GLY 69 N 1.63 -1.32 3.72 1.37 0.00 -0.45 -4.95 105.19 105.19 2npe n GLY 69 Ca -0.19 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 2npe n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2npe s GLU 70 N -3.76 4.51 0.00 1.61 2.12 -1.26 -4.22 118.70 117.70 2npe s GLU 70 Ca 0.63 1.13 0.00 0.00 0.36 0.00 0.00 54.97 57.09 2npe s GLU 70 Cb -0.25 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.72 2npe s GLU 70 CO 0.62 0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.84 2npe n GLY 71 N 2.80 1.60 0.00 -1.50 0.00 -1.25 -4.14 105.19 102.70 2npe n GLY 71 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2npe n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2npe n ASN 72 N 0.00 0.47 0.22 1.61 0.23 -0.14 -4.99 115.26 112.65 2npe n ASN 72 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.16 2npe n ASN 72 Cb 0.00 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.06 2npe n ASN 72 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2npe h ASN 73 N 0.00 0.00 0.00 0.53 2.35 -1.93 -3.40 115.58 113.13 2npe h ASN 73 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 2npe h ASN 73 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2npe h ASN 73 CO 0.00 0.17 -1.45 0.49 -1.65 0.00 0.00 177.43 174.99 2npe n PHE 74 N -3.22 0.00 -4.13 1.19 3.72 -1.26 -1.16 117.46 112.60 2npe n PHE 74 Ca 0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.33 2npe n PHE 74 Cb 0.48 -0.30 -0.10 0.00 -0.94 0.00 0.00 39.48 38.62 2npe n PHE 74 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 2npe s PHE 75 N -2.16 0.75 0.00 1.38 -0.12 -1.26 -4.19 117.98 112.38 2npe s PHE 75 Ca -0.11 -1.17 0.00 0.00 -0.05 0.00 0.00 56.93 55.60 2npe s PHE 75 Cb 0.03 -0.44 0.00 0.00 -0.63 0.00 0.00 43.02 41.97 2npe s PHE 75 CO 0.18 -0.48 0.00 0.41 -0.05 0.00 0.00 175.22 175.28 2npe n GLY 76 N -0.04 0.38 3.55 1.99 0.00 0.23 -0.97 105.19 110.34 2npe n GLY 76 Ca -0.08 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 2npe n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2npe s ASN 77 N -1.20 0.89 -0.41 1.61 2.20 -1.15 -3.92 114.94 112.95 2npe s ASN 77 Ca 0.00 -1.49 0.05 0.00 -0.94 0.00 0.00 52.86 50.47 2npe s ASN 77 Cb 0.00 0.72 0.49 0.00 -2.00 0.00 0.00 41.25 40.46 2npe s ASN 77 CO 0.00 -1.42 1.57 2.30 -2.94 0.00 0.00 177.10 176.62 2npe n ILE 78 N -0.59 2.91 1.28 0.54 -5.35 -1.26 -3.04 119.36 113.85 2npe n ILE 78 Ca -0.01 -3.25 0.13 0.00 -0.27 0.00 0.00 62.75 59.36 2npe n ILE 78 Cb 0.61 -0.85 0.36 0.00 -1.74 0.00 0.00 39.64 38.02 2npe n ILE 78 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2npe n ASN 79 N -0.93 1.55 -1.17 7.28 5.03 -1.26 -3.98 115.26 121.78 2npe n ASN 79 Ca 0.47 -1.32 -0.03 0.00 0.87 0.00 0.00 54.58 54.57 2npe n ASN 79 Cb 0.95 0.11 0.13 0.00 -1.02 0.00 0.00 39.78 39.95 2npe n ASN 79 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 2npe n TRP 80 N -0.04 0.85 -1.68 3.10 8.01 -1.26 -4.57 117.44 121.85 2npe n TRP 80 Ca 0.15 -1.66 -0.49 0.00 -1.31 0.00 0.00 57.50 54.19 2npe n TRP 80 Cb 0.39 -0.27 -0.05 0.00 -2.01 0.00 0.00 31.31 29.38 2npe n TRP 80 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2npe n LEU 81 N -0.86 3.11 -2.31 -0.99 4.32 -1.26 -1.50 117.00 117.52 2npe n LEU 81 Ca 0.25 1.02 -0.20 0.00 -0.02 0.00 0.00 56.01 57.06 2npe n LEU 81 Cb 0.81 -1.34 -0.02 0.00 -1.62 0.00 0.00 43.42 41.25 2npe n LEU 81 CO 0.09 -0.22 -0.25 0.23 -1.22 0.00 0.00 177.39 176.02 2npe n MET 82 N 5.45 -1.70 -1.76 3.23 2.81 -0.65 -1.33 117.12 123.18 2npe n MET 82 Ca 0.22 1.00 -0.16 0.00 -1.81 0.00 0.00 57.70 56.95 2npe n MET 82 Cb 0.26 -5.63 -0.05 0.00 -0.71 0.00 0.00 33.22 27.09 2npe n MET 82 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2npe n LEU 83 N -2.92 -1.37 -4.64 4.03 4.77 -0.56 -4.96 117.00 111.34 2npe n LEU 83 Ca -0.24 0.25 -0.40 0.00 -0.03 0.00 0.00 56.01 55.60 2npe n LEU 83 Cb 0.68 -2.35 0.02 0.00 -2.33 0.00 0.00 43.42 39.44 2npe n LEU 83 CO 0.28 -0.61 0.67 1.17 -1.33 0.00 0.00 177.39 177.57 2npe n LYS 84 N -2.54 1.40 -0.81 3.23 3.00 -0.44 -2.50 118.16 119.50 2npe n LYS 84 Ca -0.17 0.51 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 2npe n LYS 84 Cb 0.57 -2.18 0.00 0.00 0.00 0.00 0.00 35.03 33.42 2npe n LYS 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2npe n ASN 85 N 0.05 -1.89 -4.38 3.14 3.02 -1.26 -4.34 115.26 109.60 2npe n ASN 85 Ca 0.10 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.20 2npe n ASN 85 Cb 0.42 -1.88 -0.06 0.00 -0.61 0.00 0.00 39.78 37.65 2npe n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2npe s ILE 86 N -1.83 5.02 0.63 2.41 1.01 -1.04 -5.05 121.20 122.34 2npe s ILE 86 Ca 0.00 -0.99 -0.18 0.00 0.00 0.00 0.00 60.65 59.47 2npe s ILE 86 Cb 0.00 -4.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 2npe s ILE 86 CO 0.00 -0.86 1.24 -0.62 0.00 0.00 0.00 174.94 174.70 2npe n GLU 87 N 5.79 1.12 -0.18 2.79 -0.58 -1.26 -4.90 120.64 123.42 2npe n GLU 87 Ca -0.10 0.44 0.01 0.00 -0.42 0.00 0.00 57.16 57.09 2npe n GLU 87 Cb 0.43 -2.47 0.28 0.00 -0.57 0.00 0.00 31.44 29.11 2npe n GLU 87 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2npe h LEU 88 N 0.59 0.79 -0.96 -4.62 5.85 -1.98 -1.55 115.31 113.44 2npe h LEU 88 Ca -0.50 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2npe h LEU 88 Cb 1.34 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2npe h LEU 88 CO 0.53 0.57 0.00 0.35 -0.34 0.00 0.00 178.44 179.55 2npe n THR 89 N -4.43 0.20 -1.80 1.05 -2.24 -1.26 -4.72 114.28 101.08 2npe n THR 89 Ca 0.07 -0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 2npe n THR 89 Cb 0.04 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 2npe n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2npe s ALA 90 N -1.80 3.68 -0.06 6.98 0.00 -0.59 -4.87 121.76 125.10 2npe s ALA 90 Ca 0.31 1.56 0.02 0.00 0.00 0.00 0.00 51.96 53.85 2npe s ALA 90 Cb 0.16 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2npe s ALA 90 CO 0.24 -0.99 -0.12 0.08 0.00 0.00 0.00 175.76 174.97 2npe s VAL 91 N -0.37 3.25 -0.27 0.00 1.01 -1.26 -0.83 120.40 121.93 2npe s VAL 91 Ca 0.60 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 2npe s VAL 91 Cb -0.47 -2.30 0.08 0.00 0.00 0.00 0.00 36.38 33.69 2npe s VAL 91 CO 0.53 0.59 0.05 -0.32 0.00 0.00 0.00 175.10 175.94 2npe s MET 92 N -0.63 0.91 4.25 2.72 0.00 0.22 -4.75 119.30 122.03 2npe s MET 92 Ca 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 55.69 54.85 2npe s MET 92 Cb -0.11 -2.20 0.00 0.00 0.00 0.00 0.00 34.83 32.52 2npe s MET 92 CO 0.01 -0.82 0.00 0.41 0.00 0.00 0.00 175.02 174.62 2npe n GLY 93 N 4.84 1.50 0.23 2.11 0.00 -1.26 -2.95 105.19 109.65 2npe n GLY 93 Ca -0.05 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.45 2npe n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2npe n SER 94 N 6.45 1.07 -4.35 1.61 3.41 -1.26 -4.77 113.62 115.77 2npe n SER 94 Ca 0.00 -2.28 -0.20 0.00 -0.26 0.00 0.00 58.87 56.14 2npe n SER 94 Cb 0.00 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.61 2npe n SER 94 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2npe s ILE 95 N -1.15 1.80 0.45 -1.33 -4.36 -1.15 0.24 121.20 115.70 2npe s ILE 95 Ca 0.12 -2.15 -0.24 0.00 -0.26 0.00 0.00 60.65 58.11 2npe s ILE 95 Cb 0.10 -2.00 -0.08 0.00 1.25 0.00 0.00 42.46 41.73 2npe s ILE 95 CO 0.01 -0.51 1.33 -0.31 0.24 0.00 0.00 174.94 175.70 2npe s TYR 96 N -2.71 2.61 0.25 1.37 2.02 -1.26 0.71 117.35 120.34 2npe s TYR 96 Ca 0.21 1.38 -0.05 0.00 -0.37 0.00 0.00 57.07 58.24 2npe s TYR 96 Cb -0.02 -3.73 0.27 0.00 -0.40 0.00 0.00 41.96 38.08 2npe s TYR 96 CO 0.07 -2.42 1.81 0.37 -1.57 0.00 0.00 175.55 173.82 2npe h GLN 97 N 2.24 1.06 -1.03 -0.62 4.15 -1.27 -0.93 115.11 118.71 2npe h GLN 97 Ca -0.50 -0.19 0.26 0.00 0.77 0.00 0.00 58.65 58.99 2npe h GLN 97 Cb 1.26 -0.17 -0.09 0.00 0.21 0.00 0.00 27.48 28.69 2npe h GLN 97 CO 0.61 0.87 0.66 1.88 -1.93 0.00 0.00 178.83 180.91 2npe h TYR 98 N 1.03 0.70 -0.22 3.99 -1.99 -1.85 0.26 116.97 118.89 2npe h TYR 98 Ca 0.24 0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.84 2npe h TYR 98 Cb 0.22 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 2npe h TYR 98 CO 0.02 0.08 -0.47 0.82 -0.00 0.00 0.00 178.16 178.60 2npe h ILE 99 N 0.43 1.31 -0.68 -2.88 2.04 -1.54 -2.09 117.51 114.10 2npe h ILE 99 Ca 0.59 -1.68 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 2npe h ILE 99 Cb 1.43 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 39.12 2npe h ILE 99 CO -0.30 0.53 0.39 -0.74 0.00 0.00 0.00 178.15 178.03 2npe h HIS 100 N 0.46 0.92 -0.65 1.37 2.76 -0.50 0.59 115.15 120.10 2npe h HIS 100 Ca 0.03 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.27 2npe h HIS 100 Cb 1.00 -0.30 -0.07 0.00 1.55 0.00 0.00 27.41 29.59 2npe h HIS 100 CO 0.04 0.63 0.29 0.28 -1.30 0.00 0.00 177.93 177.88 2npe h VAL 101 N 0.93 0.83 0.00 5.26 2.07 -0.27 -0.83 116.25 124.25 2npe h VAL 101 Ca 0.24 -0.18 -0.20 0.00 0.82 0.00 0.00 66.70 67.39 2npe h VAL 101 Cb 0.00 0.27 0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2npe h VAL 101 CO -0.04 0.09 -0.78 0.00 0.02 0.00 0.00 177.57 176.86 2npe h ALA 102 N 1.41 0.09 -0.09 1.67 0.00 -1.01 0.85 119.26 122.18 2npe h ALA 102 Ca 0.32 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.64 2npe h ALA 102 Cb 0.35 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2npe h ALA 102 CO -0.27 0.48 -0.15 0.35 0.00 0.00 0.00 179.25 179.66 2npe h PHE 103 N 0.08 -0.39 -0.69 0.00 3.57 -0.51 0.12 116.94 119.13 2npe h PHE 103 Ca -0.10 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 2npe h PHE 103 Cb 1.47 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 40.37 2npe h PHE 103 CO 0.13 -0.22 0.22 1.96 -2.23 0.00 0.00 178.31 178.17 2npe h GLN 104 N -0.21 1.07 -0.49 1.11 1.08 -1.12 -2.18 115.11 114.37 2npe h GLN 104 Ca 0.08 -0.23 0.07 0.00 -1.45 0.00 0.00 58.65 57.12 2npe h GLN 104 Cb 0.32 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.53 2npe h GLN 104 CO -0.21 0.92 0.15 0.78 -0.95 0.00 0.00 178.83 179.52 2npe h GLY 105 N 1.01 0.64 1.63 3.46 0.00 0.03 -2.32 103.07 107.52 2npe h GLY 105 Ca 0.22 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.53 2npe h GLY 105 CO -0.01 -0.02 0.14 1.48 0.00 0.00 0.00 176.54 178.14 2npe h SER 106 N 0.31 0.00 -0.27 0.19 4.64 -0.12 -0.55 113.55 117.75 2npe h SER 106 Ca 0.24 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.47 2npe h SER 106 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2npe h SER 106 CO -0.27 0.00 -0.16 -0.26 -0.87 0.00 0.00 176.83 175.27 2npe h PHE 107 N 0.00 0.68 -0.66 4.77 -1.00 -1.35 -1.85 116.94 117.53 2npe h PHE 107 Ca 0.07 -0.18 0.09 0.00 2.81 0.00 0.00 57.97 60.76 2npe h PHE 107 Cb 0.35 -0.15 -0.07 0.00 3.61 0.00 0.00 35.95 39.69 2npe h PHE 107 CO 0.00 0.85 0.30 0.00 -1.61 0.00 0.00 178.31 177.85 2npe h ALA 108 N 0.72 0.88 0.36 2.45 0.00 -0.96 -1.84 119.26 120.88 2npe h ALA 108 Ca 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2npe h ALA 108 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2npe h ALA 108 CO 0.05 -0.10 -0.18 0.00 0.00 0.00 0.00 179.25 179.02 2npe h ILE 110 N -0.52 1.24 -0.24 0.00 6.09 -1.20 -0.24 117.51 122.64 2npe h ILE 110 Ca -0.05 -0.63 0.06 0.00 -1.37 0.00 0.00 64.86 62.87 2npe h ILE 110 Cb 0.39 0.23 -0.06 0.00 0.47 0.00 0.00 36.82 37.85 2npe h ILE 110 CO 0.08 0.28 -0.17 0.74 -3.07 0.00 0.00 178.15 176.01 2npe h THR 111 N 1.08 0.53 -0.48 2.19 2.02 -1.16 0.01 112.91 117.11 2npe h THR 111 Ca 0.27 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.46 2npe h THR 111 Cb 0.07 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2npe h THR 111 CO -0.04 0.00 0.30 0.58 0.37 0.00 0.00 175.52 176.73 2npe h VAL 112 N -0.16 1.09 -0.84 3.16 2.07 -1.06 -2.58 116.25 117.94 2npe h VAL 112 Ca 0.14 -0.21 0.19 0.00 0.82 0.00 0.00 66.70 67.64 2npe h VAL 112 Cb 0.36 0.42 -0.12 0.00 -1.52 0.00 0.00 31.29 30.44 2npe h VAL 112 CO -0.34 0.11 0.31 1.23 0.02 0.00 0.00 177.57 178.91 2npe h GLY 113 N 0.62 1.33 0.92 2.17 0.00 0.61 0.17 103.07 108.88 2npe h GLY 113 Ca 0.18 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.45 2npe h GLY 113 CO -0.06 -0.23 0.58 1.41 0.00 0.00 0.00 176.54 178.24 2npe h LEU 114 N 0.36 0.91 0.04 3.11 3.38 -0.66 -1.83 115.31 120.63 2npe h LEU 114 Ca 0.50 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.39 2npe h LEU 114 Cb 0.91 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2npe h LEU 114 CO -0.52 0.60 -0.41 0.40 0.09 0.00 0.00 178.44 178.61 2npe h ILE 115 N 1.05 1.60 -0.10 1.22 2.04 -1.00 -3.34 117.51 118.98 2npe h ILE 115 Ca 0.37 -2.38 -0.10 0.00 1.00 0.00 0.00 64.86 63.75 2npe h ILE 115 Cb 0.13 3.20 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 2npe h ILE 115 CO -0.13 0.61 -0.37 0.58 0.00 0.00 0.00 178.15 178.84 2npe h VAL 116 N -0.80 1.29 -0.32 1.67 2.07 -0.62 -2.25 116.25 117.30 2npe h VAL 116 Ca -0.09 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 65.93 2npe h VAL 116 Cb 1.24 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 2npe h VAL 116 CO 0.02 0.42 -0.15 1.23 0.02 0.00 0.00 177.57 179.11 2npe h GLY 117 N 1.16 0.60 1.53 2.17 0.00 -1.49 0.24 103.07 107.29 2npe h GLY 117 Ca 0.02 -0.44 -0.29 0.00 0.00 0.00 0.00 47.33 46.62 2npe h GLY 117 CO 0.06 0.41 -1.32 0.00 0.00 0.00 0.00 176.54 175.69 2npe h ALA 118 N 1.33 0.10 -0.01 3.60 0.00 -1.59 -3.36 119.26 119.32 2npe h ALA 118 Ca 0.09 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2npe h ALA 118 Cb 0.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2npe h ALA 118 CO 0.04 0.97 -0.46 1.28 0.00 0.00 0.00 179.25 181.07 2npe n LEU 119 N -3.54 1.67 -0.12 0.00 4.77 -0.88 -4.34 117.00 114.56 2npe n LEU 119 Ca -0.11 -0.60 -0.05 0.00 -0.03 0.00 0.00 56.01 55.23 2npe n LEU 119 Cb 1.04 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 42.12 2npe n LEU 119 CO 0.54 0.32 0.92 0.00 -1.33 0.00 0.00 177.39 177.83 2npe h ALA 120 N 3.75 0.44 -0.28 -1.18 0.00 -0.69 -1.88 119.26 119.42 2npe h ALA 120 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2npe h ALA 120 Cb 0.67 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2npe h ALA 120 CO 0.00 -0.30 -0.17 0.39 0.00 0.00 0.00 179.25 179.17 2npe n GLU 121 N -5.07 -0.12 -0.09 0.00 1.02 -1.26 -3.14 120.64 111.98 2npe n GLU 121 Ca 0.03 0.94 0.12 0.00 -0.02 0.00 0.00 57.16 58.23 2npe n GLU 121 Cb 0.17 -1.40 0.15 0.00 -0.02 0.00 0.00 31.44 30.35 2npe n GLU 121 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2npe n ARG 122 N -3.58 2.42 -4.65 3.49 3.00 -1.04 -4.88 116.66 111.42 2npe n ARG 122 Ca 0.01 -2.09 -0.33 0.00 -0.01 0.00 0.00 57.85 55.42 2npe n ARG 122 Cb 0.07 -1.49 -0.13 0.00 0.00 0.00 0.00 32.46 30.91 2npe n ARG 122 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2npe s ILE 123 N -1.77 3.38 0.17 0.55 1.10 -0.73 -3.81 121.20 120.09 2npe s ILE 123 Ca 0.33 -0.55 -0.33 0.00 -0.51 0.00 0.00 60.65 59.59 2npe s ILE 123 Cb 0.21 -2.44 -0.14 0.00 0.15 0.00 0.00 42.46 40.25 2npe s ILE 123 CO 0.31 0.52 1.59 -1.14 -2.11 0.00 0.00 174.94 174.11 2npe n ARG 124 N 3.38 2.24 0.01 3.50 0.63 0.38 -4.74 116.66 122.06 2npe n ARG 124 Ca -0.18 0.81 -0.08 0.00 -0.92 0.00 0.00 57.85 57.48 2npe n ARG 124 Cb 0.53 -2.58 -0.05 0.00 0.45 0.00 0.00 32.46 30.81 2npe n ARG 124 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 2npe h PHE 125 N 5.91 -0.78 -0.60 -0.14 -0.00 -1.92 0.21 116.94 119.62 2npe h PHE 125 Ca -0.45 0.03 0.13 0.00 -0.00 0.00 0.00 57.97 57.68 2npe h PHE 125 Cb 1.25 0.34 -0.03 0.00 -0.00 0.00 0.00 35.95 37.51 2npe h PHE 125 CO 0.62 -0.27 0.41 0.66 -0.00 0.00 0.00 178.31 179.73 2npe h SER 126 N -0.31 0.24 -0.56 0.41 4.64 -1.95 1.88 113.55 117.91 2npe h SER 126 Ca 0.01 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.37 2npe h SER 126 Cb 0.34 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 2npe h SER 126 CO -0.19 0.14 0.33 0.00 -0.87 0.00 0.00 176.83 176.24 2npe h ALA 127 N 1.70 0.72 -0.96 5.18 0.00 -1.58 -1.16 119.26 123.16 2npe h ALA 127 Ca 0.29 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2npe h ALA 127 Cb 0.76 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2npe h ALA 127 CO -0.06 0.05 0.64 -0.24 0.00 0.00 0.00 179.25 179.63 2npe h VAL 128 N 0.65 1.24 -0.16 0.00 3.04 0.49 -1.00 116.25 120.52 2npe h VAL 128 Ca 0.23 -0.44 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 2npe h VAL 128 Cb 0.03 -0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 29.14 2npe h VAL 128 CO -0.10 0.24 0.01 -0.07 -1.01 0.00 0.00 177.57 176.63 2npe h LEU 129 N 1.29 0.26 -0.27 3.16 3.38 -1.00 0.14 115.31 122.28 2npe h LEU 129 Ca 0.36 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2npe h LEU 129 Cb -0.13 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2npe h LEU 129 CO -0.08 0.49 -0.02 0.40 0.09 0.00 0.00 178.44 179.31 2npe h ILE 130 N 0.03 0.78 -0.05 1.22 2.04 -1.06 -1.94 117.51 118.53 2npe h ILE 130 Ca 0.05 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.92 2npe h ILE 130 Cb 0.34 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 2npe h ILE 130 CO 0.01 0.01 -0.22 0.15 0.00 0.00 0.00 178.15 178.09 2npe h PHE 131 N 0.05 -0.59 -0.61 1.37 3.57 -0.69 -0.12 116.94 119.93 2npe h PHE 131 Ca 0.13 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.76 2npe h PHE 131 Cb 0.18 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.11 2npe h PHE 131 CO -0.23 -0.31 0.15 0.28 -2.23 0.00 0.00 178.31 175.98 2npe h VAL 132 N -0.32 0.66 0.93 1.41 2.07 -0.22 -0.55 116.25 120.22 2npe h VAL 132 Ca 0.08 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2npe h VAL 132 Cb 0.43 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2npe h VAL 132 CO -0.24 0.05 -0.48 0.58 0.02 0.00 0.00 177.57 177.51 2npe h VAL 133 N 0.29 0.00 -0.73 2.57 2.07 -0.80 0.22 116.25 119.87 2npe h VAL 133 Ca 0.32 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.99 2npe h VAL 133 Cb 0.46 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 2npe h VAL 133 CO -0.39 0.00 0.22 0.58 0.02 0.00 0.00 177.57 178.00 2npe h VAL 134 N -1.29 0.58 0.13 2.57 2.07 -0.41 -2.57 116.25 117.34 2npe h VAL 134 Ca -0.13 -0.11 -0.32 0.00 0.82 0.00 0.00 66.70 66.96 2npe h VAL 134 Cb 1.00 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2npe h VAL 134 CO 0.19 0.06 -1.63 -0.25 0.02 0.00 0.00 177.57 175.97 2npe h TRP 135 N 0.33 0.52 -0.97 1.57 7.01 -1.02 -1.39 115.95 122.00 2npe h TRP 135 Ca 0.40 -0.38 0.06 0.00 2.11 0.00 0.00 58.89 61.08 2npe h TRP 135 Cb 0.65 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.63 2npe h TRP 135 CO -0.22 1.47 0.62 1.25 -2.79 0.00 0.00 178.44 178.78 2npe h LEU 136 N 0.08 1.01 0.01 0.65 5.85 -0.47 -1.26 115.31 121.18 2npe h LEU 136 Ca -0.28 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 2npe h LEU 136 Cb 2.04 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 42.87 2npe h LEU 136 CO 0.16 0.66 -0.47 0.74 -0.34 0.00 0.00 178.44 179.19 2npe h THR 137 N 1.16 1.50 -0.01 1.05 2.02 -1.44 -1.10 112.91 116.08 2npe h THR 137 Ca 0.41 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.50 2npe h THR 137 Cb 0.11 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2npe h THR 137 CO -0.16 0.59 -0.55 0.18 0.37 0.00 0.00 175.52 175.95 2npe n LEU 138 N -4.33 1.45 0.08 2.58 4.77 -0.53 -4.34 117.00 116.68 2npe n LEU 138 Ca -0.10 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 2npe n LEU 138 Cb 0.62 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2npe n LEU 138 CO 0.44 0.29 0.00 -0.24 -1.33 0.00 0.00 177.39 176.54 2npe n SER 139 N -0.62 0.35 -0.08 -1.43 2.88 -0.74 -4.69 113.62 109.30 2npe n SER 139 Ca 0.08 0.27 -0.09 0.00 -1.33 0.00 0.00 58.87 57.80 2npe n SER 139 Cb 0.40 0.05 -0.02 0.00 -0.75 0.00 0.00 64.21 63.89 2npe n SER 139 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2npe h TYR 140 N 0.00 0.36 0.67 0.66 3.20 -0.91 -2.19 116.97 118.75 2npe h TYR 140 Ca 0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2npe h TYR 140 Cb 0.00 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.16 2npe h TYR 140 CO 0.00 0.24 -0.32 0.82 -1.64 0.00 0.00 178.16 177.26 2npe h ILE 141 N 0.37 0.26 -0.01 1.81 2.04 -1.40 0.18 117.51 120.76 2npe h ILE 141 Ca 0.10 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.80 2npe h ILE 141 Cb -0.03 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.32 2npe h ILE 141 CO -0.02 0.02 -0.38 -0.65 0.00 0.00 0.00 178.15 177.12 2npe h PRO 142 N -1.04 -0.51 -0.35 2.37 0.11 -1.71 0.99 132.00 131.85 2npe h PRO 142 Ca -0.09 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.13 2npe h PRO 142 Cb 0.72 0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.87 2npe h PRO 142 CO 0.15 -0.34 -0.11 0.82 -0.21 0.00 0.00 178.00 178.31 2npe h ILE 143 N -0.53 0.59 -0.56 4.15 2.04 -1.43 0.97 117.51 122.75 2npe h ILE 143 Ca 0.06 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.02 2npe h ILE 143 Cb 0.62 0.59 -0.11 0.00 -0.74 0.00 0.00 36.82 37.18 2npe h ILE 143 CO -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 177.51 2npe h ALA 144 N 1.29 -0.08 -0.92 1.87 0.00 -0.03 0.12 119.26 121.51 2npe h ALA 144 Ca 0.17 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2npe h ALA 144 Cb 0.30 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2npe h ALA 144 CO -0.38 -0.69 0.61 1.25 0.00 0.00 0.00 179.25 180.03 2npe h HIS 145 N -0.18 1.13 -0.42 0.00 -0.00 0.32 0.42 115.15 116.43 2npe h HIS 145 Ca 0.22 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.47 2npe h HIS 145 Cb 0.55 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 2npe h HIS 145 CO -0.62 0.68 -0.33 0.52 -0.00 0.00 0.00 177.93 178.18 2npe h MET 146 N 1.19 0.96 0.06 5.26 2.07 0.17 0.29 114.93 124.93 2npe h MET 146 Ca 0.35 -0.47 -0.22 0.00 -2.07 0.00 0.00 59.70 57.29 2npe h MET 146 Cb -0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.67 2npe h MET 146 CO -0.10 1.14 -1.18 0.28 1.07 0.00 0.00 176.91 178.12 2npe h VAL 147 N 0.79 1.08 0.00 -2.22 2.07 -0.53 -0.66 116.25 116.77 2npe h VAL 147 Ca 0.08 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.29 2npe h VAL 147 Cb 0.92 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 2npe h VAL 147 CO 0.09 0.55 -0.64 0.79 0.02 0.00 0.00 177.57 178.38 2npe n TRP 148 N -4.19 0.00 -0.30 1.57 8.01 0.14 -4.25 117.44 118.43 2npe n TRP 148 Ca -0.26 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.05 2npe n TRP 148 Cb 0.77 -0.05 0.32 0.00 -2.01 0.00 0.00 31.31 30.34 2npe n TRP 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2npe n GLY 149 N 1.39 2.39 1.73 6.99 0.00 -0.23 -4.92 105.19 112.53 2npe n GLY 149 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2npe n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2npe n GLY 150 N 1.65 0.47 0.00 -0.02 0.00 -0.98 -4.89 105.19 101.42 2npe n GLY 150 Ca 0.24 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2npe n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2npe n GLY 151 N -2.86 -0.62 0.22 -0.02 0.00 -0.08 -4.55 105.19 97.29 2npe n GLY 151 Ca 0.00 -1.66 -0.06 0.00 0.00 0.00 0.00 46.02 44.30 2npe n GLY 151 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2npe n LEU 152 N 0.00 -0.55 -0.08 0.99 7.94 -0.31 -2.03 117.00 122.95 2npe n LEU 152 Ca 0.00 1.12 -0.12 0.00 -1.11 0.00 0.00 56.01 55.91 2npe n LEU 152 Cb 0.00 -0.22 -0.05 0.00 0.53 0.00 0.00 43.42 43.69 2npe n LEU 152 CO 0.00 -0.85 0.72 -0.07 -1.11 0.00 0.00 177.39 176.08 2npe h LEU 153 N 0.00 0.45 -0.60 -1.96 3.38 -1.81 -2.50 115.31 112.27 2npe h LEU 153 Ca 0.08 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.79 2npe h LEU 153 Cb 0.21 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 2npe h LEU 153 CO -0.49 0.70 0.21 0.00 0.09 0.00 0.00 178.44 178.95 2npe h ALA 154 N 0.77 0.76 0.00 1.53 0.00 -0.68 -1.98 119.26 119.65 2npe h ALA 154 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2npe h ALA 154 Cb 0.49 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2npe h ALA 154 CO 0.02 -0.21 0.00 -1.13 0.00 0.00 0.00 179.25 177.93 2npe n SER 155 N -5.01 0.00 -0.31 0.00 3.41 -0.86 -1.02 113.62 109.83 2npe n SER 155 Ca 0.08 0.02 0.12 0.00 -0.26 0.00 0.00 58.87 58.83 2npe n SER 155 Cb 0.28 -0.34 0.13 0.00 -0.26 0.00 0.00 64.21 64.01 2npe n SER 155 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2npe n HIS 156 N -1.34 0.00 -0.11 7.33 -0.00 -0.82 -4.97 115.22 115.30 2npe n HIS 156 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 2npe n HIS 156 Cb 0.27 -0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.20 2npe n HIS 156 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2npe n GLY 157 N 1.41 1.33 3.69 -1.41 0.00 -0.18 -4.99 105.19 105.04 2npe n GLY 157 Ca 0.09 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2npe n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npe n ALA 158 N -1.45 1.12 -3.68 4.61 0.00 -0.81 -4.97 120.51 115.33 2npe n ALA 158 Ca 0.00 0.18 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 2npe n ALA 158 Cb 0.02 -2.25 -0.14 0.00 0.00 0.00 0.00 19.45 17.07 2npe n ALA 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2npe s LEU 159 N -2.17 2.90 -0.34 0.00 1.43 -1.26 -4.82 118.68 114.42 2npe s LEU 159 Ca 0.67 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 2npe s LEU 159 Cb -0.47 -1.67 0.17 0.00 0.03 0.00 0.00 46.19 44.25 2npe s LEU 159 CO 0.54 -0.06 0.49 -0.62 0.23 0.00 0.00 176.35 176.93 2npe s ASP 160 N 1.39 -0.34 0.14 2.29 -1.08 -1.26 -4.95 116.67 112.86 2npe s ASP 160 Ca 0.04 -0.60 -0.12 0.00 -0.52 0.00 0.00 52.55 51.34 2npe s ASP 160 Cb -0.15 1.40 -0.00 0.00 -1.46 0.00 0.00 42.92 42.71 2npe s ASP 160 CO -0.05 -0.28 1.56 0.15 0.52 0.00 0.00 175.17 177.07 2npe h PHE 161 N 7.63 0.98 0.00 -5.34 3.57 -1.43 -3.35 116.94 118.99 2npe h PHE 161 Ca -0.01 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2npe h PHE 161 Cb 1.14 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.63 2npe h PHE 161 CO 0.25 0.96 -0.03 0.00 -2.23 0.00 0.00 178.31 177.26 2npe n ALA 162 N -2.47 1.31 0.00 2.41 0.00 -1.12 -4.90 120.51 115.74 2npe n ALA 162 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2npe n ALA 162 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2npe n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2npe n GLY 163 N -0.14 1.06 0.40 0.00 0.00 -1.26 -4.85 105.19 100.40 2npe n GLY 163 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2npe n GLY 163 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2npe h GLY 164 N 0.00 -1.18 0.56 -0.02 0.00 -1.88 -0.18 103.07 100.38 2npe h GLY 164 Ca 0.00 0.65 -0.01 0.00 0.00 0.00 0.00 47.33 47.97 2npe h GLY 164 CO 0.00 -0.29 -0.06 -0.91 0.00 0.00 0.00 176.54 175.28 2npe h THR 165 N -0.58 1.05 -0.62 4.70 1.35 -1.95 -0.36 112.91 116.49 2npe h THR 165 Ca 0.01 -0.90 -0.00 0.00 -0.55 0.00 0.00 66.41 64.97 2npe h THR 165 Cb 0.61 1.59 -0.03 0.00 -1.73 0.00 0.00 68.15 68.59 2npe h THR 165 CO -0.29 0.21 0.38 0.58 -0.25 0.00 0.00 175.52 176.15 2npe h VAL 166 N -0.61 1.18 0.00 6.82 2.07 -1.91 -1.56 116.25 122.24 2npe h VAL 166 Ca -0.02 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2npe h VAL 166 Cb 0.47 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2npe h VAL 166 CO 0.03 0.18 -0.38 0.52 0.02 0.00 0.00 177.57 177.94 2npe n VAL 167 N -4.61 0.82 0.02 2.57 0.31 -0.10 -4.52 118.33 112.82 2npe n VAL 167 Ca 0.05 0.33 -0.03 0.00 -0.01 0.00 0.00 64.34 64.68 2npe n VAL 167 Cb 0.05 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 30.97 2npe n VAL 167 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 2npe h HIS 168 N -0.57 -0.15 0.03 3.52 3.86 -1.07 -1.36 115.15 119.40 2npe h HIS 168 Ca 0.00 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2npe h HIS 168 Cb 0.38 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2npe h HIS 168 CO -0.16 -0.09 -0.06 0.82 0.86 0.00 0.00 177.93 179.29 2npe h ILE 169 N -1.04 0.84 -0.94 2.45 2.04 -1.17 0.63 117.51 120.32 2npe h ILE 169 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 2npe h ILE 169 Cb 0.13 0.84 -0.11 0.00 -0.74 0.00 0.00 36.82 36.94 2npe h ILE 169 CO 0.03 0.00 -0.55 -3.20 0.00 0.00 0.00 178.15 174.43 2npe n ASN 170 N -5.18 -0.99 0.03 1.72 5.15 -0.59 -0.79 115.26 114.61 2npe n ASN 170 Ca -0.07 1.67 -0.11 0.00 -0.60 0.00 0.00 54.58 55.47 2npe n ASN 170 Cb 0.11 -0.22 0.01 0.00 -0.53 0.00 0.00 39.78 39.15 2npe n ASN 170 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2npe h ALA 171 N 0.46 0.56 -0.85 5.20 0.00 -0.76 -2.17 119.26 121.69 2npe h ALA 171 Ca 0.15 -0.59 0.07 0.00 0.00 0.00 0.00 54.91 54.54 2npe h ALA 171 Cb 0.38 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2npe h ALA 171 CO -0.88 0.73 0.52 0.00 0.00 0.00 0.00 179.25 179.62 2npe h ALA 172 N 0.87 1.19 -0.04 0.00 0.00 -0.48 0.33 119.26 121.12 2npe h ALA 172 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2npe h ALA 172 Cb 1.29 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2npe h ALA 172 CO 0.13 0.23 -0.00 0.82 0.00 0.00 0.00 179.25 180.42 2npe h ILE 173 N 0.92 1.27 -0.52 0.00 1.08 -0.59 -0.36 117.51 119.31 2npe h ILE 173 Ca 0.38 -0.82 0.10 0.00 -0.39 0.00 0.00 64.86 64.13 2npe h ILE 173 Cb 0.23 1.74 -0.08 0.00 -3.07 0.00 0.00 36.82 35.63 2npe h ILE 173 CO -0.19 0.22 0.04 0.00 -0.69 0.00 0.00 178.15 177.53 2npe h ALA 174 N 0.69 0.53 -0.78 1.87 0.00 -1.16 -0.21 119.26 120.20 2npe h ALA 174 Ca 0.01 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2npe h ALA 174 Cb 0.36 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2npe h ALA 174 CO 0.00 -0.36 0.47 0.78 0.00 0.00 0.00 179.25 180.15 2npe h GLY 175 N 0.16 1.13 1.34 0.00 0.00 -0.28 0.34 103.07 105.76 2npe h GLY 175 Ca 0.26 -0.47 -0.21 0.00 0.00 0.00 0.00 47.33 46.92 2npe h GLY 175 CO -0.40 0.45 -0.78 1.41 0.00 0.00 0.00 176.54 177.22 2npe h LEU 176 N 1.06 0.77 -0.69 3.11 3.38 -0.66 0.24 115.31 122.54 2npe h LEU 176 Ca 0.28 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2npe h LEU 176 Cb -0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2npe h LEU 176 CO -0.05 1.30 0.40 0.58 0.09 0.00 0.00 178.44 180.75 2npe h VAL 177 N 0.43 1.20 0.03 1.22 2.07 -0.92 -0.28 116.25 120.00 2npe h VAL 177 Ca -0.05 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2npe h VAL 177 Cb 1.39 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2npe h VAL 177 CO 0.15 0.22 -0.10 1.23 0.02 0.00 0.00 177.57 179.09 2npe h GLY 178 N 0.94 -1.15 -0.73 2.17 0.00 -0.62 -2.34 103.07 101.34 2npe h GLY 178 Ca 0.24 0.52 0.37 0.00 0.00 0.00 0.00 47.33 48.46 2npe h GLY 178 CO -0.04 -0.41 0.62 0.00 0.00 0.00 0.00 176.54 176.71 2npe h ALA 179 N -1.40 2.16 0.00 3.60 0.00 -0.37 0.34 119.26 123.58 2npe h ALA 179 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2npe h ALA 179 Cb 0.14 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2npe h ALA 179 CO -0.05 -0.81 0.00 0.98 0.00 0.00 0.00 179.25 179.37 2npe n TYR 180 N -5.03 0.00 -0.57 0.00 9.36 -0.13 -5.09 117.16 115.71 2npe n TYR 180 Ca 0.34 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.56 2npe n TYR 180 Cb 1.14 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.85 2npe n TYR 180 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2npe n LEU 181 N -0.96 0.54 -3.87 2.98 4.77 0.12 -5.08 117.00 115.51 2npe n LEU 181 Ca 0.05 -0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 55.34 2npe n LEU 181 Cb 0.02 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 2npe n LEU 181 CO 0.04 0.14 -0.37 -2.84 -1.33 0.00 0.00 177.39 173.02 2npe s PRO 195 N -0.11 0.20 0.03 3.23 0.02 -1.26 -5.02 135.00 132.09 2npe s PRO 195 Ca 0.00 -0.00 0.12 0.00 0.02 0.00 0.00 61.00 61.14 2npe s PRO 195 Cb 0.00 -0.29 -0.19 0.00 0.02 0.00 0.00 34.50 34.04 2npe s PRO 195 CO 0.00 -0.03 0.86 1.12 -0.33 0.00 0.00 177.00 178.62 2npe h HIS 196 N 6.60 0.00 -2.32 6.54 2.07 -1.41 -3.43 115.15 123.20 2npe h HIS 196 Ca -0.33 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.63 2npe h HIS 196 Cb 1.17 0.00 -0.37 0.00 2.57 0.00 0.00 27.41 30.78 2npe h HIS 196 CO 0.45 0.90 -0.91 1.21 -3.07 0.00 0.00 177.93 176.52 2npe s ASN 197 N -6.19 1.63 0.20 3.10 3.84 -0.75 -5.01 114.94 111.77 2npe s ASN 197 Ca -0.03 -2.70 -0.08 0.00 0.21 0.00 0.00 52.86 50.27 2npe s ASN 197 Cb 0.08 -0.25 0.13 0.00 -0.55 0.00 0.00 41.25 40.67 2npe s ASN 197 CO 0.82 -0.20 1.74 -0.07 -2.79 0.00 0.00 177.10 176.60 2npe h LEU 198 N 6.03 1.08 -0.83 3.21 3.38 -1.83 -1.02 115.31 125.34 2npe h LEU 198 Ca 0.19 -0.20 0.19 0.00 0.09 0.00 0.00 57.88 58.15 2npe h LEU 198 Cb 0.94 -0.28 -0.12 0.00 0.09 0.00 0.00 40.66 41.29 2npe h LEU 198 CO 0.31 1.00 0.31 -0.65 0.09 0.00 0.00 178.44 179.50 2npe h PRO 199 N 1.11 0.36 -0.19 1.13 0.11 -1.96 0.50 132.00 133.06 2npe h PRO 199 Ca 0.24 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 2npe h PRO 199 Cb 0.30 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2npe h PRO 199 CO -0.01 0.24 0.11 1.98 -0.21 0.00 0.00 178.00 180.10 2npe h MET 200 N 0.37 0.25 -0.85 1.05 1.85 -1.57 -0.46 114.93 115.58 2npe h MET 200 Ca 0.49 -0.03 0.09 0.00 -0.61 0.00 0.00 59.70 59.65 2npe h MET 200 Cb 0.87 -0.05 -0.07 0.00 0.43 0.00 0.00 31.60 32.78 2npe h MET 200 CO -0.51 0.23 0.50 0.28 -0.40 0.00 0.00 176.91 177.01 2npe h VAL 201 N 0.21 0.93 0.15 -5.77 2.07 -0.33 -1.24 116.25 112.27 2npe h VAL 201 Ca 0.07 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2npe h VAL 201 Cb 0.05 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2npe h VAL 201 CO -0.01 0.15 -0.10 0.15 0.02 0.00 0.00 177.57 177.78 2npe h PHE 202 N 0.84 -0.25 -0.59 1.57 3.57 0.81 0.85 116.94 123.73 2npe h PHE 202 Ca 0.41 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.99 2npe h PHE 202 Cb 0.35 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.11 2npe h PHE 202 CO -0.05 -0.15 0.22 1.15 -2.23 0.00 0.00 178.31 177.24 2npe h THR 203 N -0.25 0.78 -0.29 4.41 2.02 -0.71 0.19 112.91 119.07 2npe h THR 203 Ca -0.01 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 2npe h THR 203 Cb 0.21 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2npe h THR 203 CO 0.01 0.07 0.03 1.23 0.37 0.00 0.00 175.52 177.23 2npe h GLY 204 N 0.40 0.52 0.28 2.16 0.00 -1.00 0.14 103.07 105.57 2npe h GLY 204 Ca 0.30 -0.36 0.10 0.00 0.00 0.00 0.00 47.33 47.37 2npe h GLY 204 CO -0.30 0.33 0.14 -0.84 0.00 0.00 0.00 176.54 175.88 2npe h THR 205 N 0.29 0.69 -0.06 4.70 2.02 0.54 0.22 112.91 121.33 2npe h THR 205 Ca 0.09 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.20 2npe h THR 205 Cb 0.37 0.38 -0.06 0.00 -1.74 0.00 0.00 68.15 67.10 2npe h THR 205 CO 0.01 0.05 -0.42 0.00 0.37 0.00 0.00 175.52 175.53 2npe h ALA 206 N 1.44 -0.65 -0.76 6.16 0.00 -0.37 0.19 119.26 125.27 2npe h ALA 206 Ca 0.30 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.27 2npe h ALA 206 Cb 0.41 0.77 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2npe h ALA 206 CO -0.36 -0.95 0.41 0.82 0.00 0.00 0.00 179.25 179.18 2npe h ILE 207 N -0.54 0.89 -0.42 0.00 5.03 -0.06 -0.84 117.51 121.56 2npe h ILE 207 Ca 0.06 -0.24 0.02 0.00 -0.12 0.00 0.00 64.86 64.57 2npe h ILE 207 Cb 0.64 0.12 -0.03 0.00 -3.03 0.00 0.00 36.82 34.53 2npe h ILE 207 CO -0.35 0.13 0.25 -0.07 -0.68 0.00 0.00 178.15 177.43 2npe h LEU 208 N 0.70 0.41 0.45 1.44 3.38 0.26 0.35 115.31 122.30 2npe h LEU 208 Ca 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 2npe h LEU 208 Cb 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2npe h LEU 208 CO -0.25 0.30 -0.22 0.22 0.09 0.00 0.00 178.44 178.58 2npe h TYR 209 N 0.51 -0.56 -0.68 1.13 3.20 -0.17 0.39 116.97 120.78 2npe h TYR 209 Ca 0.17 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.13 2npe h TYR 209 Cb 0.00 0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.38 2npe h TYR 209 CO -0.07 -0.24 0.28 0.82 -1.64 0.00 0.00 178.16 177.31 2npe h ILE 210 N -0.95 0.75 0.00 1.81 1.08 -1.04 0.17 117.51 119.33 2npe h ILE 210 Ca -0.06 -0.16 -0.05 0.00 -0.39 0.00 0.00 64.86 64.20 2npe h ILE 210 Cb 0.58 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 2npe h ILE 210 CO 0.10 0.08 -0.22 1.23 -0.69 0.00 0.00 178.15 178.66 2npe h GLY 211 N 0.46 0.00 1.81 5.37 0.00 0.47 -1.92 103.07 109.27 2npe h GLY 211 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2npe h GLY 211 CO -0.33 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.08 2npe n TRP 212 N -4.01 0.00 -0.01 5.60 -0.00 0.13 -1.00 117.44 118.14 2npe n TRP 212 Ca -0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.33 2npe n TRP 212 Cb 0.30 -0.40 -0.04 0.00 -0.00 0.00 0.00 31.31 31.17 2npe n TRP 212 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2npe h PHE 213 N 0.00 0.94 -0.88 5.87 0.04 -1.35 0.11 116.94 121.67 2npe h PHE 213 Ca 0.00 -0.40 0.01 0.00 2.80 0.00 0.00 57.97 60.38 2npe h PHE 213 Cb 0.09 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 2npe h PHE 213 CO 0.00 1.21 0.57 0.78 -0.60 0.00 0.00 178.31 180.27 2npe h GLY 214 N 0.77 1.25 0.80 -1.45 0.00 -1.27 -0.56 103.07 102.62 2npe h GLY 214 Ca -0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 2npe h GLY 214 CO 0.14 0.47 -0.05 -2.75 0.00 0.00 0.00 176.54 174.35 2npe h PHE 215 N 1.20 -0.14 0.00 5.60 3.04 -1.34 0.24 116.94 125.54 2npe h PHE 215 Ca 0.32 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.27 2npe h PHE 215 Cb -0.12 0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.44 2npe h PHE 215 CO -0.01 0.09 -0.07 -0.91 -2.02 0.00 0.00 178.31 175.40 2npe h ASN 216 N -0.35 0.00 -0.61 0.41 2.35 -0.73 -3.22 115.58 113.43 2npe h ASN 216 Ca -0.01 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2npe h ASN 216 Cb 0.29 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 2npe h ASN 216 CO 0.02 0.49 0.39 0.00 -1.65 0.00 0.00 177.43 176.69 2npe h ALA 217 N -1.08 0.78 0.00 -0.83 0.00 -1.24 -0.90 119.26 115.99 2npe h ALA 217 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2npe h ALA 217 Cb 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2npe h ALA 217 CO 0.00 0.17 -0.00 0.78 0.00 0.00 0.00 179.25 180.20 2npe h GLY 218 N 0.79 0.00 2.00 0.00 0.00 -0.52 -0.73 103.07 104.62 2npe h GLY 218 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2npe h GLY 218 CO -0.07 0.00 0.00 1.76 0.00 0.00 0.00 176.54 178.23 2npe h SER 219 N 0.00 0.00 1.15 0.19 0.02 -1.16 0.71 113.55 114.45 2npe h SER 219 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2npe h SER 219 Cb 0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2npe h SER 219 CO 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 176.83 175.58 2npe h ALA 220 N 2.05 0.99 0.00 3.77 0.00 -1.26 -3.47 119.26 121.35 2npe h ALA 220 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2npe h ALA 220 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2npe h ALA 220 CO 0.00 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2npe n GLY 221 N 0.29 0.86 3.41 0.00 0.00 0.24 -4.96 105.19 105.03 2npe n GLY 221 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2npe n GLY 221 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2npe s THR 222 N -3.55 0.02 -1.32 2.61 -1.32 -1.26 -4.68 115.64 106.14 2npe s THR 222 Ca 0.00 -0.25 -0.08 0.00 -1.21 0.00 0.00 61.69 60.15 2npe s THR 222 Cb 0.00 -1.12 0.13 0.00 -1.51 0.00 0.00 72.50 70.00 2npe s THR 222 CO 0.00 -0.10 2.13 0.00 -2.21 0.00 0.00 174.62 174.44 2npe n ALA 223 N -0.34 6.00 -2.74 11.08 0.00 -1.26 -4.43 120.51 128.83 2npe n ALA 223 Ca -0.16 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.11 2npe n ALA 223 Cb 0.64 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 17.14 2npe n ALA 223 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2npe n ASN 224 N 3.21 1.32 0.14 0.00 6.94 -1.26 -4.97 115.26 120.64 2npe n ASN 224 Ca 0.50 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 55.19 2npe n ASN 224 Cb 0.32 0.00 0.29 0.00 -2.36 0.00 0.00 39.78 38.02 2npe n ASN 224 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2npe h GLU 225 N 0.00 0.00 0.19 -3.83 9.09 -1.99 -2.07 114.58 115.98 2npe h GLU 225 Ca 0.00 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.11 2npe h GLU 225 Cb 0.00 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.13 2npe h GLU 225 CO 0.00 0.00 -1.30 0.82 0.05 0.00 0.00 179.01 178.58 2npe h ILE 226 N 0.00 1.31 -0.55 -1.06 1.08 -1.95 -0.58 117.51 115.76 2npe h ILE 226 Ca 0.00 -2.58 0.08 0.00 -0.39 0.00 0.00 64.86 61.97 2npe h ILE 226 Cb 0.84 2.94 -0.07 0.00 -3.07 0.00 0.00 36.82 37.46 2npe h ILE 226 CO 0.00 0.77 0.19 0.00 -0.69 0.00 0.00 178.15 178.42 2npe h ALA 227 N 0.19 0.69 0.04 1.87 0.00 -1.76 0.47 119.26 120.76 2npe h ALA 227 Ca -0.22 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2npe h ALA 227 Cb 2.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 2npe h ALA 227 CO 0.25 -0.22 -0.09 0.00 0.00 0.00 0.00 179.25 179.19 2npe h ALA 228 N 1.38 -0.13 -0.16 0.00 0.00 -1.34 -0.92 119.26 118.09 2npe h ALA 228 Ca 0.27 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.23 2npe h ALA 228 Cb 0.33 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2npe h ALA 228 CO -0.29 -0.60 -0.18 1.25 0.00 0.00 0.00 179.25 179.44 2npe h LEU 229 N -0.18 -0.55 -0.81 0.00 5.85 -0.73 -1.81 115.31 117.08 2npe h LEU 229 Ca 0.02 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.96 2npe h LEU 229 Cb 0.20 0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 2npe h LEU 229 CO -0.06 -0.22 0.43 0.00 -0.34 0.00 0.00 178.44 178.25 2npe h ALA 230 N 0.85 1.18 0.55 1.25 0.00 0.41 -0.47 119.26 123.03 2npe h ALA 230 Ca 0.11 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2npe h ALA 230 Cb 0.36 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2npe h ALA 230 CO -0.28 -0.00 -0.26 0.35 0.00 0.00 0.00 179.25 179.05 2npe h PHE 231 N 0.69 -0.68 -0.67 0.00 3.04 -0.69 0.20 116.94 118.83 2npe h PHE 231 Ca 0.41 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.32 2npe h PHE 231 Cb 0.48 0.23 -0.03 0.00 2.56 0.00 0.00 35.95 39.18 2npe h PHE 231 CO -0.08 -0.36 0.29 0.28 -2.02 0.00 0.00 178.31 176.41 2npe h VAL 232 N -0.92 1.23 -0.67 1.41 2.07 -0.97 0.84 116.25 119.23 2npe h VAL 232 Ca -0.08 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 2npe h VAL 232 Cb 0.63 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2npe h VAL 232 CO 0.12 0.28 0.13 0.78 0.02 0.00 0.00 177.57 178.90 2npe h ASN 233 N 0.95 1.06 -0.81 0.57 2.35 -0.91 0.14 115.58 118.94 2npe h ASN 233 Ca 0.23 -0.25 0.17 0.00 -0.55 0.00 0.00 56.30 55.90 2npe h ASN 233 Cb 0.15 -0.28 -0.11 0.00 0.05 0.00 0.00 38.32 38.13 2npe h ASN 233 CO -0.02 1.04 0.31 0.74 -1.65 0.00 0.00 177.43 177.85 2npe h THR 234 N 1.03 0.56 0.04 2.81 2.02 0.18 -0.15 112.91 119.41 2npe h THR 234 Ca 0.21 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 2npe h THR 234 Cb 0.42 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2npe h THR 234 CO 0.01 0.07 -0.02 0.58 0.37 0.00 0.00 175.52 176.53 2npe h VAL 235 N 0.40 1.29 0.24 3.16 2.07 -0.77 -2.72 116.25 119.91 2npe h VAL 235 Ca 0.47 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 2npe h VAL 235 Cb 0.79 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2npe h VAL 235 CO -0.47 0.28 -0.19 0.58 0.02 0.00 0.00 177.57 177.79 2npe h VAL 236 N -0.56 0.00 -0.89 2.57 2.07 0.14 -1.70 116.25 117.89 2npe h VAL 236 Ca -0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.69 2npe h VAL 236 Cb 0.50 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.11 2npe h VAL 236 CO 0.01 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.37 2npe h ALA 237 N -1.50 0.58 -0.48 1.67 0.00 -1.18 -0.30 119.26 118.05 2npe h ALA 237 Ca -0.03 0.35 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2npe h ALA 237 Cb 0.35 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2npe h ALA 237 CO 0.00 -0.40 0.17 1.15 0.00 0.00 0.00 179.25 180.17 2npe h THR 238 N -0.00 1.22 -0.97 0.00 2.02 -1.25 0.23 112.91 114.15 2npe h THR 238 Ca 0.43 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2npe h THR 238 Cb 0.65 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 2npe h THR 238 CO -0.92 0.26 0.62 0.00 0.37 0.00 0.00 175.52 175.85 2npe h ALA 239 N 1.02 1.26 -0.14 6.16 0.00 -0.16 0.15 119.26 127.54 2npe h ALA 239 Ca 0.16 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2npe h ALA 239 Cb 0.24 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2npe h ALA 239 CO -0.01 0.66 -0.63 0.00 0.00 0.00 0.00 179.25 179.28 2npe h ALA 240 N 1.35 0.63 -0.19 0.00 0.00 -0.41 -1.63 119.26 119.01 2npe h ALA 240 Ca 0.35 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2npe h ALA 240 Cb -0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2npe h ALA 240 CO -0.07 0.71 -0.10 0.00 0.00 0.00 0.00 179.25 179.79 2npe h ALA 241 N 0.93 0.27 -0.40 0.00 0.00 0.01 -0.29 119.26 119.78 2npe h ALA 241 Ca -0.01 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.69 2npe h ALA 241 Cb 1.19 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 2npe h ALA 241 CO 0.12 0.11 -0.30 0.82 0.00 0.00 0.00 179.25 179.99 2npe h ILE 242 N 0.10 0.26 -0.96 0.00 2.04 -0.66 0.15 117.51 118.43 2npe h ILE 242 Ca 0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2npe h ILE 242 Cb 0.60 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 2npe h ILE 242 CO 0.03 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.74 2npe h LEU 243 N -0.23 1.09 -0.26 1.44 3.38 -1.22 -1.92 115.31 117.59 2npe h LEU 243 Ca 0.18 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 2npe h LEU 243 Cb 0.52 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2npe h LEU 243 CO -0.53 0.79 -0.24 1.23 0.09 0.00 0.00 178.44 179.77 2npe h GLY 244 N 1.29 0.67 0.23 0.83 0.00 -0.22 0.19 103.07 106.05 2npe h GLY 244 Ca 0.35 -0.68 0.02 0.00 0.00 0.00 0.00 47.33 47.02 2npe h GLY 244 CO -0.08 0.61 -0.47 -0.25 0.00 0.00 0.00 176.54 176.36 2npe h TRP 245 N 0.33 -1.32 -0.49 5.60 2.91 -0.70 -1.74 115.95 120.54 2npe h TRP 245 Ca 0.04 0.03 0.10 0.00 1.13 0.00 0.00 58.89 60.19 2npe h TRP 245 Cb 0.80 0.56 -0.09 0.00 -0.51 0.00 0.00 29.16 29.92 2npe h TRP 245 CO 0.07 -0.56 -0.09 0.82 -1.03 0.00 0.00 178.44 177.66 2npe h ILE 246 N -0.71 0.54 -0.56 2.65 1.08 -1.19 0.39 117.51 119.71 2npe h ILE 246 Ca 0.01 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2npe h ILE 246 Cb 0.72 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 2npe h ILE 246 CO -0.25 0.01 0.33 0.15 -0.69 0.00 0.00 178.15 177.69 2npe h PHE 247 N 0.03 0.74 -0.40 1.37 3.57 -0.57 0.36 116.94 122.04 2npe h PHE 247 Ca 0.24 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 2npe h PHE 247 Cb 0.36 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2npe h PHE 247 CO -0.38 0.52 -0.09 0.78 -2.23 0.00 0.00 178.31 176.90 2npe h GLY 248 N 0.75 0.76 0.46 2.40 0.00 -0.29 0.15 103.07 107.31 2npe h GLY 248 Ca 0.20 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2npe h GLY 248 CO -0.04 0.51 -0.02 -2.09 0.00 0.00 0.00 176.54 174.90 2npe h GLU 249 N 0.65 0.03 -0.77 4.80 4.81 0.08 -0.71 114.58 123.47 2npe h GLU 249 Ca 0.12 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.50 2npe h GLU 249 Cb 0.54 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.81 2npe h GLU 249 CO 0.03 0.58 0.21 2.35 -0.73 0.00 0.00 179.01 181.46 2npe h TRP 250 N -0.52 0.34 -0.12 0.92 7.01 -0.17 0.33 115.95 123.74 2npe h TRP 250 Ca 0.00 0.04 -0.18 0.00 2.11 0.00 0.00 58.89 60.86 2npe h TRP 250 Cb 0.58 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.60 2npe h TRP 250 CO 0.12 -0.08 -0.68 0.00 -2.79 0.00 0.00 178.44 175.02 2npe h ALA 251 N 1.63 0.59 0.07 2.65 0.00 -0.50 -1.24 119.26 122.45 2npe h ALA 251 Ca 0.44 -0.58 -0.34 0.00 0.00 0.00 0.00 54.91 54.44 2npe h ALA 251 Cb 0.76 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2npe h ALA 251 CO -0.51 0.73 -1.89 1.28 0.00 0.00 0.00 179.25 178.86 2npe n LEU 252 N -3.89 1.91 -0.41 0.00 4.77 -0.29 -4.43 117.00 114.67 2npe n LEU 252 Ca -0.04 0.29 0.06 0.00 -0.03 0.00 0.00 56.01 56.28 2npe n LEU 252 Cb 0.68 -0.59 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2npe n LEU 252 CO 0.48 0.67 0.38 0.54 -1.33 0.00 0.00 177.39 178.13 2npe n ARG 253 N -3.30 0.95 0.00 3.23 1.74 0.11 -5.00 116.66 114.39 2npe n ARG 253 Ca -0.26 -1.05 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 2npe n ARG 253 Cb 1.05 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.30 2npe n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2npe n GLY 254 N 0.72 2.98 3.60 -0.13 0.00 -0.47 -4.94 105.19 106.94 2npe n GLY 254 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 2npe n GLY 254 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2npe s LYS 255 N -0.29 0.87 1.17 1.61 -2.85 -1.24 -4.86 119.74 114.16 2npe s LYS 255 Ca 0.00 0.74 -0.13 0.00 -1.00 0.00 0.00 55.97 55.58 2npe s LYS 255 Cb 0.00 0.42 0.29 0.00 -2.06 0.00 0.00 37.83 36.48 2npe s LYS 255 CO 0.00 -0.16 1.03 -1.25 0.10 0.00 0.00 175.35 175.06 2npe s PRO 256 N -0.11 -1.00 0.20 1.78 0.04 -1.26 -4.03 135.00 130.61 2npe s PRO 256 Ca -0.03 0.77 -0.18 0.00 0.04 0.00 0.00 61.00 61.61 2npe s PRO 256 Cb -0.03 -1.55 0.03 0.00 0.04 0.00 0.00 34.50 32.99 2npe s PRO 256 CO 0.03 -3.76 0.53 -1.54 0.04 0.00 0.00 177.00 172.30 2npe s SER 257 N -2.57 -0.27 0.09 6.66 1.04 -1.26 -4.97 113.70 112.42 2npe s SER 257 Ca 0.68 -0.47 -0.14 0.00 0.48 0.00 0.00 55.95 56.51 2npe s SER 257 Cb -0.25 0.58 -0.15 0.00 0.10 0.00 0.00 66.02 66.30 2npe s SER 257 CO 0.65 -1.06 1.30 0.25 0.98 0.00 0.00 173.24 175.35 2npe h LEU 258 N 2.18 0.87 -0.62 2.42 5.85 -1.99 -0.20 115.31 123.82 2npe h LEU 258 Ca -0.29 -0.62 -0.13 0.00 0.84 0.00 0.00 57.88 57.69 2npe h LEU 258 Cb 1.26 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2npe h LEU 258 CO 0.37 1.35 -0.26 0.25 -0.34 0.00 0.00 178.44 179.80 2npe h LEU 259 N 0.45 0.83 -1.27 2.25 5.85 -1.97 -1.02 115.31 120.43 2npe h LEU 259 Ca -0.04 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.40 2npe h LEU 259 Cb 1.31 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 2npe h LEU 259 CO 0.14 1.05 0.51 1.23 -0.34 0.00 0.00 178.44 181.03 2npe h GLY 260 N 0.94 1.09 0.57 3.75 0.00 -1.89 0.12 103.07 107.66 2npe h GLY 260 Ca 0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2npe h GLY 260 CO 0.07 0.31 -0.16 0.00 0.00 0.00 0.00 176.54 176.76 2npe h ALA 261 N 1.55 -0.44 -0.72 3.60 0.00 -0.46 -1.64 119.26 121.15 2npe h ALA 261 Ca 0.32 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2npe h ALA 261 Cb 0.08 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2npe h ALA 261 CO -0.10 -0.53 0.36 0.00 0.00 0.00 0.00 179.25 178.99 2npe h SER 263 N 0.62 0.06 -0.32 0.00 0.02 -0.75 -0.88 113.55 112.30 2npe h SER 263 Ca 0.35 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.45 2npe h SER 263 Cb 0.36 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.92 2npe h SER 263 CO -0.27 0.06 -0.28 1.23 -1.14 0.00 0.00 176.83 176.44 2npe h GLY 264 N 0.27 -0.19 0.68 -3.77 0.00 -0.54 0.89 103.07 100.41 2npe h GLY 264 Ca 0.24 0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.96 2npe h GLY 264 CO -0.29 -0.21 0.13 0.00 0.00 0.00 0.00 176.54 176.17 2npe h ALA 265 N 0.79 0.43 -0.60 3.60 0.00 -0.27 -1.70 119.26 121.51 2npe h ALA 265 Ca 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2npe h ALA 265 Cb 0.50 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2npe h ALA 265 CO -0.46 -0.26 0.28 0.82 0.00 0.00 0.00 179.25 179.63 2npe h ILE 266 N 0.28 1.21 -0.69 0.00 1.08 -0.23 -0.76 117.51 118.41 2npe h ILE 266 Ca 0.17 -0.61 0.06 0.00 -0.39 0.00 0.00 64.86 64.09 2npe h ILE 266 Cb 0.14 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.37 2npe h ILE 266 CO -0.17 0.25 0.45 0.00 -0.69 0.00 0.00 178.15 177.99 2npe h ALA 267 N 1.12 1.72 -0.03 1.87 0.00 -0.42 0.81 119.26 124.33 2npe h ALA 267 Ca 0.20 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2npe h ALA 267 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2npe h ALA 267 CO -0.02 0.17 -0.79 0.78 0.00 0.00 0.00 179.25 179.39 2npe h GLY 268 N 0.72 0.27 0.58 0.00 0.00 -0.25 -1.23 103.07 103.15 2npe h GLY 268 Ca 0.29 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2npe h GLY 268 CO -0.09 0.38 -0.07 1.41 0.00 0.00 0.00 176.54 178.16 2npe h LEU 269 N 0.15 -0.17 0.06 3.11 3.38 -0.44 0.58 115.31 121.98 2npe h LEU 269 Ca -0.03 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.65 2npe h LEU 269 Cb 1.38 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.14 2npe h LEU 269 CO 0.12 0.25 -0.23 0.58 0.09 0.00 0.00 178.44 179.25 2npe h VAL 270 N -0.63 0.48 -0.93 1.22 2.07 -0.95 -1.52 116.25 115.98 2npe h VAL 270 Ca -0.02 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.64 2npe h VAL 270 Cb 0.47 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 2npe h VAL 270 CO 0.03 0.00 0.59 1.23 0.02 0.00 0.00 177.57 179.45 2npe h GLY 271 N -0.39 1.36 1.80 2.17 0.00 -0.94 -1.01 103.07 106.05 2npe h GLY 271 Ca 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2npe h GLY 271 CO -0.17 0.10 -0.24 -0.24 0.00 0.00 0.00 176.54 175.99 2npe h VAL 272 N 0.78 0.06 -0.47 4.60 3.04 -0.64 -3.37 116.25 120.25 2npe h VAL 272 Ca 0.47 -1.09 0.07 0.00 -1.01 0.00 0.00 66.70 65.14 2npe h VAL 272 Cb 0.67 1.93 -0.09 0.00 -2.01 0.00 0.00 31.29 31.79 2npe h VAL 272 CO -0.23 0.04 -0.47 0.74 -1.01 0.00 0.00 177.57 176.63 2npe h THR 273 N 0.00 0.07 0.00 3.17 2.02 -0.12 0.49 112.91 118.54 2npe h THR 273 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2npe h THR 273 Cb 1.03 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2npe h THR 273 CO 0.00 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.08 2npe n PRO 274 N -5.40 0.16 0.00 6.66 -0.04 -1.26 -2.79 135.00 132.34 2npe n PRO 274 Ca -0.01 0.11 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 2npe n PRO 274 Cb 0.35 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 2npe n PRO 274 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2npe n ALA 275 N -1.38 3.01 -0.32 0.55 0.00 0.13 -1.55 120.51 120.95 2npe n ALA 275 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.20 2npe n ALA 275 Cb 0.20 -0.31 0.10 0.00 0.00 0.00 0.00 19.45 19.44 2npe n ALA 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2npe n GLY 277 N -1.34 -0.65 0.00 0.00 0.00 -1.26 -3.97 105.19 97.98 2npe n GLY 277 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2npe n GLY 277 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2npe n TYR 278 N -0.52 0.00 -4.11 1.61 4.01 -0.54 -4.86 117.16 112.75 2npe n TYR 278 Ca 0.17 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.69 2npe n TYR 278 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 2npe n TYR 278 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2npe s ILE 279 N -1.02 4.50 0.46 -0.72 -4.36 -1.11 0.06 121.20 119.01 2npe s ILE 279 Ca 0.00 -1.36 -0.22 0.00 -0.26 0.00 0.00 60.65 58.81 2npe s ILE 279 Cb 0.00 -3.42 -0.08 0.00 1.25 0.00 0.00 42.46 40.21 2npe s ILE 279 CO 0.00 -0.33 1.10 -0.83 0.24 0.00 0.00 174.94 175.12 2npe s GLY 280 N -3.80 2.70 0.49 6.27 0.00 -0.93 -4.77 107.32 107.27 2npe s GLY 280 Ca 0.33 0.79 0.21 0.00 0.00 0.00 0.00 44.72 46.05 2npe s GLY 280 CO 0.25 1.20 1.97 -0.39 0.00 0.00 0.00 173.10 176.14 2npe h VAL 281 N 1.81 0.78 -0.42 1.40 -1.51 -1.95 0.59 116.25 116.95 2npe h VAL 281 Ca -0.49 -0.06 0.04 0.00 -1.23 0.00 0.00 66.70 64.96 2npe h VAL 281 Cb 1.24 0.58 -0.06 0.00 -2.13 0.00 0.00 31.29 30.92 2npe h VAL 281 CO 0.60 0.03 -0.34 1.23 -1.23 0.00 0.00 177.57 177.87 2npe h GLY 282 N 0.18 -1.53 2.00 5.19 0.00 -1.92 -0.90 103.07 106.10 2npe h GLY 282 Ca 0.29 0.87 -0.08 0.00 0.00 0.00 0.00 47.33 48.40 2npe h GLY 282 CO -0.05 -0.39 -0.38 -1.33 0.00 0.00 0.00 176.54 174.39 2npe h GLY 283 N -0.11 0.00 0.72 4.60 0.00 -0.18 -1.44 103.07 106.65 2npe h GLY 283 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2npe h GLY 283 CO -0.45 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 175.85 2npe h ALA 284 N 1.62 -0.48 0.00 3.60 0.00 0.01 0.70 119.26 124.71 2npe h ALA 284 Ca -0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2npe h ALA 284 Cb 0.68 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2npe h ALA 284 CO 0.05 -0.80 -0.32 1.25 0.00 0.00 0.00 179.25 179.43 2npe h LEU 285 N -0.50 0.00 -0.33 0.00 6.46 -0.11 0.22 115.31 121.06 2npe h LEU 285 Ca -0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 2npe h LEU 285 Cb 0.47 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 2npe h LEU 285 CO -0.06 0.32 -0.14 0.40 -0.62 0.00 0.00 178.44 178.33 2npe h ILE 286 N 0.00 1.29 -0.04 4.05 2.04 -1.08 -2.15 117.51 121.62 2npe h ILE 286 Ca -0.00 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.63 2npe h ILE 286 Cb 0.61 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 2npe h ILE 286 CO 0.04 0.40 -0.07 0.40 0.00 0.00 0.00 178.15 178.92 2npe h ILE 287 N 0.44 0.81 -0.24 -0.67 2.04 -0.03 -1.85 117.51 118.01 2npe h ILE 287 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 2npe h ILE 287 Cb 0.67 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2npe h ILE 287 CO 0.05 0.00 -0.04 1.23 0.00 0.00 0.00 178.15 179.39 2npe h GLY 288 N -0.10 0.19 0.51 5.37 0.00 -0.53 0.38 103.07 108.89 2npe h GLY 288 Ca 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 2npe h GLY 288 CO -0.10 -0.07 -0.44 -2.08 0.00 0.00 0.00 176.54 173.84 2npe h VAL 289 N 0.03 0.12 -0.64 4.60 2.07 -1.29 -0.76 116.25 120.37 2npe h VAL 289 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2npe h VAL 289 Cb 0.16 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 2npe h VAL 289 CO -0.22 0.00 0.36 0.58 0.02 0.00 0.00 177.57 178.30 2npe h VAL 290 N -0.86 1.19 0.01 2.57 2.07 -0.74 0.25 116.25 120.74 2npe h VAL 290 Ca -0.04 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2npe h VAL 290 Cb 0.78 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2npe h VAL 290 CO -0.10 0.21 -0.00 0.00 0.02 0.00 0.00 177.57 177.70 2npe h ALA 291 N 1.50 -0.01 -0.87 1.67 0.00 -0.01 0.16 119.26 121.70 2npe h ALA 291 Ca 0.23 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2npe h ALA 291 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2npe h ALA 291 CO -0.04 -0.35 0.55 0.78 0.00 0.00 0.00 179.25 180.19 2npe h GLY 292 N -0.32 1.30 0.69 0.00 0.00 -0.53 0.65 103.07 104.86 2npe h GLY 292 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2npe h GLY 292 CO 0.00 0.30 -0.00 1.41 0.00 0.00 0.00 176.54 178.25 2npe h LEU 293 N 1.02 0.02 -0.31 3.11 3.38 -0.72 -2.33 115.31 119.49 2npe h LEU 293 Ca 0.37 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 58.08 2npe h LEU 293 Cb 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2npe h LEU 293 CO -0.16 0.33 0.02 0.00 0.09 0.00 0.00 178.44 178.72 2npe h ALA 294 N 0.69 0.29 -0.01 1.53 0.00 -0.37 0.12 119.26 121.51 2npe h ALA 294 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2npe h ALA 294 Cb 0.32 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2npe h ALA 294 CO 0.00 -0.39 -0.35 0.78 0.00 0.00 0.00 179.25 179.29 2npe h GLY 295 N 0.11 -0.59 0.16 0.00 0.00 0.36 1.16 103.07 104.27 2npe h GLY 295 Ca 0.15 0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.94 2npe h GLY 295 CO -0.23 -0.24 -0.34 -2.00 0.00 0.00 0.00 176.54 173.73 2npe h LEU 296 N -0.50 -1.06 -0.42 3.11 5.85 -1.14 -0.89 115.31 120.28 2npe h LEU 296 Ca 0.06 0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.98 2npe h LEU 296 Cb 0.59 0.44 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 2npe h LEU 296 CO -0.29 -0.38 0.12 -0.25 -0.34 0.00 0.00 178.44 177.30 2npe h TRP 297 N -0.44 0.21 -0.10 1.25 7.01 0.03 -0.37 115.95 123.55 2npe h TRP 297 Ca 0.08 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.12 2npe h TRP 297 Cb 0.57 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.58 2npe h TRP 297 CO -0.41 0.07 -0.10 0.78 -2.79 0.00 0.00 178.44 175.99 2npe h GLY 298 N 0.27 -1.92 0.55 2.65 0.00 0.22 -1.11 103.07 103.73 2npe h GLY 298 Ca 0.20 0.88 0.08 0.00 0.00 0.00 0.00 47.33 48.49 2npe h GLY 298 CO -0.22 -0.68 0.40 -0.39 0.00 0.00 0.00 176.54 175.65 2npe h VAL 299 N -0.06 0.91 -1.00 4.60 -1.51 -1.04 0.77 116.25 118.92 2npe h VAL 299 Ca 0.02 -0.24 0.24 0.00 -1.23 0.00 0.00 66.70 65.49 2npe h VAL 299 Cb 0.10 0.14 -0.08 0.00 -2.13 0.00 0.00 31.29 29.32 2npe h VAL 299 CO -0.12 0.13 0.65 0.74 -1.23 0.00 0.00 177.57 177.74 2npe h THR 300 N 0.70 0.58 0.02 7.19 2.02 -0.66 -1.55 112.91 121.21 2npe h THR 300 Ca 0.35 -0.13 -0.17 0.00 0.77 0.00 0.00 66.41 67.23 2npe h THR 300 Cb 0.31 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2npe h THR 300 CO -0.24 0.07 -0.67 0.24 0.37 0.00 0.00 175.52 175.30 2npe h MET 301 N 0.39 0.42 -5.16 6.66 2.86 0.41 -3.41 114.93 117.10 2npe h MET 301 Ca 0.55 -0.47 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2npe h MET 301 Cb 1.40 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 33.18 2npe h MET 301 CO -0.24 1.14 0.43 1.28 1.06 0.00 0.00 176.91 180.57 2npe n LEU 302 N -4.18 0.69 0.00 1.22 4.77 -0.58 -3.25 117.00 115.67 2npe n LEU 302 Ca -0.11 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 2npe n LEU 302 Cb 0.71 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 2npe n LEU 302 CO 0.48 -2.69 0.00 2.29 -1.33 0.00 0.00 177.39 176.13 2npe n LYS 303 N 7.56 0.00 -4.35 3.23 -0.00 -1.26 -4.93 118.16 118.42 2npe n LYS 303 Ca 0.42 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.40 2npe n LYS 303 Cb 0.41 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.29 2npe n LYS 303 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2npe s ARG 304 N 0.00 3.30 0.00 -1.58 6.06 -1.20 -5.13 118.95 120.40 2npe s ARG 304 Ca 0.00 -0.70 0.00 0.00 -2.50 0.00 0.00 55.73 52.53 2npe s ARG 304 Cb 0.00 -2.75 0.00 0.00 0.06 0.00 0.00 34.95 32.26 2npe s ARG 304 CO 0.00 -0.02 0.00 -0.25 -2.50 0.00 0.00 175.30 172.53 2npe n ASP 310 N 4.20 0.00 -1.09 -2.12 8.00 -1.26 -5.11 116.55 119.17 2npe n ASP 310 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2npe n ASP 310 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2npe n ASP 310 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2npe n PRO 311 N 0.00 0.61 0.00 -0.24 -0.04 -1.26 -4.84 135.00 129.23 2npe n PRO 311 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2npe n PRO 311 Cb 0.00 -1.19 0.68 0.00 -0.04 0.00 0.00 33.50 32.94 2npe n PRO 311 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2npe h ASP 313 N 0.00 0.37 -0.97 0.00 3.32 -1.96 -2.63 116.42 114.55 2npe h ASP 313 Ca 0.00 -0.12 0.31 0.00 0.02 0.00 0.00 57.03 57.24 2npe h ASP 313 Cb 0.00 -0.10 -0.17 0.00 0.22 0.00 0.00 39.33 39.28 2npe h ASP 313 CO 0.00 0.62 0.28 0.58 -1.72 0.00 0.00 179.24 179.00 2npe h VAL 314 N 0.34 0.11 -0.53 -1.35 2.07 -1.98 1.07 116.25 115.98 2npe h VAL 314 Ca 0.05 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 2npe h VAL 314 Cb 0.61 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2npe h VAL 314 CO 0.04 0.02 0.11 -0.26 0.02 0.00 0.00 177.57 177.50 2npe h PHE 315 N 0.09 0.86 -0.01 1.57 0.04 -1.73 0.20 116.94 117.96 2npe h PHE 315 Ca 0.67 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 61.36 2npe h PHE 315 Cb 1.54 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 39.45 2npe h PHE 315 CO -0.25 0.73 0.00 0.78 -0.60 0.00 0.00 178.31 178.98 2npe h GLY 316 N 0.97 0.01 0.83 -1.45 0.00 0.10 0.49 103.07 104.02 2npe h GLY 316 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 2npe h GLY 316 CO 0.00 0.01 -0.42 -2.08 0.00 0.00 0.00 176.54 174.04 2npe h VAL 317 N -0.13 0.00 -0.86 4.60 2.07 -0.81 0.22 116.25 121.33 2npe h VAL 317 Ca 0.00 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.75 2npe h VAL 317 Cb 0.14 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.78 2npe h VAL 317 CO -0.00 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.81 2npe h ALA 318 N -1.41 1.23 -0.04 1.67 0.00 -0.63 0.12 119.26 120.20 2npe h ALA 318 Ca -0.11 0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2npe h ALA 318 Cb 0.89 0.31 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2npe h ALA 318 CO 0.17 -0.45 -0.39 0.78 0.00 0.00 0.00 179.25 179.36 2npe h GLY 319 N 0.21 0.38 0.81 0.00 0.00 0.15 -0.95 103.07 103.67 2npe h GLY 319 Ca 0.53 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 2npe h GLY 319 CO -0.64 0.52 -0.21 -2.08 0.00 0.00 0.00 176.54 174.13 2npe h VAL 320 N -0.18 1.34 -0.22 4.60 2.07 -0.25 0.13 116.25 123.74 2npe h VAL 320 Ca -0.04 -1.39 -0.17 0.00 0.82 0.00 0.00 66.70 65.92 2npe h VAL 320 Cb 1.08 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2npe h VAL 320 CO 0.08 0.42 -0.54 0.00 0.02 0.00 0.00 177.57 177.55 2npe h GLY 322 N 0.95 -0.35 0.36 0.00 0.00 -1.06 0.12 103.07 103.09 2npe h GLY 322 Ca 0.01 0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.64 2npe h GLY 322 CO 0.11 -0.16 0.39 -2.22 0.00 0.00 0.00 176.54 174.66 2npe h ILE 323 N -0.36 0.79 0.27 2.60 2.04 -0.44 -1.74 117.51 120.67 2npe h ILE 323 Ca -0.00 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2npe h ILE 323 Cb 0.33 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2npe h ILE 323 CO -0.03 0.11 -0.13 0.58 0.00 0.00 0.00 178.15 178.68 2npe h VAL 324 N 0.61 0.78 -0.47 1.67 2.07 -0.52 -2.08 116.25 118.32 2npe h VAL 324 Ca 0.40 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2npe h VAL 324 Cb 0.49 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2npe h VAL 324 CO -0.31 0.08 0.31 1.23 0.02 0.00 0.00 177.57 178.90 2npe h GLY 325 N -0.57 0.66 1.50 2.17 0.00 -0.62 -0.80 103.07 105.41 2npe h GLY 325 Ca -0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 2npe h GLY 325 CO 0.06 0.24 -0.51 0.00 0.00 0.00 0.00 176.54 176.33 2npe h ILE 327 N 0.42 1.35 0.00 0.00 2.04 -0.95 -3.28 117.51 117.09 2npe h ILE 327 Ca 0.02 -1.57 -0.04 0.00 1.00 0.00 0.00 64.86 64.26 2npe h ILE 327 Cb 1.03 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 2npe h ILE 327 CO 0.09 0.47 -0.18 0.24 0.00 0.00 0.00 178.15 178.78 2npe h MET 328 N 0.12 0.00 -0.93 2.37 2.86 -1.11 -1.37 114.93 116.87 2npe h MET 328 Ca 0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 2npe h MET 328 Cb 0.92 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.51 2npe h MET 328 CO 0.07 0.18 0.60 1.15 1.06 0.00 0.00 176.91 179.98 2npe h THR 329 N 0.00 1.04 0.00 2.22 2.02 -1.00 0.26 112.91 117.45 2npe h THR 329 Ca -0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2npe h THR 329 Cb 0.77 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2npe h THR 329 CO 0.02 0.19 0.00 0.61 0.37 0.00 0.00 175.52 176.71 2npe n GLY 330 N -1.39 -0.68 0.81 2.16 0.00 -0.52 -2.17 105.19 103.41 2npe n GLY 330 Ca 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 2npe n GLY 330 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2npe n ILE 331 N -0.94 1.07 0.33 -0.61 5.41 -0.80 -4.55 119.36 119.28 2npe n ILE 331 Ca 0.14 0.31 0.22 0.00 1.00 0.00 0.00 62.75 64.42 2npe n ILE 331 Cb 0.07 -1.66 1.16 0.00 -0.71 0.00 0.00 39.64 38.50 2npe n ILE 331 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2npe h PHE 332 N -0.20 0.00 0.00 1.39 0.04 -0.55 -2.25 116.94 115.37 2npe h PHE 332 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2npe h PHE 332 Cb 0.20 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 2npe h PHE 332 CO -0.08 0.00 -0.06 0.00 -0.60 0.00 0.00 178.31 177.57 2npe h ALA 333 N 1.93 1.16 -1.83 2.45 0.00 -1.62 -3.25 119.26 118.10 2npe h ALA 333 Ca 0.00 -0.05 -0.62 0.00 0.00 0.00 0.00 54.91 54.25 2npe h ALA 333 Cb 0.08 -0.01 0.11 0.00 0.00 0.00 0.00 17.79 17.98 2npe h ALA 333 CO -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 179.25 179.28 2npe n ALA 334 N -2.19 -0.80 0.22 0.00 0.00 -0.85 0.02 120.51 116.92 2npe n ALA 334 Ca -0.02 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.64 2npe n ALA 334 Cb 0.20 -1.93 -0.08 0.00 0.00 0.00 0.00 19.45 17.65 2npe n ALA 334 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2npe h SER 335 N 1.67 -0.93 -0.45 0.00 0.02 -1.87 0.43 113.55 112.43 2npe h SER 335 Ca -0.38 0.08 0.08 0.00 -0.84 0.00 0.00 61.79 60.73 2npe h SER 335 Cb 1.36 0.31 -0.08 0.00 0.14 0.00 0.00 62.40 64.14 2npe h SER 335 CO 0.59 -0.48 -0.14 -1.20 -1.14 0.00 0.00 176.83 174.45 2npe n SER 336 N -5.45 -0.22 -1.84 3.07 7.64 -1.26 -0.51 113.62 115.05 2npe n SER 336 Ca -0.10 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2npe n SER 336 Cb 0.36 -0.21 0.32 0.00 -1.01 0.00 0.00 64.21 63.67 2npe n SER 336 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2npe n LEU 337 N -4.70 5.52 0.00 -3.43 4.77 -0.76 -4.81 117.00 113.59 2npe n LEU 337 Ca 0.06 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 2npe n LEU 337 Cb 0.20 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 2npe n LEU 337 CO -0.06 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2npe n GLY 338 N 0.23 0.71 3.76 -0.72 0.00 0.33 -4.51 105.19 104.99 2npe n GLY 338 Ca 0.31 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 2npe n GLY 338 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2npe n GLY 339 N -2.51 0.14 0.00 -0.02 0.00 0.14 -2.20 105.19 100.75 2npe n GLY 339 Ca 0.00 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.20 2npe n GLY 339 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2npe n VAL 340 N -3.05 0.07 0.00 1.61 0.24 0.11 -4.33 118.33 112.99 2npe n VAL 340 Ca 0.16 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 2npe n VAL 340 Cb 0.57 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 2npe n VAL 340 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2npe n GLY 341 N 1.39 2.96 3.89 7.63 0.00 0.10 -4.86 105.19 116.29 2npe n GLY 341 Ca 0.07 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 2npe n GLY 341 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2npe s PHE 342 N -1.83 3.35 1.02 1.61 0.08 -1.26 -4.80 117.98 116.14 2npe s PHE 342 Ca 0.00 1.00 -0.17 0.00 0.12 0.00 0.00 56.93 57.88 2npe s PHE 342 Cb 0.00 -2.97 -0.02 0.00 -0.57 0.00 0.00 43.02 39.46 2npe s PHE 342 CO 0.00 -1.06 -0.24 0.00 -0.10 0.00 0.00 175.22 173.82 2npe n ALA 343 N -2.90 -4.10 -1.81 5.36 0.00 -1.26 -4.86 120.51 110.94 2npe n ALA 343 Ca 0.06 -0.93 -0.37 0.00 0.00 0.00 0.00 53.44 52.21 2npe n ALA 343 Cb 0.57 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 2npe n ALA 343 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2npe s GLU 344 N -3.01 4.56 0.00 0.00 2.02 -1.26 -2.49 118.70 118.51 2npe s GLU 344 Ca 0.50 1.29 0.00 0.00 0.02 0.00 0.00 54.97 56.78 2npe s GLU 344 Cb -0.13 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.29 2npe s GLU 344 CO 0.70 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.68 2npe n GLY 345 N 0.57 0.46 3.40 -1.39 0.00 -1.26 -4.99 105.19 101.99 2npe n GLY 345 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2npe n GLY 345 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2npe s VAL 346 N -2.33 4.47 0.64 1.61 1.01 -1.04 -5.08 120.40 119.68 2npe s VAL 346 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 2npe s VAL 346 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2npe s VAL 346 CO 0.00 -0.02 1.04 0.42 0.00 0.00 0.00 175.10 176.55 2npe s THR 347 N 1.57 4.28 0.24 3.92 -4.23 -1.26 -4.70 115.64 115.46 2npe s THR 347 Ca 0.03 0.81 -0.05 0.00 -1.18 0.00 0.00 61.69 61.30 2npe s THR 347 Cb -0.18 -3.58 0.14 0.00 1.34 0.00 0.00 72.50 70.22 2npe s THR 347 CO 0.06 -0.90 1.77 -0.03 -0.54 0.00 0.00 174.62 174.98 2npe h MET 348 N -0.31 0.99 -0.69 3.99 4.05 -1.98 0.42 114.93 121.40 2npe h MET 348 Ca -0.44 -0.22 0.06 0.00 -0.28 0.00 0.00 59.70 58.81 2npe h MET 348 Cb 1.20 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 31.81 2npe h MET 348 CO 0.59 0.88 0.40 0.78 0.23 0.00 0.00 176.91 179.79 2npe h GLY 349 N 1.04 1.02 0.69 1.39 0.00 -1.94 -2.23 103.07 103.05 2npe h GLY 349 Ca 0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 2npe h GLY 349 CO -0.00 0.18 -0.12 0.84 0.00 0.00 0.00 176.54 177.44 2npe h HIS 350 N 0.74 0.34 -0.90 5.60 6.17 -1.68 -2.86 115.15 122.55 2npe h HIS 350 Ca 0.31 -0.10 0.22 0.00 0.71 0.00 0.00 60.37 61.50 2npe h HIS 350 Cb 0.17 -0.07 -0.06 0.00 2.52 0.00 0.00 27.41 29.97 2npe h HIS 350 CO -0.07 0.70 0.61 0.37 0.71 0.00 0.00 177.93 180.26 2npe h GLN 351 N -0.12 0.26 0.07 5.26 5.75 -0.63 -2.05 115.11 123.65 2npe h GLN 351 Ca 0.02 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2npe h GLN 351 Cb 0.65 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.14 2npe h GLN 351 CO 0.03 0.17 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.28 2npe h LEU 352 N 0.27 -0.08 -0.87 -2.39 3.38 -1.19 0.15 115.31 114.59 2npe h LEU 352 Ca 0.46 -0.38 0.22 0.00 0.09 0.00 0.00 57.88 58.27 2npe h LEU 352 Cb 1.35 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.97 2npe h LEU 352 CO -0.13 0.35 0.05 -0.07 0.09 0.00 0.00 178.44 178.73 2npe h LEU 353 N -0.52 -0.34 -0.27 1.67 -0.00 -1.29 0.19 115.31 114.74 2npe h LEU 353 Ca -0.01 0.23 -0.04 0.00 -0.00 0.00 0.00 57.88 58.06 2npe h LEU 353 Cb 0.45 0.39 -0.01 0.00 -0.00 0.00 0.00 40.66 41.49 2npe h LEU 353 CO 0.02 -0.24 0.03 0.58 -0.00 0.00 0.00 178.44 178.82 2npe h VAL 354 N 0.09 1.24 -0.81 1.22 2.07 -0.79 0.12 116.25 119.40 2npe h VAL 354 Ca 0.51 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 67.24 2npe h VAL 354 Cb 0.97 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 2npe h VAL 354 CO -0.76 0.27 0.49 1.56 0.02 0.00 0.00 177.57 179.15 2npe h GLN 355 N 0.27 0.85 -0.64 1.57 1.08 0.53 -1.55 115.11 117.23 2npe h GLN 355 Ca 0.08 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 2npe h GLN 355 Cb 0.37 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2npe h GLN 355 CO 0.01 0.57 0.07 -0.07 -0.95 0.00 0.00 178.83 178.45 2npe h LEU 356 N 0.88 1.05 -1.17 1.46 3.38 -0.18 -1.55 115.31 119.17 2npe h LEU 356 Ca 0.36 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2npe h LEU 356 Cb 0.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2npe h LEU 356 CO -0.19 1.06 -0.18 -0.33 0.09 0.00 0.00 178.44 178.90 2npe h GLU 357 N 1.00 0.36 -0.03 1.13 5.08 -0.27 -0.31 114.58 121.53 2npe h GLU 357 Ca 0.19 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 58.23 2npe h GLU 357 Cb 0.48 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2npe h GLU 357 CO 0.02 0.53 -0.88 0.77 -1.00 0.00 0.00 179.01 178.45 2npe h SER 358 N 0.33 0.54 -0.30 1.42 0.02 -0.94 -1.86 113.55 112.76 2npe h SER 358 Ca 0.06 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.57 2npe h SER 358 Cb 0.51 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2npe h SER 358 CO 0.03 1.19 0.05 0.40 -1.14 0.00 0.00 176.83 177.36 2npe h ILE 359 N 0.26 1.23 -0.25 3.27 2.04 -1.04 -1.92 117.51 121.11 2npe h ILE 359 Ca -0.07 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 2npe h ILE 359 Cb 1.50 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 2npe h ILE 359 CO 0.15 0.26 0.11 0.00 0.00 0.00 0.00 178.15 178.68 2npe h ALA 360 N 0.88 0.32 -0.46 1.87 0.00 -1.00 -1.43 119.26 119.43 2npe h ALA 360 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2npe h ALA 360 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2npe h ALA 360 CO 0.01 -0.11 0.26 0.82 0.00 0.00 0.00 179.25 180.23 2npe h ILE 361 N 0.26 1.16 -0.11 0.00 2.04 -1.36 -1.58 117.51 117.91 2npe h ILE 361 Ca 0.08 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2npe h ILE 361 Cb 0.14 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2npe h ILE 361 CO -0.01 0.16 0.06 0.74 0.00 0.00 0.00 178.15 179.10 2npe h THR 362 N 0.60 1.10 0.15 -0.27 2.02 -1.11 0.51 112.91 115.91 2npe h THR 362 Ca 0.16 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.08 2npe h THR 362 Cb 0.03 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 2npe h THR 362 CO -0.03 0.09 -0.33 0.40 0.37 0.00 0.00 175.52 176.02 2npe h ILE 363 N 0.07 0.31 -0.37 3.11 2.04 -1.23 -0.83 117.51 120.60 2npe h ILE 363 Ca 0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 2npe h ILE 363 Cb 0.09 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2npe h ILE 363 CO -0.01 0.00 0.04 0.58 0.00 0.00 0.00 178.15 178.76 2npe h VAL 364 N -0.57 1.25 0.22 1.67 2.07 -1.12 -1.54 116.25 118.22 2npe h VAL 364 Ca 0.02 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2npe h VAL 364 Cb 0.59 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2npe h VAL 364 CO -0.17 0.31 -0.14 -0.25 0.02 0.00 0.00 177.57 177.33 2npe h TRP 365 N 0.46 -0.37 -0.62 1.57 2.91 -0.83 -0.89 115.95 118.18 2npe h TRP 365 Ca 0.11 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.10 2npe h TRP 365 Cb 0.40 0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.16 2npe h TRP 365 CO 0.03 -0.22 0.27 1.03 -1.03 0.00 0.00 178.44 178.52 2npe h SER 366 N -0.35 0.84 0.09 2.65 0.87 -1.13 -2.17 113.55 114.35 2npe h SER 366 Ca -0.02 -0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2npe h SER 366 Cb 0.30 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 2npe h SER 366 CO 0.01 0.76 -0.22 1.23 -0.53 0.00 0.00 176.83 178.08 2npe h GLY 367 N 0.86 -0.39 0.99 5.77 0.00 -1.17 0.32 103.07 109.45 2npe h GLY 367 Ca 0.21 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 2npe h GLY 367 CO -0.02 -0.20 0.33 -2.08 0.00 0.00 0.00 176.54 174.57 2npe h VAL 368 N -0.41 1.18 -0.23 4.60 2.07 -0.98 0.15 116.25 122.63 2npe h VAL 368 Ca 0.03 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 2npe h VAL 368 Cb 0.44 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2npe h VAL 368 CO -0.14 0.18 -0.06 0.58 0.02 0.00 0.00 177.57 178.15 2npe h VAL 369 N 0.77 1.29 -0.55 2.57 2.07 -1.40 -2.03 116.25 118.96 2npe h VAL 369 Ca 0.20 -1.07 0.11 0.00 0.82 0.00 0.00 66.70 66.76 2npe h VAL 369 Cb 0.01 1.51 -0.11 0.00 -1.52 0.00 0.00 31.29 31.18 2npe h VAL 369 CO -0.04 0.33 -0.21 0.00 0.02 0.00 0.00 177.57 177.67 2npe h ALA 370 N 0.75 0.21 -0.38 1.67 0.00 -0.17 0.43 119.26 121.77 2npe h ALA 370 Ca 0.06 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2npe h ALA 370 Cb 0.53 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2npe h ALA 370 CO 0.02 -0.53 0.25 0.35 0.00 0.00 0.00 179.25 179.34 2npe h PHE 371 N -0.08 0.49 -0.75 0.00 3.57 -0.58 -1.49 116.94 118.10 2npe h PHE 371 Ca 0.26 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 2npe h PHE 371 Cb 0.48 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 2npe h PHE 371 CO -0.52 0.32 0.25 0.82 -2.23 0.00 0.00 178.31 176.95 2npe h ILE 372 N 0.52 1.26 0.22 1.41 2.04 -0.74 -1.11 117.51 121.11 2npe h ILE 372 Ca 0.14 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2npe h ILE 372 Cb -0.04 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2npe h ILE 372 CO -0.03 0.35 -0.16 1.23 0.00 0.00 0.00 178.15 179.54 2npe h GLY 373 N 1.12 -0.39 0.85 5.37 0.00 0.28 0.20 103.07 110.50 2npe h GLY 373 Ca 0.24 0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 2npe h GLY 373 CO -0.01 -0.17 -0.02 -0.97 0.00 0.00 0.00 176.54 175.37 2npe h TYR 374 N -0.39 -0.05 -0.41 5.60 0.05 -1.18 -1.70 116.97 118.88 2npe h TYR 374 Ca -0.01 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.84 2npe h TYR 374 Cb 0.34 0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.04 2npe h TYR 374 CO -0.11 0.11 0.02 0.87 -1.05 0.00 0.00 178.16 178.00 2npe h LYS 375 N -0.21 0.12 0.23 4.88 1.79 -1.15 0.39 116.57 122.63 2npe h LYS 375 Ca -0.01 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2npe h LYS 375 Cb 0.19 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.79 2npe h LYS 375 CO 0.01 0.08 -0.29 1.25 -1.08 0.00 0.00 179.45 179.43 2npe h LEU 376 N 0.13 -0.79 -1.30 2.94 5.85 -0.48 0.56 115.31 122.22 2npe h LEU 376 Ca 0.20 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.13 2npe h LEU 376 Cb 0.28 0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2npe h LEU 376 CO -0.32 -0.40 0.56 0.00 -0.34 0.00 0.00 178.44 177.93 2npe h ALA 377 N 0.06 1.79 0.28 1.25 0.00 -0.76 -1.38 119.26 120.49 2npe h ALA 377 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2npe h ALA 377 Cb 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2npe h ALA 377 CO -0.10 -0.00 -0.13 0.22 0.00 0.00 0.00 179.25 179.24 2npe h ASP 378 N 0.72 -0.32 0.00 0.00 3.58 0.38 0.60 116.42 121.38 2npe h ASP 378 Ca 0.42 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2npe h ASP 378 Cb 0.61 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2npe h ASP 378 CO -0.18 0.02 0.00 0.18 -2.88 0.00 0.00 179.24 176.38 2npe n LEU 379 N -5.12 0.00 0.02 2.28 4.77 0.13 -0.98 117.00 118.10 2npe n LEU 379 Ca -0.09 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.87 2npe n LEU 379 Cb 0.25 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2npe n LEU 379 CO 0.31 0.00 -0.20 1.07 -1.33 0.00 0.00 177.39 177.25 2npe n THR 380 N -0.88 1.10 0.21 -5.08 5.66 -0.57 -4.89 114.28 109.84 2npe n THR 380 Ca 0.09 0.30 0.03 0.00 -3.05 0.00 0.00 64.05 61.41 2npe n THR 380 Cb 0.04 -1.68 -0.03 0.00 -1.55 0.00 0.00 70.33 67.11 2npe n THR 380 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2npe n VAL 381 N -3.56 0.00 0.00 1.08 0.24 0.20 -5.07 118.33 111.22 2npe n VAL 381 Ca -0.03 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2npe n VAL 381 Cb 0.16 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 2npe n VAL 381 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2npe n GLY 382 N 1.32 -1.03 0.06 7.63 0.00 -0.16 -4.95 105.19 108.06 2npe n GLY 382 Ca 0.01 -1.27 -0.04 0.00 0.00 0.00 0.00 46.02 44.72 2npe n GLY 382 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2npe h LEU 383 N 0.00 0.00 -9.63 0.99 3.38 -1.79 -3.43 115.31 104.84 2npe h LEU 383 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2npe h LEU 383 Cb 0.00 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.85 2npe h LEU 383 CO 0.00 0.64 0.41 -2.11 0.09 0.00 0.00 178.44 177.47 2npe n ARG 384 N -4.36 1.85 -1.61 1.13 0.00 -1.26 -0.47 116.66 111.95 2npe n ARG 384 Ca -0.06 0.65 -0.35 0.00 -0.00 0.00 0.00 57.85 58.10 2npe n ARG 384 Cb 0.21 -2.18 0.08 0.00 -0.00 0.00 0.00 32.46 30.56 2npe n ARG 384 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2npe s VAL 385 N -0.88 2.36 -2.00 8.89 1.01 -1.25 -4.46 120.40 124.07 2npe s VAL 385 Ca 0.59 0.19 0.15 0.00 0.00 0.00 0.00 61.98 62.91 2npe s VAL 385 Cb -0.63 -2.87 0.42 0.00 0.00 0.00 0.00 36.38 33.31 2npe s VAL 385 CO 0.59 -0.08 1.31 -0.81 0.00 0.00 0.00 175.10 176.11