#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncr n PRO 2 N 0.00 0.07 -0.07 3.52 -0.04 -1.26 -1.21 135.00 136.01 1ncr n PRO 2 Ca 0.00 0.52 -0.11 0.00 -0.04 0.00 0.00 63.50 63.87 1ncr n PRO 2 Cb 0.00 -1.70 -0.15 0.00 -0.04 0.00 0.00 33.50 31.61 1ncr n PRO 2 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ncr n VAL 3 N -1.85 1.49 0.06 0.52 0.31 -1.26 -3.25 118.33 114.36 1ncr n VAL 3 Ca 0.00 -0.80 -0.08 0.00 -0.01 0.00 0.00 64.34 63.45 1ncr n VAL 3 Cb 0.05 -0.82 0.06 0.00 -0.91 0.00 0.00 33.84 32.22 1ncr n VAL 3 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1ncr h GLU 4 N 0.00 0.35 -0.01 5.55 4.81 -1.61 -2.56 114.58 121.11 1ncr h GLU 4 Ca -0.46 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.38 1ncr h GLU 4 Cb 2.13 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 31.54 1ncr h GLU 4 CO 0.04 0.90 -0.54 0.00 -0.73 0.00 0.00 179.01 178.67 1ncr h ARG 5 N 0.25 0.03 -0.30 1.92 3.08 -1.34 -2.80 114.38 115.22 1ncr h ARG 5 Ca -0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1ncr h ARG 5 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1ncr h ARG 5 CO 0.11 0.57 0.11 -0.92 -1.07 0.00 0.00 179.97 178.76 1ncr h TYR 6 N 0.02 0.46 -0.98 3.04 3.20 -1.46 -2.19 116.97 119.07 1ncr h TYR 6 Ca -0.00 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.83 1ncr h TYR 6 Cb 0.97 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.05 1ncr h TYR 6 CO 0.00 0.47 0.65 0.28 -1.64 0.00 0.00 178.16 177.92 1ncr h VAL 7 N 0.33 1.25 -0.09 1.81 2.07 -1.31 -1.25 116.25 119.06 1ncr h VAL 7 Ca 0.10 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1ncr h VAL 7 Cb 0.21 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1ncr h VAL 7 CO -0.01 0.24 -0.17 0.44 0.02 0.00 0.00 177.57 178.09 1ncr h ASP 8 N 1.33 0.14 -0.16 0.57 3.32 -1.24 -0.59 116.42 119.79 1ncr h ASP 8 Ca 0.36 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 1ncr h ASP 8 Cb -0.15 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1ncr h ASP 8 CO -0.08 0.33 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.23 1ncr h GLU 9 N 0.14 0.43 -0.56 3.56 5.08 -0.63 0.48 114.58 123.08 1ncr h GLU 9 Ca 0.03 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1ncr h GLU 9 Cb 0.39 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1ncr h GLU 9 CO 0.03 0.82 0.10 0.28 -1.00 0.00 0.00 179.01 179.23 1ncr h VAL 10 N 0.06 1.24 0.00 3.13 2.07 -1.02 -2.78 116.25 118.96 1ncr h VAL 10 Ca 0.02 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1ncr h VAL 10 Cb 0.76 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1ncr h VAL 10 CO 0.05 0.34 -0.60 0.18 0.02 0.00 0.00 177.57 177.56 1ncr n LEU 11 N -4.25 0.57 -3.24 2.57 4.77 -0.26 -4.97 117.00 112.20 1ncr n LEU 11 Ca 0.04 0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.93 1ncr n LEU 11 Cb 0.26 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1ncr n LEU 11 CO 0.41 0.06 0.11 0.59 -1.33 0.00 0.00 177.39 177.23 1ncr n ASN 12 N -1.74 -2.24 -2.29 -1.43 5.03 0.15 -4.94 115.26 107.79 1ncr n ASN 12 Ca 0.04 -0.57 -0.17 0.00 0.87 0.00 0.00 54.58 54.76 1ncr n ASN 12 Cb 0.38 -4.75 0.03 0.00 -1.02 0.00 0.00 39.78 34.42 1ncr n ASN 12 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ncr n GLU 13 N -3.91 3.01 0.06 3.52 1.02 0.15 -4.73 120.64 119.75 1ncr n GLU 13 Ca -0.25 -3.98 -0.20 0.00 -0.02 0.00 0.00 57.16 52.71 1ncr n GLU 13 Cb 0.65 -2.06 -0.12 0.00 -0.02 0.00 0.00 31.44 29.88 1ncr n GLU 13 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ncr h VAL 14 N 3.21 1.36 -3.54 2.62 2.07 -1.93 -3.42 116.25 116.63 1ncr h VAL 14 Ca 0.21 -2.34 -0.68 0.00 0.82 0.00 0.00 66.70 64.71 1ncr h VAL 14 Cb 1.43 2.71 -0.37 0.00 -1.52 0.00 0.00 31.29 33.55 1ncr h VAL 14 CO 0.59 0.70 -0.57 -0.76 0.02 0.00 0.00 177.57 177.55 1ncr s LEU 15 N -8.03 5.03 0.28 2.57 1.43 -1.26 -5.04 118.68 113.66 1ncr s LEU 15 Ca -0.11 -2.30 -0.10 0.00 -1.03 0.00 0.00 54.13 50.59 1ncr s LEU 15 Cb 0.04 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 1ncr s LEU 15 CO 0.89 -0.44 0.62 0.68 0.23 0.00 0.00 176.35 178.32 1ncr s VAL 16 N 0.74 4.87 0.12 -1.59 -7.23 -1.26 0.83 120.40 116.88 1ncr s VAL 16 Ca 0.11 0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 60.78 1ncr s VAL 16 Cb -0.22 -3.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.03 1ncr s VAL 16 CO -0.05 -0.18 0.34 0.68 -0.31 0.00 0.00 175.10 175.59 1ncr s VAL 17 N -1.95 5.21 0.78 1.32 -7.23 -1.02 -4.86 120.40 112.65 1ncr s VAL 17 Ca 0.49 -0.01 -0.13 0.00 -1.81 0.00 0.00 61.98 60.52 1ncr s VAL 17 Cb -0.11 -3.62 0.07 0.00 0.56 0.00 0.00 36.38 33.28 1ncr s VAL 17 CO 0.23 0.08 1.16 -2.16 -0.31 0.00 0.00 175.10 174.10 1ncr s PRO 18 N -2.55 1.92 0.68 4.82 0.04 -1.26 -4.72 135.00 133.94 1ncr s PRO 18 Ca 0.39 1.55 -0.10 0.00 0.04 0.00 0.00 61.00 62.88 1ncr s PRO 18 Cb -0.12 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1ncr s PRO 18 CO 0.24 -1.96 1.05 -0.80 0.04 0.00 0.00 177.00 175.57 1ncr s ASN 19 N -2.52 5.37 -0.20 6.66 0.01 -1.26 -4.63 114.94 118.37 1ncr s ASN 19 Ca 0.69 0.95 -0.08 0.00 -0.71 0.00 0.00 52.86 53.70 1ncr s ASN 19 Cb -0.24 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 1ncr s ASN 19 CO 0.50 -1.33 0.09 -0.63 -1.51 0.00 0.00 177.10 174.23 1ncr s ILE 20 N -3.27 5.00 0.20 0.60 -1.09 -1.00 -4.98 121.20 116.65 1ncr s ILE 20 Ca 0.57 0.04 0.03 0.00 -2.23 0.00 0.00 60.65 59.07 1ncr s ILE 20 Cb -0.11 -3.28 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 1ncr s ILE 20 CO 0.49 0.43 0.33 0.20 -1.23 0.00 0.00 174.94 175.17 1ncr s ASN 21 N 0.54 6.33 0.26 3.58 -0.87 -1.26 -0.82 114.94 122.70 1ncr s ASN 21 Ca 0.05 0.15 -0.30 0.00 -1.57 0.00 0.00 52.86 51.20 1ncr s ASN 21 Cb -0.12 -1.90 -0.10 0.00 -0.02 0.00 0.00 41.25 39.11 1ncr s ASN 21 CO 0.01 -0.02 1.39 -1.58 -2.57 0.00 0.00 177.10 174.32 1ncr s GLN 22 N -3.60 4.31 0.40 -0.60 0.74 -1.22 -4.46 119.66 115.22 1ncr s GLN 22 Ca 0.35 2.24 0.06 0.00 0.05 0.00 0.00 55.36 58.06 1ncr s GLN 22 Cb -0.10 -3.11 -0.07 0.00 1.10 0.00 0.00 33.01 30.82 1ncr s GLN 22 CO 0.29 -0.34 0.02 -1.54 -0.55 0.00 0.00 175.29 173.17 1ncr s SER 23 N 0.16 3.60 0.27 6.67 1.04 -0.41 -4.91 113.70 120.12 1ncr s SER 23 Ca 0.56 -1.39 0.02 0.00 0.48 0.00 0.00 55.95 55.62 1ncr s SER 23 Cb -0.40 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.38 1ncr s SER 23 CO 0.45 -0.50 0.09 -1.00 0.98 0.00 0.00 173.24 173.26 1ncr s HIS 24 N -2.83 1.59 0.46 5.02 0.09 -1.26 -4.03 115.29 114.33 1ncr s HIS 24 Ca 0.34 -1.15 -0.24 0.00 -0.00 0.00 0.00 55.06 54.00 1ncr s HIS 24 Cb 0.09 -0.95 -0.07 0.00 -0.00 0.00 0.00 32.58 31.65 1ncr s HIS 24 CO 0.17 -0.29 1.36 -1.25 -0.00 0.00 0.00 174.74 174.72 1ncr s PRO 25 N -4.02 3.63 0.07 8.40 0.04 -1.26 -4.82 135.00 137.05 1ncr s PRO 25 Ca 0.38 2.25 0.02 0.00 0.04 0.00 0.00 61.00 63.69 1ncr s PRO 25 Cb 0.08 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1ncr s PRO 25 CO 0.14 -0.80 -0.07 0.95 0.04 0.00 0.00 177.00 177.26 1ncr s THR 26 N -1.27 0.60 -0.23 1.26 -4.23 -1.26 -5.11 115.64 105.40 1ncr s THR 26 Ca 0.63 -1.51 -0.03 0.00 -1.18 0.00 0.00 61.69 59.60 1ncr s THR 26 Cb -0.40 -1.14 0.11 0.00 1.34 0.00 0.00 72.50 72.40 1ncr s THR 26 CO 0.50 -0.63 0.25 -0.89 -0.54 0.00 0.00 174.62 173.31 1ncr s THR 27 N -2.51 -0.35 0.13 3.99 2.01 -1.26 -5.15 115.64 112.49 1ncr s THR 27 Ca 0.01 -0.25 -0.20 0.00 0.31 0.00 0.00 61.69 61.57 1ncr s THR 27 Cb -0.02 -0.79 0.05 0.00 0.01 0.00 0.00 72.50 71.75 1ncr s THR 27 CO -0.02 -0.30 0.50 -0.55 -0.69 0.00 0.00 174.62 173.56 1ncr s SER 28 N 2.34 -0.40 -0.09 3.53 0.15 -1.26 -5.02 113.70 112.96 1ncr s SER 28 Ca 0.08 -0.13 0.10 0.00 0.70 0.00 0.00 55.95 56.70 1ncr s SER 28 Cb -0.15 0.53 0.45 0.00 -1.71 0.00 0.00 66.02 65.14 1ncr s SER 28 CO -0.19 -0.89 1.27 -0.46 1.20 0.00 0.00 173.24 174.17 1ncr n ASN 29 N -0.22 3.29 -4.42 5.45 0.23 -1.26 -4.65 115.26 113.68 1ncr n ASN 29 Ca -0.17 -2.35 -0.42 0.00 -0.53 0.00 0.00 54.58 51.12 1ncr n ASN 29 Cb 0.64 -0.50 -0.11 0.00 -2.08 0.00 0.00 39.78 37.74 1ncr n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ncr s ALA 30 N -1.82 3.37 -0.69 -2.53 0.00 -1.26 -5.03 121.76 113.81 1ncr s ALA 30 Ca 0.31 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.53 1ncr s ALA 30 Cb 0.21 -2.73 0.18 0.00 0.00 0.00 0.00 23.12 20.78 1ncr s ALA 30 CO 0.13 -1.41 0.52 0.00 0.00 0.00 0.00 175.76 175.00 1ncr s ALA 31 N 1.61 3.74 0.30 0.00 0.00 -1.26 -4.94 121.76 121.21 1ncr s ALA 31 Ca 0.03 -3.39 0.03 0.00 0.00 0.00 0.00 51.96 48.64 1ncr s ALA 31 Cb -0.19 -2.75 0.63 0.00 0.00 0.00 0.00 23.12 20.81 1ncr s ALA 31 CO 0.08 -2.13 1.84 -1.35 0.00 0.00 0.00 175.76 174.20 1ncr h PRO 32 N 6.86 0.89 0.00 0.00 0.11 -1.96 -1.90 132.00 136.00 1ncr h PRO 32 Ca 0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ncr h PRO 32 Cb 0.93 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1ncr h PRO 32 CO 0.74 0.59 0.00 1.33 -0.21 0.00 0.00 178.00 180.44 1ncr n VAL 33 N -4.60 0.95 -4.02 3.15 0.24 -1.26 -4.62 118.33 108.17 1ncr n VAL 33 Ca 0.19 0.60 -0.36 0.00 -2.04 0.00 0.00 64.34 62.73 1ncr n VAL 33 Cb 0.38 -1.58 -0.08 0.00 -1.47 0.00 0.00 33.84 31.09 1ncr n VAL 33 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ncr s LEU 34 N -4.57 4.06 0.00 1.34 1.43 -0.72 -5.07 118.68 115.15 1ncr s LEU 34 Ca -0.01 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1ncr s LEU 34 Cb 0.07 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1ncr s LEU 34 CO 0.26 0.34 0.00 -0.67 0.23 0.00 0.00 176.35 176.51 1ncr n ASP 35 N 2.43 0.00 -3.45 2.29 2.03 -1.26 -4.96 116.55 113.64 1ncr n ASP 35 Ca -0.19 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 54.92 1ncr n ASP 35 Cb 0.54 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.83 1ncr n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ncr s ALA 36 N -1.00 -0.20 -0.00 -1.67 0.00 -1.26 -4.99 121.76 112.64 1ncr s ALA 36 Ca 0.00 -0.39 0.29 0.00 0.00 0.00 0.00 51.96 51.87 1ncr s ALA 36 Cb 0.00 -1.63 1.48 0.00 0.00 0.00 0.00 23.12 22.97 1ncr s ALA 36 CO 0.00 -1.61 1.89 0.00 0.00 0.00 0.00 175.76 176.04 1ncr h ALA 37 N 8.30 1.00 -0.18 0.00 0.00 -2.01 -2.02 119.26 124.36 1ncr h ALA 37 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ncr h ALA 37 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1ncr h ALA 37 CO 0.35 0.00 0.11 0.93 0.00 0.00 0.00 179.25 180.64 1ncr h GLU 38 N 0.00 0.23 -0.04 0.00 3.07 -1.94 -0.78 114.58 115.12 1ncr h GLU 38 Ca 0.00 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1ncr h GLU 38 Cb 0.13 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1ncr h GLU 38 CO 0.00 0.16 0.07 1.79 -1.40 0.00 0.00 179.01 179.62 1ncr h THR 39 N 0.24 0.37 0.00 1.13 1.35 -1.80 -3.45 112.91 110.74 1ncr h THR 39 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1ncr h THR 39 Cb -0.02 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1ncr h THR 39 CO -0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.87 1ncr n GLY 40 N -1.28 0.75 3.84 5.82 0.00 -0.30 -5.05 105.19 108.97 1ncr n GLY 40 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1ncr n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ncr s HIS 41 N -2.57 3.21 -0.14 1.61 3.76 -1.26 -5.10 115.29 114.81 1ncr s HIS 41 Ca 0.00 -0.02 -0.14 0.00 -0.15 0.00 0.00 55.06 54.75 1ncr s HIS 41 Cb 0.00 -1.51 -0.05 0.00 1.11 0.00 0.00 32.58 32.13 1ncr s HIS 41 CO 0.00 0.51 0.32 0.99 -0.85 0.00 0.00 174.74 175.72 1ncr s THR 42 N -1.87 5.27 0.10 1.30 2.01 -1.26 -4.70 115.64 116.49 1ncr s THR 42 Ca 0.32 0.62 -0.33 0.00 0.31 0.00 0.00 61.69 62.61 1ncr s THR 42 Cb -0.10 -3.66 -0.13 0.00 0.01 0.00 0.00 72.50 68.63 1ncr s THR 42 CO 0.25 0.41 1.71 -3.20 -0.69 0.00 0.00 174.62 173.11 1ncr n ASN 43 N 3.32 3.47 -1.30 3.53 2.85 -1.26 -4.84 115.26 121.02 1ncr n ASN 43 Ca -0.12 1.04 -0.01 0.00 -0.11 0.00 0.00 54.58 55.38 1ncr n ASN 43 Cb 0.52 -1.46 0.17 0.00 1.24 0.00 0.00 39.78 40.25 1ncr n ASN 43 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ncr n LYS 44 N 4.65 2.56 -1.98 1.20 4.76 -1.26 -4.95 118.16 123.13 1ncr n LYS 44 Ca 0.18 -1.53 -0.40 0.00 -2.87 0.00 0.00 58.31 53.69 1ncr n LYS 44 Cb 0.31 -1.79 -0.01 0.00 -1.84 0.00 0.00 35.03 31.70 1ncr n LYS 44 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1ncr s ILE 45 N -1.79 2.45 0.33 -0.18 2.07 -1.26 -5.04 121.20 117.78 1ncr s ILE 45 Ca 0.27 0.44 0.09 0.00 -1.41 0.00 0.00 60.65 60.04 1ncr s ILE 45 Cb 0.21 -3.27 -0.06 0.00 0.13 0.00 0.00 42.46 39.48 1ncr s ILE 45 CO 0.07 0.09 -0.02 -1.10 -1.91 0.00 0.00 174.94 172.07 1ncr s GLN 46 N -2.03 2.02 0.39 3.50 -1.52 -1.26 -5.04 119.66 115.72 1ncr s GLN 46 Ca 0.53 -1.77 0.16 0.00 -1.95 0.00 0.00 55.36 52.32 1ncr s GLN 46 Cb -0.42 -1.89 1.02 0.00 -0.22 0.00 0.00 33.01 31.51 1ncr s GLN 46 CO 0.55 0.16 1.83 -1.00 -0.25 0.00 0.00 175.29 176.58 1ncr h PRO 47 N 1.87 0.46 0.00 2.91 0.13 -1.96 -0.46 132.00 134.95 1ncr h PRO 47 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ncr h PRO 47 Cb 1.25 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ncr h PRO 47 CO 0.67 0.30 0.05 0.93 -0.23 0.00 0.00 178.00 179.72 1ncr h GLU 48 N 0.47 0.00 0.00 0.86 3.07 -1.88 -2.18 114.58 114.92 1ncr h GLU 48 Ca 0.51 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.35 1ncr h GLU 48 Cb 1.18 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1ncr h GLU 48 CO -0.23 0.00 -0.79 -0.44 -1.40 0.00 0.00 179.01 176.15 1ncr h ASP 49 N 0.00 0.00 0.00 1.42 3.32 -1.48 -3.38 116.42 116.29 1ncr h ASP 49 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ncr h ASP 49 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1ncr h ASP 49 CO 0.00 0.10 -1.03 0.35 -1.72 0.00 0.00 179.24 176.94 1ncr n THR 50 N -2.83 0.00 -4.05 0.35 -2.24 -0.85 -4.93 114.28 99.73 1ncr n THR 50 Ca -0.00 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 1ncr n THR 50 Cb 0.59 0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 69.41 1ncr n THR 50 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1ncr s ILE 51 N -2.51 0.03 -0.49 2.28 -4.36 -1.05 -5.10 121.20 110.00 1ncr s ILE 51 Ca 0.01 -1.59 -0.24 0.00 -0.26 0.00 0.00 60.65 58.57 1ncr s ILE 51 Cb 0.09 -2.14 0.03 0.00 1.25 0.00 0.00 42.46 41.70 1ncr s ILE 51 CO 0.54 -0.14 0.88 -1.61 0.24 0.00 0.00 174.94 174.85 1ncr s GLU 52 N -4.04 3.42 0.34 0.37 2.02 -1.26 -4.57 118.70 114.98 1ncr s GLU 52 Ca 0.25 -0.09 0.04 0.00 0.02 0.00 0.00 54.97 55.19 1ncr s GLU 52 Cb 0.03 -3.98 -0.02 0.00 0.10 0.00 0.00 34.13 30.27 1ncr s GLU 52 CO 0.06 -1.28 0.50 0.95 0.02 0.00 0.00 175.26 175.51 1ncr s THR 53 N 3.66 4.50 0.54 3.63 -4.23 -1.26 -4.87 115.64 117.61 1ncr s THR 53 Ca 0.32 -0.79 0.08 0.00 -1.18 0.00 0.00 61.69 60.12 1ncr s THR 53 Cb -0.12 -3.60 0.07 0.00 1.34 0.00 0.00 72.50 70.19 1ncr s THR 53 CO 0.23 -0.30 0.74 0.00 -0.54 0.00 0.00 174.62 174.74 1ncr s ARG 54 N -4.24 2.42 -0.04 3.99 1.70 -1.26 -1.28 118.95 120.23 1ncr s ARG 54 Ca 0.42 -1.45 -0.20 0.00 -0.47 0.00 0.00 55.73 54.03 1ncr s ARG 54 Cb -0.10 -2.65 -0.05 0.00 -0.57 0.00 0.00 34.95 31.59 1ncr s ARG 54 CO 0.33 -0.73 0.56 -0.47 -1.08 0.00 0.00 175.30 173.92 1ncr s TYR 55 N -2.61 3.62 -0.03 5.89 5.04 -1.26 -3.41 117.35 124.59 1ncr s TYR 55 Ca 0.60 1.10 -0.00 0.00 -2.44 0.00 0.00 57.07 56.33 1ncr s TYR 55 Cb -0.07 -2.60 0.03 0.00 0.35 0.00 0.00 41.96 39.67 1ncr s TYR 55 CO 0.38 0.29 0.04 0.08 -1.34 0.00 0.00 175.55 174.99 1ncr s VAL 56 N 0.11 -0.07 -0.45 3.14 1.01 -0.00 -4.94 120.40 119.20 1ncr s VAL 56 Ca 0.30 0.25 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 1ncr s VAL 56 Cb -0.17 -0.10 0.03 0.00 0.00 0.00 0.00 36.38 36.14 1ncr s VAL 56 CO 0.15 0.10 0.82 -1.10 0.00 0.00 0.00 175.10 175.07 1ncr s GLN 57 N 1.23 3.46 0.37 2.72 -0.21 -1.26 -2.37 119.66 123.59 1ncr s GLN 57 Ca -0.07 -0.01 -0.27 0.00 0.02 0.00 0.00 55.36 55.03 1ncr s GLN 57 Cb -0.13 -3.93 -0.09 0.00 1.00 0.00 0.00 33.01 29.86 1ncr s GLN 57 CO -0.03 -1.13 1.22 -1.12 -2.12 0.00 0.00 175.29 172.10 1ncr s SER 58 N 2.15 6.63 0.00 5.90 0.01 -1.26 -4.94 113.70 122.19 1ncr s SER 58 Ca 0.32 2.47 0.00 0.00 1.31 0.00 0.00 55.95 60.05 1ncr s SER 58 Cb -0.12 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.49 1ncr s SER 58 CO 0.23 -0.61 0.43 -1.20 0.41 0.00 0.00 173.24 172.50 1ncr n SER 59 N 0.38 0.80 -4.80 2.44 7.64 -1.26 -4.90 113.62 113.92 1ncr n SER 59 Ca 0.03 -1.12 -0.34 0.00 1.01 0.00 0.00 58.87 58.45 1ncr n SER 59 Cb 0.45 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 1ncr n SER 59 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ncr s GLN 60 N -0.12 3.76 0.06 1.43 1.11 -1.26 -4.98 119.66 119.66 1ncr s GLN 60 Ca 0.00 1.31 0.06 0.00 0.01 0.00 0.00 55.36 56.74 1ncr s GLN 60 Cb 0.00 -2.09 -0.03 0.00 -1.01 0.00 0.00 33.01 29.88 1ncr s GLN 60 CO 0.00 -0.46 -0.17 0.95 0.01 0.00 0.00 175.29 175.62 1ncr s THR 61 N -2.09 1.34 -2.36 -0.19 -4.23 -1.26 -2.44 115.64 104.40 1ncr s THR 61 Ca 0.66 -1.22 0.21 0.00 -1.18 0.00 0.00 61.69 60.16 1ncr s THR 61 Cb -0.16 -1.22 0.43 0.00 1.34 0.00 0.00 72.50 72.90 1ncr s THR 61 CO 0.23 -0.03 1.47 0.18 -0.54 0.00 0.00 174.62 175.93 1ncr n LEU 62 N 1.57 2.41 -0.21 4.79 4.77 0.24 -4.57 117.00 126.01 1ncr n LEU 62 Ca -0.19 -1.02 -0.08 0.00 -0.03 0.00 0.00 56.01 54.69 1ncr n LEU 62 Cb 0.54 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1ncr n LEU 62 CO 0.22 0.51 0.58 0.44 -1.33 0.00 0.00 177.39 177.81 1ncr h ASP 63 N 3.16 -1.45 0.20 -1.43 5.19 -1.85 -0.33 116.42 119.91 1ncr h ASP 63 Ca 0.00 0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1ncr h ASP 63 Cb 0.69 0.67 -0.00 0.00 0.18 0.00 0.00 39.33 40.87 1ncr h ASP 63 CO 0.00 -0.33 -0.01 -0.08 -3.12 0.00 0.00 179.24 175.70 1ncr h GLU 64 N -0.21 0.00 -0.17 3.56 4.81 -1.92 -1.39 114.58 119.26 1ncr h GLU 64 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1ncr h GLU 64 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1ncr h GLU 64 CO -0.69 0.01 0.00 -1.33 -0.73 0.00 0.00 179.01 176.27 1ncr n MET 65 N -3.16 1.69 -1.37 1.92 2.81 -0.14 -4.31 117.12 114.56 1ncr n MET 65 Ca -0.02 -1.03 -0.32 0.00 -1.81 0.00 0.00 57.70 54.52 1ncr n MET 65 Cb 0.12 -1.38 0.08 0.00 -0.71 0.00 0.00 33.22 31.34 1ncr n MET 65 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1ncr s SER 66 N -1.53 4.54 0.21 7.83 1.04 -0.52 -4.79 113.70 120.48 1ncr s SER 66 Ca 0.31 1.92 -0.08 0.00 0.48 0.00 0.00 55.95 58.59 1ncr s SER 66 Cb 0.17 -2.54 0.16 0.00 0.10 0.00 0.00 66.02 63.91 1ncr s SER 66 CO 0.25 -2.01 1.79 0.58 0.98 0.00 0.00 173.24 174.83 1ncr h VAL 67 N -0.82 1.26 -0.75 5.02 2.07 -1.91 0.90 116.25 122.02 1ncr h VAL 67 Ca -0.45 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.36 1ncr h VAL 67 Cb 1.24 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 1ncr h VAL 67 CO 0.51 0.33 0.42 -0.08 0.02 0.00 0.00 177.57 178.77 1ncr h GLU 68 N 1.15 0.71 -0.14 1.57 4.57 -1.92 -1.16 114.58 119.37 1ncr h GLU 68 Ca 0.27 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 58.25 1ncr h GLU 68 Cb 0.19 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1ncr h GLU 68 CO -0.03 0.47 -0.52 1.03 -1.18 0.00 0.00 179.01 178.78 1ncr h SER 69 N 0.73 0.70 -0.81 1.04 0.87 -1.69 -0.79 113.55 113.60 1ncr h SER 69 Ca 0.35 -0.61 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1ncr h SER 69 Cb 0.28 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 1ncr h SER 69 CO -0.22 1.19 0.43 0.15 -0.53 0.00 0.00 176.83 177.85 1ncr h PHE 70 N 0.24 1.13 -0.43 2.24 3.57 -0.35 -2.87 116.94 120.47 1ncr h PHE 70 Ca -0.03 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ncr h PHE 70 Cb 1.15 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1ncr h PHE 70 CO 0.10 0.80 0.00 1.28 -2.23 0.00 0.00 178.31 178.26 1ncr n LEU 71 N -4.33 3.25 -2.19 0.59 4.77 -0.48 -4.62 117.00 113.99 1ncr n LEU 71 Ca 0.08 -1.77 -0.26 0.00 -0.03 0.00 0.00 56.01 54.03 1ncr n LEU 71 Cb 0.11 -0.29 0.13 0.00 -2.33 0.00 0.00 43.42 41.05 1ncr n LEU 71 CO 0.39 0.77 1.31 0.61 -1.33 0.00 0.00 177.39 179.14 1ncr n GLY 72 N 1.10 4.82 3.13 -0.72 0.00 -0.30 -2.63 105.19 110.58 1ncr n GLY 72 Ca 0.17 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 1ncr n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ncr s ARG 73 N -3.26 2.61 -0.07 1.61 0.52 -1.26 -4.86 118.95 114.23 1ncr s ARG 73 Ca 0.56 -0.71 -0.29 0.00 -0.52 0.00 0.00 55.73 54.76 1ncr s ARG 73 Cb 0.46 -2.11 -0.06 0.00 0.52 0.00 0.00 34.95 33.76 1ncr s ARG 73 CO 0.06 0.02 1.79 0.45 0.02 0.00 0.00 175.30 177.64 1ncr s SER 74 N 0.74 6.44 0.16 0.23 0.15 -1.26 -4.68 113.70 115.48 1ncr s SER 74 Ca -0.11 2.21 0.08 0.00 0.70 0.00 0.00 55.95 58.83 1ncr s SER 74 Cb -0.16 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 1ncr s SER 74 CO 0.01 -1.12 -0.17 -0.83 1.20 0.00 0.00 173.24 172.34 1ncr s GLY 75 N 4.28 1.33 0.17 9.45 0.00 -0.57 -4.85 107.32 117.13 1ncr s GLY 75 Ca 0.80 -1.48 -0.30 0.00 0.00 0.00 0.00 44.72 43.74 1ncr s GLY 75 CO 0.33 -1.54 1.34 0.00 0.00 0.00 0.00 173.10 173.24 1ncr n ILE 77 N 3.11 0.00 -3.60 0.00 -5.35 0.21 -4.72 119.36 109.01 1ncr n ILE 77 Ca 0.08 -0.43 -0.10 0.00 -0.27 0.00 0.00 62.75 62.03 1ncr n ILE 77 Cb 0.42 1.05 -0.06 0.00 -1.74 0.00 0.00 39.64 39.31 1ncr n ILE 77 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1ncr s HIS 78 N -0.57 -0.43 -0.43 4.28 5.04 -1.21 -4.51 115.29 117.45 1ncr s HIS 78 Ca 0.00 0.91 0.02 0.00 -1.54 0.00 0.00 55.06 54.45 1ncr s HIS 78 Cb 0.00 0.41 0.13 0.00 0.04 0.00 0.00 32.58 33.15 1ncr s HIS 78 CO 0.00 -0.30 0.21 -1.21 -2.34 0.00 0.00 174.74 171.10 1ncr s GLU 79 N -0.48 1.34 0.11 2.88 2.02 -1.26 -0.51 118.70 122.80 1ncr s GLU 79 Ca 0.00 -1.98 -0.30 0.00 0.02 0.00 0.00 54.97 52.71 1ncr s GLU 79 Cb -0.03 -2.52 -0.06 0.00 0.10 0.00 0.00 34.13 31.63 1ncr s GLU 79 CO -0.02 -1.11 1.05 0.45 0.02 0.00 0.00 175.26 175.65 1ncr s SER 80 N 0.45 7.34 -0.12 -0.19 0.15 0.58 -4.89 113.70 117.02 1ncr s SER 80 Ca 0.16 1.90 0.02 0.00 0.70 0.00 0.00 55.95 58.74 1ncr s SER 80 Cb -0.23 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.50 1ncr s SER 80 CO -0.03 -0.21 -0.20 -0.69 1.20 0.00 0.00 173.24 173.31 1ncr s VAL 81 N 0.23 1.83 -0.30 4.45 1.01 -1.26 -0.31 120.40 126.06 1ncr s VAL 81 Ca 0.50 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1ncr s VAL 81 Cb -0.26 -1.63 0.08 0.00 0.00 0.00 0.00 36.38 34.57 1ncr s VAL 81 CO 0.31 0.51 -0.02 -0.76 0.00 0.00 0.00 175.10 175.14 1ncr s LEU 82 N 0.82 3.93 -0.31 3.92 1.43 -0.06 -4.96 118.68 123.46 1ncr s LEU 82 Ca -0.08 -1.75 -0.00 0.00 -1.03 0.00 0.00 54.13 51.27 1ncr s LEU 82 Cb -0.16 -1.52 0.06 0.00 0.03 0.00 0.00 46.19 44.60 1ncr s LEU 82 CO -0.00 -0.29 0.00 -0.62 0.23 0.00 0.00 176.35 175.67 1ncr s ASP 83 N 1.06 4.83 -0.44 2.29 2.15 -1.26 -0.50 116.67 124.78 1ncr s ASP 83 Ca 0.01 -1.46 -0.29 0.00 0.43 0.00 0.00 52.55 51.25 1ncr s ASP 83 Cb -0.19 -1.68 0.02 0.00 -0.30 0.00 0.00 42.92 40.76 1ncr s ASP 83 CO -0.07 -0.29 1.33 -0.63 -0.17 0.00 0.00 175.17 175.34 1ncr s ILE 84 N 1.18 3.98 -0.09 4.11 -1.09 -0.76 -4.83 121.20 123.69 1ncr s ILE 84 Ca -0.03 0.99 -0.09 0.00 -2.23 0.00 0.00 60.65 59.29 1ncr s ILE 84 Cb -0.20 -4.34 -0.05 0.00 -1.58 0.00 0.00 42.46 36.29 1ncr s ILE 84 CO -0.03 -0.87 -0.19 0.52 -1.23 0.00 0.00 174.94 173.15 1ncr n VAL 85 N 7.01 1.12 -1.48 2.92 0.31 -1.26 -4.52 118.33 122.42 1ncr n VAL 85 Ca 0.15 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1ncr n VAL 85 Cb 0.48 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1ncr n VAL 85 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1ncr n ASP 86 N -3.85 0.00 -3.30 4.52 5.68 -1.26 -5.05 116.55 113.30 1ncr n ASP 86 Ca -0.17 -1.00 -0.09 0.00 -0.50 0.00 0.00 54.79 53.03 1ncr n ASP 86 Cb 0.47 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.40 1ncr n ASP 86 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1ncr s ASN 87 N 0.00 0.27 0.22 -1.12 3.84 -1.26 -5.04 114.94 111.85 1ncr s ASN 87 Ca 0.00 -0.53 -0.08 0.00 0.21 0.00 0.00 52.86 52.45 1ncr s ASN 87 Cb 0.00 1.14 0.26 0.00 -0.55 0.00 0.00 41.25 42.10 1ncr s ASN 87 CO 0.00 -0.33 1.81 0.22 -2.79 0.00 0.00 177.10 176.01 1ncr h TYR 88 N 7.95 0.73 -0.82 0.43 3.20 -1.96 -0.42 116.97 126.07 1ncr h TYR 88 Ca -0.06 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1ncr h TYR 88 Cb 1.12 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 1ncr h TYR 88 CO 0.27 0.35 0.47 -0.91 -1.64 0.00 0.00 178.16 176.70 1ncr h ASN 89 N 0.73 1.01 0.67 -2.11 -0.26 -1.99 -0.74 115.58 112.89 1ncr h ASN 89 Ca 0.32 -0.07 -0.26 0.00 -0.56 0.00 0.00 56.30 55.72 1ncr h ASN 89 Cb 0.20 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.18 1ncr h ASN 89 CO -0.19 0.79 -1.37 0.44 -1.06 0.00 0.00 177.43 176.05 1ncr h ASP 90 N 1.14 0.15 0.03 5.81 3.32 -1.88 -3.38 116.42 121.61 1ncr h ASP 90 Ca 0.29 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ncr h ASP 90 Cb -0.01 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1ncr h ASP 90 CO -0.05 1.16 -0.29 0.00 -1.72 0.00 0.00 179.24 178.34 1ncr n GLN 91 N -3.31 1.42 -0.16 3.56 6.02 -0.20 -4.41 117.38 120.30 1ncr n GLN 91 Ca -0.10 -1.10 0.07 0.00 -0.01 0.00 0.00 57.00 55.87 1ncr n GLN 91 Cb 1.01 -1.48 0.22 0.00 1.02 0.00 0.00 30.24 31.01 1ncr n GLN 91 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ncr n SER 92 N 0.17 1.89 -3.68 1.08 3.41 -0.29 -4.08 113.62 112.12 1ncr n SER 92 Ca 0.12 -1.92 -0.11 0.00 -0.26 0.00 0.00 58.87 56.69 1ncr n SER 92 Cb 0.46 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 1ncr n SER 92 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1ncr s PHE 93 N -1.58 -0.18 0.35 7.33 -0.71 -1.26 -0.96 117.98 120.96 1ncr s PHE 93 Ca 0.27 -0.01 -0.11 0.00 -1.04 0.00 0.00 56.93 56.03 1ncr s PHE 93 Cb 0.14 0.19 0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1ncr s PHE 93 CO 0.19 -0.61 0.66 -2.37 -1.34 0.00 0.00 175.22 171.75 1ncr n THR 94 N 0.18 0.00 -3.84 -4.49 5.66 0.08 -4.99 114.28 106.89 1ncr n THR 94 Ca -0.17 -1.03 -0.10 0.00 -3.05 0.00 0.00 64.05 59.70 1ncr n THR 94 Cb 0.61 0.91 -0.08 0.00 -1.55 0.00 0.00 70.33 70.23 1ncr n THR 94 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1ncr s LYS 95 N -2.20 0.76 -0.02 1.09 -2.85 -1.26 -1.53 119.74 113.73 1ncr s LYS 95 Ca 0.17 -0.73 -0.00 0.00 -1.00 0.00 0.00 55.97 54.40 1ncr s LYS 95 Cb -0.04 0.31 0.03 0.00 -2.06 0.00 0.00 37.83 36.08 1ncr s LYS 95 CO 0.12 -0.23 0.04 -0.46 0.10 0.00 0.00 175.35 174.92 1ncr s TRP 96 N -3.02 0.01 -0.72 1.78 -0.00 -0.48 -4.96 118.94 111.55 1ncr s TRP 96 Ca -0.02 0.16 -0.27 0.00 -0.00 0.00 0.00 56.10 55.98 1ncr s TRP 96 Cb 0.01 -0.22 0.03 0.00 -0.00 0.00 0.00 33.47 33.30 1ncr s TRP 96 CO -0.06 -0.10 1.24 1.21 -0.00 0.00 0.00 176.95 179.24 1ncr s ASN 97 N 1.05 6.19 0.20 5.86 3.04 -1.26 -0.79 114.94 129.23 1ncr s ASN 97 Ca -0.09 -0.46 -0.32 0.00 0.04 0.00 0.00 52.86 52.04 1ncr s ASN 97 Cb -0.12 -2.54 -0.15 0.00 -1.54 0.00 0.00 41.25 36.89 1ncr s ASN 97 CO -0.03 -1.76 1.23 -0.38 -3.04 0.00 0.00 177.10 173.12 1ncr n ILE 98 N 6.36 0.95 -3.54 -5.21 5.41 -0.98 -5.00 119.36 117.35 1ncr n ILE 98 Ca 0.03 -0.24 -0.07 0.00 1.00 0.00 0.00 62.75 63.47 1ncr n ILE 98 Cb 0.49 -1.04 -0.02 0.00 -0.71 0.00 0.00 39.64 38.36 1ncr n ILE 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1ncr s ASN 99 N 0.06 -0.26 -0.39 4.38 2.20 -1.26 -4.39 114.94 115.29 1ncr s ASN 99 Ca 0.71 0.00 0.06 0.00 -0.94 0.00 0.00 52.86 52.69 1ncr s ASN 99 Cb -0.78 0.28 0.54 0.00 -2.00 0.00 0.00 41.25 39.28 1ncr s ASN 99 CO 0.52 -0.44 1.64 0.18 -2.94 0.00 0.00 177.10 176.05 1ncr n LEU 100 N -0.17 5.38 -0.15 3.54 4.77 -1.26 -4.58 117.00 124.54 1ncr n LEU 100 Ca -0.05 -3.91 0.04 0.00 -0.03 0.00 0.00 56.01 52.06 1ncr n LEU 100 Cb 0.60 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1ncr n LEU 100 CO 0.10 1.33 0.14 0.00 -1.33 0.00 0.00 177.39 177.63 1ncr n GLN 101 N -1.07 2.72 0.14 3.23 1.13 -1.26 -4.45 117.38 117.82 1ncr n GLN 101 Ca 0.45 -0.41 0.04 0.00 -1.94 0.00 0.00 57.00 55.14 1ncr n GLN 101 Cb 1.15 -1.00 0.04 0.00 0.11 0.00 0.00 30.24 30.54 1ncr n GLN 101 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1ncr h GLU 102 N 0.71 0.00 -5.05 -1.09 5.08 -1.81 -3.43 114.58 108.99 1ncr h GLU 102 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1ncr h GLU 102 Cb 0.27 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.24 1ncr h GLU 102 CO 0.00 0.37 -0.74 -1.64 -1.00 0.00 0.00 179.01 176.00 1ncr s MET 103 N -3.02 3.35 0.24 2.33 -1.94 -1.26 -5.03 119.30 113.97 1ncr s MET 103 Ca 0.04 -0.65 -0.05 0.00 -1.71 0.00 0.00 55.69 53.32 1ncr s MET 103 Cb 0.07 -2.92 0.35 0.00 2.01 0.00 0.00 34.83 34.35 1ncr s MET 103 CO 0.74 -0.14 1.83 0.00 -0.01 0.00 0.00 175.02 177.45 1ncr h ALA 104 N 7.88 1.17 0.14 3.03 0.00 -1.92 -2.82 119.26 126.74 1ncr h ALA 104 Ca -0.40 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1ncr h ALA 104 Cb 1.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1ncr h ALA 104 CO 0.60 0.20 -0.22 1.96 0.00 0.00 0.00 179.25 181.80 1ncr h GLN 105 N 0.89 -0.41 0.00 0.00 4.20 -1.96 -1.08 115.11 116.76 1ncr h GLN 105 Ca 0.38 0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.96 1ncr h GLN 105 Cb 0.24 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1ncr h GLN 105 CO -0.20 -0.27 -0.75 -0.84 -0.67 0.00 0.00 178.83 176.10 1ncr h ILE 106 N -0.42 1.36 -0.40 2.54 -0.00 -1.87 -3.27 117.51 115.45 1ncr h ILE 106 Ca 0.02 -2.75 -0.01 0.00 -0.00 0.00 0.00 64.86 62.12 1ncr h ILE 106 Cb 0.43 2.56 -0.02 0.00 -0.00 0.00 0.00 36.82 39.79 1ncr h ILE 106 CO -0.10 0.74 0.21 -0.09 -0.00 0.00 0.00 178.15 178.91 1ncr h ARG 107 N 0.00 0.56 -0.91 0.16 2.43 -1.31 -2.57 114.38 112.74 1ncr h ARG 107 Ca -0.01 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1ncr h ARG 107 Cb 1.50 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.90 1ncr h ARG 107 CO 0.10 0.47 0.60 -0.09 -1.51 0.00 0.00 179.97 179.53 1ncr h ARG 108 N 0.51 1.20 -0.37 0.20 2.43 -1.25 -1.12 114.38 115.97 1ncr h ARG 108 Ca 0.14 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1ncr h ARG 108 Cb 0.08 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1ncr h ARG 108 CO -0.02 0.80 -0.13 0.87 -1.51 0.00 0.00 179.97 179.98 1ncr h LYS 109 N 1.24 0.75 -0.62 0.20 1.57 -1.55 -2.96 116.57 115.19 1ncr h LYS 109 Ca 0.33 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1ncr h LYS 109 Cb -0.14 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1ncr h LYS 109 CO -0.07 0.91 0.02 0.74 -0.57 0.00 0.00 179.45 180.48 1ncr h PHE 110 N 0.55 1.17 0.00 -1.35 0.04 -1.23 -2.69 116.94 113.42 1ncr h PHE 110 Ca 0.09 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1ncr h PHE 110 Cb 0.66 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1ncr h PHE 110 CO 0.05 1.02 0.00 0.39 -0.60 0.00 0.00 178.31 179.17 1ncr n GLU 111 N -4.20 0.51 -0.21 1.51 1.02 -0.45 -2.07 120.64 116.76 1ncr n GLU 111 Ca 0.03 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.25 1ncr n GLU 111 Cb 0.34 -1.01 0.22 0.00 -0.02 0.00 0.00 31.44 30.96 1ncr n GLU 111 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1ncr n MET 112 N -0.51 2.03 -4.09 3.49 2.81 -1.01 -4.76 117.12 115.08 1ncr n MET 112 Ca 0.00 -1.59 -0.10 0.00 -1.81 0.00 0.00 57.70 54.20 1ncr n MET 112 Cb 0.00 -1.36 -0.10 0.00 -0.71 0.00 0.00 33.22 31.05 1ncr n MET 112 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1ncr s PHE 113 N -1.44 0.61 -0.05 2.03 0.08 -0.88 -1.46 117.98 116.88 1ncr s PHE 113 Ca 0.31 -0.83 -0.09 0.00 0.12 0.00 0.00 56.93 56.44 1ncr s PHE 113 Cb 0.16 -0.40 -0.30 0.00 -0.57 0.00 0.00 43.02 41.92 1ncr s PHE 113 CO 0.21 -0.22 0.64 1.15 -0.10 0.00 0.00 175.22 176.90 1ncr h THR 114 N 3.60 0.91 -3.99 0.64 2.02 -0.34 -3.43 112.91 112.32 1ncr h THR 114 Ca -0.34 -2.51 -0.36 0.00 0.77 0.00 0.00 66.41 63.96 1ncr h THR 114 Cb 1.17 2.72 -0.25 0.00 -1.74 0.00 0.00 68.15 70.06 1ncr h THR 114 CO 0.57 0.86 -0.76 -0.31 0.37 0.00 0.00 175.52 176.24 1ncr s TYR 115 N -2.58 0.86 -0.09 3.16 2.02 -1.11 -0.52 117.35 119.10 1ncr s TYR 115 Ca -0.16 -0.33 -0.08 0.00 -0.37 0.00 0.00 57.07 56.13 1ncr s TYR 115 Cb 0.06 -0.52 0.02 0.00 -0.40 0.00 0.00 41.96 41.12 1ncr s TYR 115 CO 0.84 -0.01 0.24 0.00 -1.57 0.00 0.00 175.55 175.05 1ncr s ALA 116 N -0.81 -0.59 -0.09 3.71 0.00 -0.86 -0.73 121.76 122.38 1ncr s ALA 116 Ca -0.02 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.63 1ncr s ALA 116 Cb -0.07 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1ncr s ALA 116 CO 0.01 -0.11 -0.14 0.50 0.00 0.00 0.00 175.76 176.01 1ncr s ARG 117 N 0.12 2.02 -0.01 0.00 3.52 0.37 0.12 118.95 125.09 1ncr s ARG 117 Ca -0.00 -0.50 -0.29 0.00 -0.13 0.00 0.00 55.73 54.81 1ncr s ARG 117 Cb -0.02 -1.70 0.10 0.00 -1.56 0.00 0.00 34.95 31.78 1ncr s ARG 117 CO 0.00 -0.02 0.90 -0.59 -0.81 0.00 0.00 175.30 174.78 1ncr s PHE 118 N 0.85 -0.34 0.47 5.12 -0.12 -1.26 -1.01 117.98 121.69 1ncr s PHE 118 Ca -0.10 0.20 -0.00 0.00 -0.05 0.00 0.00 56.93 56.97 1ncr s PHE 118 Cb -0.15 0.54 -0.00 0.00 -0.63 0.00 0.00 43.02 42.78 1ncr s PHE 118 CO 0.01 -0.54 0.70 -0.51 -0.05 0.00 0.00 175.22 174.83 1ncr s ASP 119 N -2.49 5.79 0.12 1.98 1.01 0.11 -3.92 116.67 119.26 1ncr s ASP 119 Ca 0.05 0.31 0.09 0.00 0.71 0.00 0.00 52.55 53.71 1ncr s ASP 119 Cb -0.01 -1.52 -0.04 0.00 1.01 0.00 0.00 42.92 42.36 1ncr s ASP 119 CO -0.09 -0.75 -0.22 -0.44 0.21 0.00 0.00 175.17 173.88 1ncr s SER 120 N -4.23 2.75 -0.16 0.27 0.01 0.62 -0.81 113.70 112.14 1ncr s SER 120 Ca 0.49 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 57.02 1ncr s SER 120 Cb -0.10 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 65.99 1ncr s SER 120 CO 0.39 0.07 -0.17 -0.70 0.41 0.00 0.00 173.24 173.24 1ncr s GLU 121 N -2.12 2.60 -0.15 12.44 2.12 -0.39 -0.15 118.70 133.05 1ncr s GLU 121 Ca 0.10 -0.68 -0.04 0.00 0.36 0.00 0.00 54.97 54.71 1ncr s GLU 121 Cb -0.09 -2.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.96 1ncr s GLU 121 CO 0.05 -0.23 -0.02 0.42 -0.54 0.00 0.00 175.26 174.94 1ncr s ILE 122 N 1.40 4.06 -0.05 -3.70 1.09 -0.47 -1.89 121.20 121.64 1ncr s ILE 122 Ca 0.05 -0.31 0.03 0.00 -1.10 0.00 0.00 60.65 59.33 1ncr s ILE 122 Cb -0.13 -2.77 0.00 0.00 -1.06 0.00 0.00 42.46 38.50 1ncr s ILE 122 CO -0.12 0.51 -0.15 -0.89 -0.10 0.00 0.00 174.94 174.19 1ncr s THR 123 N 0.18 1.29 -0.07 2.92 2.01 -0.49 -1.89 115.64 119.58 1ncr s THR 123 Ca -0.01 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1ncr s THR 123 Cb -0.13 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1ncr s THR 123 CO 0.02 0.38 -0.10 -0.04 -0.69 0.00 0.00 174.62 174.19 1ncr s MET 124 N 0.28 2.73 -0.46 4.92 -1.94 -0.38 -0.39 119.30 124.05 1ncr s MET 124 Ca -0.08 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.32 1ncr s MET 124 Cb -0.13 -2.52 0.12 0.00 2.01 0.00 0.00 34.83 34.31 1ncr s MET 124 CO 0.03 0.60 0.20 0.08 -0.01 0.00 0.00 175.02 175.92 1ncr s VAL 125 N -0.65 2.30 0.13 -6.03 1.01 -0.29 -3.70 120.40 113.17 1ncr s VAL 125 Ca 0.10 -2.94 -0.18 0.00 0.00 0.00 0.00 61.98 58.96 1ncr s VAL 125 Cb -0.11 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 1ncr s VAL 125 CO 0.01 -0.76 0.59 -2.84 0.00 0.00 0.00 175.10 172.10 1ncr s PRO 126 N 0.12 4.14 -0.04 2.72 0.02 -1.26 -1.87 135.00 138.83 1ncr s PRO 126 Ca 0.15 0.69 -0.02 0.00 0.02 0.00 0.00 61.00 61.84 1ncr s PRO 126 Cb -0.24 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 31.24 1ncr s PRO 126 CO -0.03 0.54 0.05 -1.54 -0.33 0.00 0.00 177.00 175.70 1ncr s SER 127 N -1.41 0.93 -0.37 2.53 1.04 -0.75 -5.00 113.70 110.67 1ncr s SER 127 Ca 0.35 0.07 -0.17 0.00 0.48 0.00 0.00 55.95 56.68 1ncr s SER 127 Cb -0.18 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1ncr s SER 127 CO 0.20 -0.23 0.46 -0.69 0.98 0.00 0.00 173.24 173.96 1ncr s VAL 128 N 1.96 5.06 -0.22 5.02 1.01 -1.26 -2.08 120.40 129.90 1ncr s VAL 128 Ca 0.02 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 1ncr s VAL 128 Cb -0.12 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1ncr s VAL 128 CO -0.03 -0.25 0.63 0.00 0.00 0.00 0.00 175.10 175.44 1ncr s ALA 129 N 2.25 3.57 -0.86 5.51 0.00 -0.46 -4.94 121.76 126.83 1ncr s ALA 129 Ca 0.15 -0.33 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 1ncr s ALA 129 Cb -0.16 -2.99 0.05 0.00 0.00 0.00 0.00 23.12 20.02 1ncr s ALA 129 CO 0.13 -0.63 1.30 0.00 0.00 0.00 0.00 175.76 176.56 1ncr s ALA 130 N 2.10 2.83 0.23 0.00 0.00 -1.26 -2.16 121.76 123.49 1ncr s ALA 130 Ca 0.28 -1.91 0.03 0.00 0.00 0.00 0.00 51.96 50.36 1ncr s ALA 130 Cb -0.16 -4.31 0.22 0.00 0.00 0.00 0.00 23.12 18.88 1ncr s ALA 130 CO 0.10 -3.35 1.55 0.87 0.00 0.00 0.00 175.76 174.93 1ncr h LYS 131 N 9.78 0.31 -0.01 0.00 1.57 -1.79 -3.30 116.57 123.14 1ncr h LYS 131 Ca -0.05 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1ncr h LYS 131 Cb 1.03 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1ncr h LYS 131 CO 1.32 0.81 -0.12 -0.25 -0.57 0.00 0.00 179.45 180.63 1ncr n ASP 132 N -3.90 1.48 0.00 0.86 8.00 -1.21 -4.99 116.55 116.79 1ncr n ASP 132 Ca -0.03 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1ncr n ASP 132 Cb 0.61 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 1ncr n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ncr n GLY 133 N 0.77 3.36 3.79 0.44 0.00 -1.24 -5.00 105.19 107.31 1ncr n GLY 133 Ca 0.05 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 1ncr n GLY 133 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ncr s HIS 134 N 0.00 2.78 0.00 1.61 3.76 -1.26 -4.90 115.29 117.28 1ncr s HIS 134 Ca 0.00 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 1ncr s HIS 134 Cb 0.00 -1.77 0.00 0.00 1.11 0.00 0.00 32.58 31.92 1ncr s HIS 134 CO 0.00 0.22 0.21 0.44 -0.85 0.00 0.00 174.74 174.77 1ncr n ILE 135 N -1.28 0.00 -3.83 0.60 -5.35 -1.26 -4.72 119.36 103.51 1ncr n ILE 135 Ca -0.02 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1ncr n ILE 135 Cb 0.61 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.62 1ncr n ILE 135 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ncr n GLY 136 N 0.36 2.50 3.19 3.28 0.00 -1.26 -4.09 105.19 109.16 1ncr n GLY 136 Ca 0.00 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 1ncr n GLY 136 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ncr s HIS 137 N 0.00 3.44 -0.24 1.61 2.46 -1.26 -5.08 115.29 116.22 1ncr s HIS 137 Ca 0.00 -1.99 -0.15 0.00 0.47 0.00 0.00 55.06 53.39 1ncr s HIS 137 Cb 0.00 -2.96 -0.04 0.00 -0.13 0.00 0.00 32.58 29.45 1ncr s HIS 137 CO 0.00 -0.90 0.38 0.42 -2.47 0.00 0.00 174.74 172.17 1ncr s ILE 138 N 1.27 5.18 -0.09 0.89 -1.09 -1.26 -4.77 121.20 121.33 1ncr s ILE 138 Ca 0.04 0.63 0.03 0.00 -2.23 0.00 0.00 60.65 59.12 1ncr s ILE 138 Cb -0.23 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 36.95 1ncr s ILE 138 CO -0.01 0.19 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.01 1ncr s VAL 139 N 1.79 1.66 0.13 2.92 1.01 -1.26 -0.93 120.40 125.72 1ncr s VAL 139 Ca 0.17 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1ncr s VAL 139 Cb -0.15 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1ncr s VAL 139 CO 0.09 0.47 -0.04 -0.04 0.00 0.00 0.00 175.10 175.58 1ncr s MET 140 N 0.61 2.33 -0.09 2.72 -1.94 0.27 0.00 119.30 123.21 1ncr s MET 140 Ca -0.14 -1.02 0.01 0.00 -1.71 0.00 0.00 55.69 52.83 1ncr s MET 140 Cb -0.17 -2.38 0.02 0.00 2.01 0.00 0.00 34.83 34.32 1ncr s MET 140 CO 0.04 0.49 -0.11 -1.14 -0.01 0.00 0.00 175.02 174.29 1ncr s GLN 141 N -2.54 1.72 -0.17 2.03 0.74 -0.61 -1.51 119.66 119.33 1ncr s GLN 141 Ca 0.25 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.28 1ncr s GLN 141 Cb -0.10 -1.53 0.01 0.00 1.10 0.00 0.00 33.01 32.49 1ncr s GLN 141 CO 0.17 -0.08 -0.17 0.71 -0.55 0.00 0.00 175.29 175.37 1ncr s TYR 142 N 1.03 2.78 -0.07 1.67 2.02 -0.62 -1.70 117.35 122.46 1ncr s TYR 142 Ca -0.07 -1.28 0.04 0.00 -0.37 0.00 0.00 57.07 55.38 1ncr s TYR 142 Cb -0.15 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 1ncr s TYR 142 CO -0.01 -0.62 -0.17 1.41 -1.57 0.00 0.00 175.55 174.59 1ncr s MET 143 N 1.05 2.13 -0.38 -0.62 -2.45 0.15 -0.61 119.30 118.57 1ncr s MET 143 Ca -0.01 -0.62 -0.20 0.00 -1.25 0.00 0.00 55.69 53.61 1ncr s MET 143 Cb -0.14 -1.73 0.01 0.00 1.25 0.00 0.00 34.83 34.22 1ncr s MET 143 CO -0.05 0.15 0.62 -0.47 1.05 0.00 0.00 175.02 176.32 1ncr s TYR 144 N 0.35 3.13 -0.52 4.11 5.04 -0.63 -0.72 117.35 128.12 1ncr s TYR 144 Ca -0.12 0.23 -0.13 0.00 -2.44 0.00 0.00 57.07 54.61 1ncr s TYR 144 Cb -0.15 -3.17 0.13 0.00 0.35 0.00 0.00 41.96 39.12 1ncr s TYR 144 CO 0.05 -0.68 0.44 0.08 -1.34 0.00 0.00 175.55 174.10 1ncr s VAL 145 N 2.70 4.77 0.82 3.14 1.01 0.21 -4.20 120.40 128.84 1ncr s VAL 145 Ca 0.23 -1.66 -0.12 0.00 0.00 0.00 0.00 61.98 60.43 1ncr s VAL 145 Cb -0.14 -4.09 0.09 0.00 0.00 0.00 0.00 36.38 32.24 1ncr s VAL 145 CO 0.16 -0.83 1.16 -2.84 0.00 0.00 0.00 175.10 172.75 1ncr s PRO 146 N 1.45 1.63 -0.05 2.72 0.02 -1.26 -1.02 135.00 138.50 1ncr s PRO 146 Ca 0.05 1.58 -0.35 0.00 0.02 0.00 0.00 61.00 62.30 1ncr s PRO 146 Cb -0.28 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.32 1ncr s PRO 146 CO 0.01 -2.18 1.79 -0.35 -0.33 0.00 0.00 177.00 175.94 1ncr n PRO 147 N -3.53 2.06 0.00 5.54 -0.04 -1.26 -1.61 135.00 136.15 1ncr n PRO 147 Ca 0.12 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 1ncr n PRO 147 Cb 0.51 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1ncr n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ncr n GLY 148 N 4.12 2.54 3.75 0.55 0.00 -1.26 -5.07 105.19 109.82 1ncr n GLY 148 Ca 0.22 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 1ncr n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ncr s ALA 149 N -0.54 2.65 0.18 4.61 0.00 -0.64 -4.93 121.76 123.10 1ncr s ALA 149 Ca 0.00 1.08 -0.32 0.00 0.00 0.00 0.00 51.96 52.73 1ncr s ALA 149 Cb 0.00 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 1ncr s ALA 149 CO 0.00 -1.17 1.60 -1.25 0.00 0.00 0.00 175.76 174.94 1ncr s PRO 150 N -3.15 4.20 -0.22 0.00 0.04 -1.26 -4.88 135.00 129.72 1ncr s PRO 150 Ca 0.75 2.42 -0.16 0.00 0.04 0.00 0.00 61.00 64.04 1ncr s PRO 150 Cb -0.33 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1ncr s PRO 150 CO 0.37 -0.63 0.42 0.42 0.04 0.00 0.00 177.00 177.62 1ncr s ILE 151 N 1.08 5.17 0.41 0.56 1.01 -1.26 -4.90 121.20 123.26 1ncr s ILE 151 Ca 0.70 0.74 -0.26 0.00 0.00 0.00 0.00 60.65 61.83 1ncr s ILE 151 Cb -0.45 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 1ncr s ILE 151 CO 0.32 0.20 1.34 -0.81 0.00 0.00 0.00 174.94 175.99 1ncr n PRO 152 N 4.79 2.14 -0.02 2.79 -0.04 -1.26 -4.92 135.00 138.48 1ncr n PRO 152 Ca -0.07 0.76 0.01 0.00 -0.04 0.00 0.00 63.50 64.15 1ncr n PRO 152 Cb 0.51 -2.46 0.02 0.00 -0.04 0.00 0.00 33.50 31.52 1ncr n PRO 152 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ncr n THR 153 N -0.01 0.61 -3.70 0.52 -2.24 -1.26 -5.03 114.28 103.17 1ncr n THR 153 Ca 0.05 -0.80 -0.10 0.00 -2.27 0.00 0.00 64.05 60.93 1ncr n THR 153 Cb 0.39 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 1ncr n THR 153 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ncr s THR 154 N -0.66 0.04 -0.80 4.28 -4.23 -1.26 -5.02 115.64 108.00 1ncr s THR 154 Ca 0.03 -0.72 0.14 0.00 -1.18 0.00 0.00 61.69 59.96 1ncr s THR 154 Cb 0.02 -1.41 0.14 0.00 1.34 0.00 0.00 72.50 72.58 1ncr s THR 154 CO 0.02 -0.20 1.45 -2.11 -0.54 0.00 0.00 174.62 173.24 1ncr n ARG 155 N -0.29 0.06 -0.09 3.99 1.85 -1.26 -2.49 116.66 118.43 1ncr n ARG 155 Ca -0.12 0.38 0.07 0.00 -1.00 0.00 0.00 57.85 57.18 1ncr n ARG 155 Cb 0.63 -1.63 0.12 0.00 -1.05 0.00 0.00 32.46 30.53 1ncr n ARG 155 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ncr n ASP 156 N -1.75 2.43 -4.61 2.89 8.00 -1.26 -5.01 116.55 117.24 1ncr n ASP 156 Ca 0.02 -2.79 -0.41 0.00 0.71 0.00 0.00 54.79 52.32 1ncr n ASP 156 Cb 0.14 -0.33 0.02 0.00 -0.02 0.00 0.00 41.12 40.92 1ncr n ASP 156 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ncr n ASP 157 N -1.06 1.21 0.31 -2.24 -0.08 -1.04 -4.83 116.55 108.82 1ncr n ASP 157 Ca 0.13 1.01 0.18 0.00 -1.51 0.00 0.00 54.79 54.60 1ncr n ASP 157 Cb 0.56 -1.36 1.03 0.00 2.34 0.00 0.00 41.12 43.70 1ncr n ASP 157 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 1ncr h TYR 158 N 1.44 0.00 -0.02 -0.67 -0.00 -1.97 -2.11 116.97 113.65 1ncr h TYR 158 Ca -0.45 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.29 1ncr h TYR 158 Cb 1.34 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.07 1ncr h TYR 158 CO 0.43 0.01 0.02 0.00 -0.00 0.00 0.00 178.16 178.61 1ncr h ALA 159 N 1.99 1.78 0.00 0.10 0.00 -1.90 -0.92 119.26 120.30 1ncr h ALA 159 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ncr h ALA 159 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ncr h ALA 159 CO 0.00 -0.03 0.00 0.91 0.00 0.00 0.00 179.25 180.14 1ncr n TRP 160 N -4.18 0.47 0.11 0.00 7.02 -0.79 -1.77 117.44 118.30 1ncr n TRP 160 Ca -0.03 0.21 0.07 0.00 -1.02 0.00 0.00 57.50 56.74 1ncr n TRP 160 Cb 0.11 -0.84 0.54 0.00 -2.42 0.00 0.00 31.31 28.70 1ncr n TRP 160 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1ncr h GLN 161 N 0.00 0.25 -6.14 -0.99 4.20 -1.37 -3.46 115.11 107.60 1ncr h GLN 161 Ca 0.00 -0.02 -0.43 0.00 0.06 0.00 0.00 58.65 58.26 1ncr h GLN 161 Cb 0.16 -0.06 0.03 0.00 0.30 0.00 0.00 27.48 27.91 1ncr h GLN 161 CO 0.00 0.17 -0.81 0.45 -0.67 0.00 0.00 178.83 177.97 1ncr n SER 162 N -4.50 -2.06 0.32 1.46 2.88 -0.73 -4.87 113.62 106.13 1ncr n SER 162 Ca 0.01 -0.81 0.20 0.00 -1.33 0.00 0.00 58.87 56.94 1ncr n SER 162 Cb 0.14 -4.01 1.05 0.00 -0.75 0.00 0.00 64.21 60.64 1ncr n SER 162 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1ncr h GLY 163 N -1.93 0.00 0.00 0.46 0.00 -1.90 -3.36 103.07 96.34 1ncr h GLY 163 Ca -0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1ncr h GLY 163 CO 0.59 0.00 -0.29 2.41 0.00 0.00 0.00 176.54 179.25 1ncr n THR 164 N -3.31 0.00 -1.32 4.70 -1.04 -1.26 -5.09 114.28 106.97 1ncr n THR 164 Ca -0.02 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.64 1ncr n THR 164 Cb 0.12 -0.30 0.11 0.00 -1.82 0.00 0.00 70.33 68.43 1ncr n THR 164 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1ncr s ASN 165 N -3.71 3.94 0.10 8.00 0.02 -1.26 -4.96 114.94 117.07 1ncr s ASN 165 Ca 0.00 2.42 -0.25 0.00 -1.02 0.00 0.00 52.86 54.01 1ncr s ASN 165 Cb 0.00 -2.59 -0.07 0.00 0.02 0.00 0.00 41.25 38.61 1ncr s ASN 165 CO 0.00 -2.44 0.78 0.00 0.02 0.00 0.00 177.10 175.46 1ncr s ALA 166 N -1.95 3.40 0.05 0.60 0.00 -1.26 -4.84 121.76 117.77 1ncr s ALA 166 Ca 0.75 0.32 0.04 0.00 0.00 0.00 0.00 51.96 53.08 1ncr s ALA 166 Cb -0.31 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1ncr s ALA 166 CO 0.47 0.16 -0.12 -1.12 0.00 0.00 0.00 175.76 175.16 1ncr s SER 167 N -0.54 1.37 -0.12 0.00 0.01 -1.26 -1.60 113.70 111.56 1ncr s SER 167 Ca 0.38 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 57.10 1ncr s SER 167 Cb -0.22 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.00 1ncr s SER 167 CO 0.25 -0.09 -0.15 -0.69 0.41 0.00 0.00 173.24 172.96 1ncr s VAL 168 N -1.17 1.56 -0.21 3.43 1.01 0.22 -4.97 120.40 120.27 1ncr s VAL 168 Ca -0.04 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 1ncr s VAL 168 Cb -0.09 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1ncr s VAL 168 CO 0.01 0.45 0.09 -0.36 0.00 0.00 0.00 175.10 175.30 1ncr s PHE 169 N 1.15 3.25 -0.03 5.22 0.40 -1.26 -1.59 117.98 125.13 1ncr s PHE 169 Ca -0.03 0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.43 1ncr s PHE 169 Cb -0.14 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 1ncr s PHE 169 CO -0.05 0.07 -0.23 -0.46 0.70 0.00 0.00 175.22 175.26 1ncr s TRP 170 N 0.70 2.44 -0.16 0.36 -0.00 -0.57 -4.98 118.94 116.74 1ncr s TRP 170 Ca 0.05 -0.36 -0.00 0.00 -0.00 0.00 0.00 56.10 55.79 1ncr s TRP 170 Cb -0.13 -1.54 -0.01 0.00 -0.00 0.00 0.00 33.47 31.80 1ncr s TRP 170 CO 0.02 0.03 -0.13 -1.14 -0.00 0.00 0.00 176.95 175.72 1ncr s GLN 171 N -0.65 3.30 0.16 5.86 0.74 -1.26 -0.57 119.66 127.23 1ncr s GLN 171 Ca 0.10 -0.71 -0.34 0.00 0.05 0.00 0.00 55.36 54.46 1ncr s GLN 171 Cb -0.10 -2.68 -0.15 0.00 1.10 0.00 0.00 33.01 31.18 1ncr s GLN 171 CO -0.01 0.05 1.44 1.58 -0.55 0.00 0.00 175.29 177.81 1ncr n HIS 172 N 3.98 1.95 0.00 1.67 -0.00 -0.10 -1.00 115.22 121.71 1ncr n HIS 172 Ca -0.19 0.44 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 1ncr n HIS 172 Cb 0.52 -2.44 0.00 0.00 -0.00 0.00 0.00 29.99 28.06 1ncr n HIS 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ncr n GLY 173 N 2.80 2.47 3.91 1.57 0.00 -1.26 -4.90 105.19 109.79 1ncr n GLY 173 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1ncr n GLY 173 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ncr s GLN 174 N -0.29 3.23 0.96 1.61 -1.52 -0.17 -5.05 119.66 118.43 1ncr s GLN 174 Ca 0.00 0.08 -0.11 0.00 -1.95 0.00 0.00 55.36 53.38 1ncr s GLN 174 Cb 0.00 -2.33 0.17 0.00 -0.22 0.00 0.00 33.01 30.63 1ncr s GLN 174 CO 0.00 -0.44 1.12 -1.25 -0.25 0.00 0.00 175.29 174.47 1ncr s PRO 175 N -4.85 0.66 0.22 2.91 0.04 -1.26 -4.91 135.00 127.80 1ncr s PRO 175 Ca 0.51 1.40 -0.32 0.00 0.04 0.00 0.00 61.00 62.63 1ncr s PRO 175 Cb -0.10 -1.70 -0.12 0.00 0.04 0.00 0.00 34.50 32.62 1ncr s PRO 175 CO 0.45 -2.83 1.69 1.19 0.04 0.00 0.00 177.00 177.54 1ncr n PHE 176 N -4.35 2.71 -1.98 0.56 3.72 -1.26 -4.95 117.46 111.91 1ncr n PHE 176 Ca 0.10 0.09 -0.35 0.00 -0.05 0.00 0.00 57.45 57.24 1ncr n PHE 176 Cb 0.52 -2.65 0.03 0.00 -0.94 0.00 0.00 39.48 36.45 1ncr n PHE 176 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1ncr s PRO 177 N 0.91 2.95 -0.20 -1.08 0.04 -1.24 -4.83 135.00 131.54 1ncr s PRO 177 Ca 0.74 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 63.24 1ncr s PRO 177 Cb -0.52 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.15 1ncr s PRO 177 CO 0.35 -1.20 0.73 0.50 0.04 0.00 0.00 177.00 177.43 1ncr s ARG 178 N -3.46 0.88 0.20 4.56 3.52 -1.26 -1.25 118.95 122.13 1ncr s ARG 178 Ca 0.75 0.74 -0.18 0.00 -0.13 0.00 0.00 55.73 56.90 1ncr s ARG 178 Cb -0.28 0.42 0.03 0.00 -1.56 0.00 0.00 34.95 33.57 1ncr s ARG 178 CO 0.34 -0.17 0.54 -0.59 -0.81 0.00 0.00 175.30 174.62 1ncr s PHE 179 N -0.13 -0.17 0.15 5.12 -0.71 -0.79 -5.01 117.98 116.44 1ncr s PHE 179 Ca -0.03 -0.17 0.05 0.00 -1.04 0.00 0.00 56.93 55.75 1ncr s PHE 179 Cb -0.03 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 1ncr s PHE 179 CO 0.03 -0.93 0.09 -1.12 -1.34 0.00 0.00 175.22 171.95 1ncr s SER 180 N -2.86 5.31 -0.03 1.98 0.01 -1.26 -1.37 113.70 115.48 1ncr s SER 180 Ca 0.08 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1ncr s SER 180 Cb -0.01 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.89 1ncr s SER 180 CO -0.03 0.09 -0.11 -0.76 0.41 0.00 0.00 173.24 172.84 1ncr s LEU 181 N -2.94 1.84 0.57 2.44 1.43 0.78 -4.98 118.68 117.83 1ncr s LEU 181 Ca 0.30 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 1ncr s LEU 181 Cb -0.10 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 1ncr s LEU 181 CO 0.22 0.09 0.95 -2.16 0.23 0.00 0.00 176.35 175.68 1ncr s PRO 182 N 0.09 3.60 -0.30 1.29 0.04 -1.26 -0.28 135.00 138.20 1ncr s PRO 182 Ca -0.02 0.60 -0.38 0.00 0.04 0.00 0.00 61.00 61.24 1ncr s PRO 182 Cb -0.08 -2.17 -0.14 0.00 0.04 0.00 0.00 34.50 32.15 1ncr s PRO 182 CO 0.01 -0.44 1.94 0.34 0.04 0.00 0.00 177.00 178.89 1ncr n PHE 183 N -2.53 1.88 0.80 0.56 7.35 -1.25 -4.75 117.46 119.53 1ncr n PHE 183 Ca 0.04 0.39 0.12 0.00 -0.76 0.00 0.00 57.45 57.25 1ncr n PHE 183 Cb 0.54 -2.50 0.20 0.00 0.35 0.00 0.00 39.48 38.07 1ncr n PHE 183 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1ncr n LEU 184 N 7.24 0.57 -4.75 -2.13 4.77 -1.26 -5.01 117.00 116.43 1ncr n LEU 184 Ca 0.33 0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 56.06 1ncr n LEU 184 Cb 0.17 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.13 1ncr n LEU 184 CO 0.79 0.05 0.74 -0.55 -1.33 0.00 0.00 177.39 177.09 1ncr s SER 185 N -3.52 4.58 0.00 -1.43 0.15 -1.26 -4.92 113.70 107.29 1ncr s SER 185 Ca 0.09 2.07 0.27 0.00 0.70 0.00 0.00 55.95 59.07 1ncr s SER 185 Cb 0.16 -2.56 0.93 0.00 -1.71 0.00 0.00 66.02 62.84 1ncr s SER 185 CO 0.72 -1.99 1.68 2.30 1.20 0.00 0.00 173.24 177.15 1ncr n ILE 186 N -2.87 0.00 -3.53 6.45 -5.35 -1.26 -4.84 119.36 107.96 1ncr n ILE 186 Ca 0.11 -0.07 -0.20 0.00 -0.27 0.00 0.00 62.75 62.32 1ncr n ILE 186 Cb 0.52 0.12 0.02 0.00 -1.74 0.00 0.00 39.64 38.56 1ncr n ILE 186 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ncr n ALA 187 N -0.97 0.82 0.40 -1.28 0.00 -1.26 -5.04 120.51 113.19 1ncr n ALA 187 Ca 0.12 -1.80 0.12 0.00 0.00 0.00 0.00 53.44 51.88 1ncr n ALA 187 Cb 0.32 0.65 0.27 0.00 0.00 0.00 0.00 19.45 20.69 1ncr n ALA 187 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ncr h SER 188 N 0.37 0.00 -5.05 0.00 0.02 -2.01 -3.47 113.55 103.42 1ncr h SER 188 Ca -0.26 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.63 1ncr h SER 188 Cb 1.05 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.45 1ncr h SER 188 CO 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.10 1ncr s ALA 189 N -3.16 -1.13 0.33 3.77 0.00 -1.26 -4.85 121.76 115.46 1ncr s ALA 189 Ca 0.08 0.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 1ncr s ALA 189 Cb 0.09 0.69 -0.09 0.00 0.00 0.00 0.00 23.12 23.80 1ncr s ALA 189 CO 0.64 -0.65 1.00 0.71 0.00 0.00 0.00 175.76 177.47 1ncr s TYR 190 N -3.58 3.56 -0.21 0.00 2.02 0.12 -4.86 117.35 114.40 1ncr s TYR 190 Ca 0.01 1.74 -0.22 0.00 -0.37 0.00 0.00 57.07 58.23 1ncr s TYR 190 Cb 0.01 -3.05 -0.02 0.00 -0.40 0.00 0.00 41.96 38.50 1ncr s TYR 190 CO -0.11 -0.16 0.68 0.71 -1.57 0.00 0.00 175.55 175.10 1ncr s TYR 191 N -1.52 3.36 -0.01 2.71 2.02 -1.26 -2.03 117.35 120.61 1ncr s TYR 191 Ca 0.51 0.98 0.12 0.00 -0.37 0.00 0.00 57.07 58.31 1ncr s TYR 191 Cb -0.22 -2.87 -0.19 0.00 -0.40 0.00 0.00 41.96 38.28 1ncr s TYR 191 CO 0.28 -0.24 0.94 0.52 -1.57 0.00 0.00 175.55 175.49 1ncr h MET 192 N 7.56 0.00 -4.00 -0.62 2.86 -1.07 -3.46 114.93 116.19 1ncr h MET 192 Ca -0.29 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.16 1ncr h MET 192 Cb 1.13 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.57 1ncr h MET 192 CO 0.79 0.63 -0.71 -0.06 1.06 0.00 0.00 176.91 178.62 1ncr s PHE 193 N -2.71 0.26 -0.25 -0.22 0.40 -1.20 -4.94 117.98 109.32 1ncr s PHE 193 Ca -0.02 -0.44 -0.02 0.00 -0.60 0.00 0.00 56.93 55.86 1ncr s PHE 193 Cb 0.09 -0.18 0.12 0.00 0.51 0.00 0.00 43.02 43.56 1ncr s PHE 193 CO 0.82 -0.15 0.29 -0.47 0.70 0.00 0.00 175.22 176.41 1ncr s TYR 194 N -1.20 -0.48 -1.38 0.36 5.04 -1.26 -4.95 117.35 113.49 1ncr s TYR 194 Ca -0.13 0.16 -0.09 0.00 -2.44 0.00 0.00 57.07 54.58 1ncr s TYR 194 Cb -0.08 -0.33 0.09 0.00 0.35 0.00 0.00 41.96 41.99 1ncr s TYR 194 CO -0.01 -0.78 2.29 -3.47 -1.34 0.00 0.00 175.55 172.25 1ncr n ASP 195 N 5.32 6.65 -3.62 4.32 2.03 -1.26 -3.60 116.55 126.40 1ncr n ASP 195 Ca -0.03 -3.00 -0.10 0.00 0.52 0.00 0.00 54.79 52.18 1ncr n ASP 195 Cb 0.48 -1.47 -0.03 0.00 -0.72 0.00 0.00 41.12 39.38 1ncr n ASP 195 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1ncr s GLY 196 N 1.18 0.62 0.44 0.27 0.00 -1.26 -5.03 107.32 103.54 1ncr s GLY 196 Ca 0.51 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 44.35 1ncr s GLY 196 CO -0.05 -0.57 0.07 -0.19 0.00 0.00 0.00 173.10 172.36 1ncr s TYR 197 N -3.48 1.87 -0.22 1.90 1.51 -1.26 -2.22 117.35 115.45 1ncr s TYR 197 Ca 0.21 -1.10 0.15 0.00 -1.01 0.00 0.00 57.07 55.31 1ncr s TYR 197 Cb -0.02 -1.36 0.69 0.00 -0.11 0.00 0.00 41.96 41.16 1ncr s TYR 197 CO 0.12 -0.04 1.62 -0.40 -1.11 0.00 0.00 175.55 175.73 1ncr n ASP 198 N -1.21 4.83 -0.72 2.29 5.75 -1.06 -4.99 116.55 121.43 1ncr n ASP 198 Ca -0.10 -3.02 0.00 0.00 -0.01 0.00 0.00 54.79 51.66 1ncr n ASP 198 Cb 0.66 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1ncr n ASP 198 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ncr n GLY 199 N 0.04 0.65 1.29 6.12 0.00 -1.26 -4.90 105.19 107.13 1ncr n GLY 199 Ca 0.27 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.56 1ncr n GLY 199 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ncr n ASP 200 N -0.07 1.38 -4.57 1.61 5.68 -1.26 -4.93 116.55 114.39 1ncr n ASP 200 Ca 0.00 -2.68 -0.26 0.00 -0.50 0.00 0.00 54.79 51.35 1ncr n ASP 200 Cb 0.00 -0.39 -0.11 0.00 -1.14 0.00 0.00 41.12 39.49 1ncr n ASP 200 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1ncr s THR 201 N -1.40 1.98 0.20 2.12 -4.23 -1.26 -5.01 115.64 108.04 1ncr s THR 201 Ca 0.35 -2.06 0.30 0.00 -1.18 0.00 0.00 61.69 59.10 1ncr s THR 201 Cb 0.38 -2.85 0.30 0.00 1.34 0.00 0.00 72.50 71.66 1ncr s THR 201 CO -0.12 -0.07 1.90 0.10 -0.54 0.00 0.00 174.62 175.88 1ncr h TYR 202 N 1.90 0.00 -0.57 3.99 -0.00 -2.05 -1.56 116.97 118.69 1ncr h TYR 202 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 1ncr h TYR 202 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.97 1ncr h TYR 202 CO 0.72 0.00 0.00 0.36 -0.00 0.00 0.00 178.16 179.24 1ncr n LYS 203 N -2.58 2.86 -2.63 0.10 2.85 -1.26 -4.99 118.16 112.52 1ncr n LYS 203 Ca -0.02 -2.45 -0.35 0.00 -1.05 0.00 0.00 58.31 54.44 1ncr n LYS 203 Cb 0.11 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 32.96 1ncr n LYS 203 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1ncr s SER 204 N -1.01 6.77 0.42 -5.58 0.01 -0.59 -5.02 113.70 108.69 1ncr s SER 204 Ca 0.39 1.92 -0.22 0.00 1.31 0.00 0.00 55.95 59.35 1ncr s SER 204 Cb 0.21 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.77 1ncr s SER 204 CO 0.25 -0.48 0.98 -0.13 0.41 0.00 0.00 173.24 174.27 1ncr s ARG 205 N -2.74 4.19 0.07 12.44 0.52 -1.26 -4.87 118.95 127.30 1ncr s ARG 205 Ca 0.60 1.25 0.09 0.00 -0.52 0.00 0.00 55.73 57.16 1ncr s ARG 205 Cb -0.18 -2.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.95 1ncr s ARG 205 CO 0.22 -0.08 -0.24 -0.47 0.02 0.00 0.00 175.30 174.75 1ncr s TYR 206 N -1.98 2.38 0.00 -0.53 5.04 -1.26 -2.57 117.35 118.43 1ncr s TYR 206 Ca 0.61 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 1ncr s TYR 206 Cb -0.14 -1.37 0.00 0.00 0.35 0.00 0.00 41.96 40.81 1ncr s TYR 206 CO 0.18 0.22 0.00 0.41 -1.34 0.00 0.00 175.55 175.02 1ncr n GLY 207 N 1.44 -2.98 0.11 8.97 0.00 -0.94 -4.52 105.19 107.27 1ncr n GLY 207 Ca -0.17 -1.93 0.08 0.00 0.00 0.00 0.00 46.02 44.00 1ncr n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ncr n THR 208 N -0.16 1.25 0.31 2.61 -2.24 -1.24 -1.85 114.28 112.96 1ncr n THR 208 Ca 0.00 0.61 0.20 0.00 -2.27 0.00 0.00 64.05 62.58 1ncr n THR 208 Cb 0.00 -1.59 0.98 0.00 -2.10 0.00 0.00 70.33 67.62 1ncr n THR 208 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1ncr h VAL 209 N 0.00 0.05 0.00 2.28 3.04 -1.79 0.24 116.25 120.07 1ncr h VAL 209 Ca 0.00 -0.23 -0.20 0.00 -1.01 0.00 0.00 66.70 65.26 1ncr h VAL 209 Cb 0.05 1.22 -0.03 0.00 -2.01 0.00 0.00 31.29 30.52 1ncr h VAL 209 CO 0.00 0.01 -0.95 0.58 -1.01 0.00 0.00 177.57 176.20 1ncr h VAL 210 N 0.00 1.60 0.00 1.51 2.07 -1.67 -3.38 116.25 116.38 1ncr h VAL 210 Ca -0.00 -3.26 0.00 0.00 0.82 0.00 0.00 66.70 64.26 1ncr h VAL 210 Cb 0.22 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1ncr h VAL 210 CO 0.00 0.91 -1.09 0.35 0.02 0.00 0.00 177.57 177.76 1ncr n THR 211 N -3.33 0.00 -1.32 2.57 -2.24 -0.72 -4.75 114.28 104.49 1ncr n THR 211 Ca -0.00 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.30 1ncr n THR 211 Cb 0.92 0.52 0.15 0.00 -2.10 0.00 0.00 70.33 69.82 1ncr n THR 211 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ncr n ASN 212 N -1.62 4.60 -4.71 3.42 4.13 0.75 -4.95 115.26 116.89 1ncr n ASN 212 Ca -0.01 -3.69 -0.42 0.00 1.68 0.00 0.00 54.58 52.15 1ncr n ASN 212 Cb 0.20 -0.83 -0.03 0.00 -1.54 0.00 0.00 39.78 37.59 1ncr n ASN 212 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1ncr s ASP 213 N -1.69 6.84 0.00 6.41 2.15 -1.26 -4.88 116.67 124.24 1ncr s ASP 213 Ca 0.57 2.26 0.00 0.00 0.43 0.00 0.00 52.55 55.81 1ncr s ASP 213 Cb 0.48 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 1ncr s ASP 213 CO 0.06 -0.67 0.68 0.23 -0.17 0.00 0.00 175.17 175.30 1ncr n MET 214 N 4.39 0.63 0.00 4.34 2.81 -1.26 -5.01 117.12 123.02 1ncr n MET 214 Ca 0.12 -0.87 0.00 0.00 -1.81 0.00 0.00 57.70 55.14 1ncr n MET 214 Cb 0.43 -0.97 0.00 0.00 -0.71 0.00 0.00 33.22 31.97 1ncr n MET 214 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ncr n GLY 215 N -0.20 -1.79 3.22 3.03 0.00 -1.26 -4.71 105.19 103.48 1ncr n GLY 215 Ca 0.00 -1.77 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 1ncr n GLY 215 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ncr s THR 216 N 0.00 1.57 -0.40 2.61 2.01 -0.19 -2.32 115.64 118.93 1ncr s THR 216 Ca 0.00 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 1ncr s THR 216 Cb 0.00 -1.33 0.04 0.00 0.01 0.00 0.00 72.50 71.22 1ncr s THR 216 CO 0.00 0.35 0.24 -0.22 -0.69 0.00 0.00 174.62 174.30 1ncr s LEU 217 N -0.72 4.94 -0.07 4.42 2.96 0.03 -0.62 118.68 129.62 1ncr s LEU 217 Ca 0.07 -1.16 -0.05 0.00 -0.22 0.00 0.00 54.13 52.78 1ncr s LEU 217 Cb -0.08 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1ncr s LEU 217 CO 0.00 -0.45 0.16 0.00 -1.32 0.00 0.00 176.35 174.73 1ncr s SER 219 N -1.43 0.10 0.11 0.00 1.04 -0.58 0.30 113.70 113.24 1ncr s SER 219 Ca 0.20 -0.42 -0.18 0.00 0.48 0.00 0.00 55.95 56.03 1ncr s SER 219 Cb -0.12 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.29 1ncr s SER 219 CO 0.11 -0.51 0.46 0.00 0.98 0.00 0.00 173.24 174.27 1ncr s ARG 220 N -2.42 1.09 -0.36 4.02 1.70 -0.69 -0.74 118.95 121.56 1ncr s ARG 220 Ca -0.06 -0.56 -0.24 0.00 -0.47 0.00 0.00 55.73 54.40 1ncr s ARG 220 Cb -0.02 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.86 1ncr s ARG 220 CO -0.03 -0.43 0.82 0.42 -1.08 0.00 0.00 175.30 174.99 1ncr s ILE 221 N -3.48 4.71 0.14 4.99 1.01 -0.13 -1.57 121.20 126.87 1ncr s ILE 221 Ca 0.01 1.00 -0.15 0.00 0.00 0.00 0.00 60.65 61.51 1ncr s ILE 221 Cb 0.01 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1ncr s ILE 221 CO -0.10 -0.43 1.69 0.58 0.00 0.00 0.00 174.94 176.68 1ncr h VAL 222 N 5.74 1.21 -2.27 2.92 2.07 -0.74 -3.43 116.25 121.75 1ncr h VAL 222 Ca -0.24 -0.66 -0.62 0.00 0.82 0.00 0.00 66.70 66.00 1ncr h VAL 222 Cb 1.09 0.79 0.08 0.00 -1.52 0.00 0.00 31.29 31.73 1ncr h VAL 222 CO 0.92 0.24 0.43 0.41 0.02 0.00 0.00 177.57 179.59 1ncr n THR 223 N -4.58 0.92 -1.46 2.57 -1.04 -1.21 -4.95 114.28 104.52 1ncr n THR 223 Ca 0.01 -0.23 -0.29 0.00 -2.04 0.00 0.00 64.05 61.50 1ncr n THR 223 Cb 0.16 -1.13 0.14 0.00 -1.82 0.00 0.00 70.33 67.67 1ncr n THR 223 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ncr s SER 224 N 0.13 3.50 0.08 8.00 1.04 -1.26 -4.91 113.70 120.28 1ncr s SER 224 Ca 0.71 1.08 -0.37 0.00 0.48 0.00 0.00 55.95 57.85 1ncr s SER 224 Cb -0.76 -1.70 -0.18 0.00 0.10 0.00 0.00 66.02 63.49 1ncr s SER 224 CO 0.51 -2.57 1.21 1.21 0.98 0.00 0.00 173.24 174.58 1ncr n GLU 225 N -3.79 0.77 -4.38 4.02 2.13 -1.26 -5.00 120.64 113.13 1ncr n GLU 225 Ca 0.06 0.28 -0.24 0.00 0.66 0.00 0.00 57.16 57.92 1ncr n GLU 225 Cb 0.58 -1.83 -0.09 0.00 0.27 0.00 0.00 31.44 30.37 1ncr n GLU 225 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1ncr s GLN 226 N 0.17 1.92 0.11 5.31 -0.21 -1.26 -5.06 119.66 120.63 1ncr s GLN 226 Ca 0.84 -1.56 -0.28 0.00 0.02 0.00 0.00 55.36 54.38 1ncr s GLN 226 Cb -1.03 -1.96 -0.09 0.00 1.00 0.00 0.00 33.01 30.92 1ncr s GLN 226 CO 0.51 0.36 1.64 1.25 -2.12 0.00 0.00 175.29 176.93 1ncr h LEU 227 N 2.32 -0.76 -9.37 2.90 5.85 -2.00 -3.41 115.31 110.84 1ncr h LEU 227 Ca -0.43 0.08 -0.55 0.00 0.84 0.00 0.00 57.88 57.82 1ncr h LEU 227 Cb 1.24 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.51 1ncr h LEU 227 CO 0.58 -0.37 0.20 -1.00 -0.34 0.00 0.00 178.44 177.51 1ncr s HIS 228 N -6.05 3.60 0.26 1.25 3.76 -1.26 -5.04 115.29 111.81 1ncr s HIS 228 Ca -0.16 1.41 -0.30 0.00 -0.15 0.00 0.00 55.06 55.87 1ncr s HIS 228 Cb 0.07 -2.92 -0.09 0.00 1.11 0.00 0.00 32.58 30.75 1ncr s HIS 228 CO 0.65 0.04 1.03 0.15 -0.85 0.00 0.00 174.74 175.76 1ncr s LYS 229 N 0.93 4.73 0.30 1.40 1.02 -1.26 -4.91 119.74 121.95 1ncr s LYS 229 Ca 0.43 1.66 0.06 0.00 0.02 0.00 0.00 55.97 58.14 1ncr s LYS 229 Cb -0.19 -3.22 -0.06 0.00 -0.52 0.00 0.00 37.83 33.84 1ncr s LYS 229 CO 0.21 0.35 -0.02 0.14 -0.92 0.00 0.00 175.35 175.11 1ncr s VAL 230 N -1.18 1.56 -0.25 3.17 -7.23 -1.26 -2.62 120.40 112.60 1ncr s VAL 230 Ca 0.43 -2.08 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 1ncr s VAL 230 Cb -0.29 -2.60 0.07 0.00 0.56 0.00 0.00 36.38 34.12 1ncr s VAL 230 CO 0.37 -0.19 0.02 -0.75 -0.31 0.00 0.00 175.10 174.24 1ncr s LYS 231 N -3.77 1.02 -0.26 4.82 2.20 -0.92 -1.83 119.74 121.01 1ncr s LYS 231 Ca 0.32 -0.85 -0.12 0.00 -0.36 0.00 0.00 55.97 54.95 1ncr s LYS 231 Cb 0.06 -2.29 -0.05 0.00 -1.51 0.00 0.00 37.83 34.05 1ncr s LYS 231 CO 0.13 -0.74 0.25 0.08 -0.36 0.00 0.00 175.35 174.71 1ncr s VAL 232 N 1.60 5.28 -0.23 4.02 1.01 0.34 -1.35 120.40 131.06 1ncr s VAL 232 Ca 0.01 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 1ncr s VAL 232 Cb -0.18 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1ncr s VAL 232 CO -0.12 0.25 -0.07 -0.69 0.00 0.00 0.00 175.10 174.48 1ncr s VAL 233 N 1.61 3.00 -0.28 2.92 1.01 -0.88 -0.88 120.40 126.90 1ncr s VAL 233 Ca 0.10 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1ncr s VAL 233 Cb -0.15 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1ncr s VAL 233 CO 0.09 0.32 0.09 -0.89 0.00 0.00 0.00 175.10 174.71 1ncr s THR 234 N 1.39 4.20 -0.19 3.92 2.01 0.58 -1.80 115.64 125.74 1ncr s THR 234 Ca 0.03 -0.45 -0.13 0.00 0.31 0.00 0.00 61.69 61.45 1ncr s THR 234 Cb -0.15 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 1ncr s THR 234 CO -0.05 0.17 0.25 -0.13 -0.69 0.00 0.00 174.62 174.18 1ncr s ARG 235 N 1.56 4.20 -0.17 4.92 0.52 -0.78 -0.31 118.95 128.89 1ncr s ARG 235 Ca 0.04 -0.02 -0.11 0.00 -0.52 0.00 0.00 55.73 55.12 1ncr s ARG 235 Cb -0.16 -3.46 -0.05 0.00 0.52 0.00 0.00 34.95 31.80 1ncr s ARG 235 CO 0.03 0.18 0.21 0.42 0.02 0.00 0.00 175.30 176.16 1ncr s ILE 236 N 0.68 5.37 -0.03 1.52 -1.09 0.33 -1.13 121.20 126.85 1ncr s ILE 236 Ca 0.13 0.36 0.05 0.00 -2.23 0.00 0.00 60.65 58.97 1ncr s ILE 236 Cb -0.13 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1ncr s ILE 236 CO 0.03 0.44 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.69 1ncr s TYR 237 N 0.21 2.57 0.06 3.97 1.51 0.47 -0.62 117.35 125.54 1ncr s TYR 237 Ca 0.13 -0.25 0.07 0.00 -1.01 0.00 0.00 57.07 56.00 1ncr s TYR 237 Cb -0.12 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.13 1ncr s TYR 237 CO 0.01 0.13 -0.18 -1.58 -1.11 0.00 0.00 175.55 172.82 1ncr s HIS 238 N -0.73 1.59 -0.08 2.71 2.46 -0.09 -1.40 115.29 119.75 1ncr s HIS 238 Ca 0.11 -0.39 -0.08 0.00 0.47 0.00 0.00 55.06 55.18 1ncr s HIS 238 Cb -0.10 -0.91 0.02 0.00 -0.13 0.00 0.00 32.58 31.45 1ncr s HIS 238 CO 0.01 0.11 0.22 0.21 -2.47 0.00 0.00 174.74 172.81 1ncr s LYS 239 N -1.45 0.28 -0.01 2.88 2.20 -0.79 -1.51 119.74 121.35 1ncr s LYS 239 Ca 0.05 0.25 -0.16 0.00 -0.36 0.00 0.00 55.97 55.75 1ncr s LYS 239 Cb -0.09 0.13 -0.06 0.00 -1.51 0.00 0.00 37.83 36.31 1ncr s LYS 239 CO 0.02 -0.04 0.43 0.00 -0.36 0.00 0.00 175.35 175.41 1ncr s ALA 240 N -0.02 3.66 0.00 3.13 0.00 -1.08 -1.26 121.76 126.18 1ncr s ALA 240 Ca -0.01 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 51.81 1ncr s ALA 240 Cb -0.02 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.64 1ncr s ALA 240 CO 0.00 0.40 -0.15 0.15 0.00 0.00 0.00 175.76 176.17 1ncr s LYS 241 N -0.84 1.16 -1.01 0.00 1.02 0.01 -4.27 119.74 115.81 1ncr s LYS 241 Ca 0.24 -0.59 -0.05 0.00 0.02 0.00 0.00 55.97 55.59 1ncr s LYS 241 Cb -0.17 -1.14 -0.06 0.00 -0.52 0.00 0.00 37.83 35.94 1ncr s LYS 241 CO 0.13 0.31 0.88 0.72 -0.92 0.00 0.00 175.35 176.47 1ncr n HIS 242 N 2.51 -2.32 -3.61 3.18 8.25 -1.26 -0.72 115.22 121.25 1ncr n HIS 242 Ca -0.15 0.82 -0.32 0.00 -0.26 0.00 0.00 57.72 57.81 1ncr n HIS 242 Cb 0.55 -4.13 -0.05 0.00 1.12 0.00 0.00 29.99 27.48 1ncr n HIS 242 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ncr s THR 243 N -3.37 5.11 -0.04 1.59 2.01 -1.26 -4.25 115.64 115.43 1ncr s THR 243 Ca 0.40 0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.55 1ncr s THR 243 Cb -0.05 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.85 1ncr s THR 243 CO 0.70 0.07 0.09 -0.54 -0.69 0.00 0.00 174.62 174.25 1ncr s LYS 244 N -2.55 0.08 0.07 4.92 1.02 -0.18 -4.72 119.74 118.39 1ncr s LYS 244 Ca 0.41 0.17 0.03 0.00 0.02 0.00 0.00 55.97 56.60 1ncr s LYS 244 Cb -0.12 -0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 37.13 1ncr s LYS 244 CO 0.23 -0.06 -0.10 0.00 -0.92 0.00 0.00 175.35 174.50 1ncr s ALA 245 N 0.36 0.95 0.03 5.17 0.00 -1.26 -0.48 121.76 126.54 1ncr s ALA 245 Ca -0.03 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1ncr s ALA 245 Cb -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1ncr s ALA 245 CO -0.01 0.01 -0.07 -1.58 0.00 0.00 0.00 175.76 174.10 1ncr s TRP 246 N -1.88 0.61 -0.47 0.00 0.51 0.09 -4.99 118.94 112.80 1ncr s TRP 246 Ca -0.01 -0.38 -0.20 0.00 -2.12 0.00 0.00 56.10 53.39 1ncr s TRP 246 Cb -0.06 -0.37 0.03 0.00 -0.81 0.00 0.00 33.47 32.25 1ncr s TRP 246 CO 0.00 -0.06 0.63 0.00 -0.51 0.00 0.00 176.95 177.01 1ncr s PRO 248 N -2.67 2.38 0.18 0.00 0.04 -1.26 -1.78 135.00 131.89 1ncr s PRO 248 Ca 0.26 1.98 -0.01 0.00 0.04 0.00 0.00 61.00 63.27 1ncr s PRO 248 Cb -0.05 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1ncr s PRO 248 CO 0.80 -1.70 0.12 -0.98 0.04 0.00 0.00 177.00 175.27 1ncr s ARG 249 N -3.54 1.13 0.33 4.56 1.70 -0.53 -4.87 118.95 117.73 1ncr s ARG 249 Ca 0.80 -1.56 -0.28 0.00 -0.47 0.00 0.00 55.73 54.22 1ncr s ARG 249 Cb -0.35 0.27 -0.12 0.00 -0.57 0.00 0.00 34.95 34.17 1ncr s ARG 249 CO 0.42 -0.36 1.35 -2.30 -1.08 0.00 0.00 175.30 173.32 1ncr n PRO 250 N -0.22 2.23 -2.18 3.89 -0.02 -1.26 -4.74 135.00 132.70 1ncr n PRO 250 Ca -0.00 0.78 -0.35 0.00 -2.02 0.00 0.00 63.50 61.91 1ncr n PRO 250 Cb 0.65 -2.41 0.01 0.00 -0.02 0.00 0.00 33.50 31.74 1ncr n PRO 250 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ncr s PRO 251 N -1.71 3.27 -0.01 0.52 0.02 -1.26 -4.85 135.00 130.98 1ncr s PRO 251 Ca 0.57 1.57 -0.34 0.00 0.02 0.00 0.00 61.00 62.82 1ncr s PRO 251 Cb -0.56 -2.00 -0.12 0.00 0.02 0.00 0.00 34.50 31.84 1ncr s PRO 251 CO 0.61 -0.91 1.81 -2.13 -0.33 0.00 0.00 177.00 176.05 1ncr n ARG 252 N -1.48 2.23 0.00 5.54 3.00 -1.26 -4.86 116.66 119.82 1ncr n ARG 252 Ca 0.11 0.81 0.11 0.00 -0.00 0.00 0.00 57.85 58.88 1ncr n ARG 252 Cb 0.51 -2.65 -0.08 0.00 0.00 0.00 0.00 32.46 30.24 1ncr n ARG 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ncr n ALA 253 N 5.85 4.06 -2.32 5.13 0.00 -1.26 -4.97 120.51 127.00 1ncr n ALA 253 Ca 0.21 -0.53 -0.17 0.00 0.00 0.00 0.00 53.44 52.95 1ncr n ALA 253 Cb 0.30 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 1ncr n ALA 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ncr s VAL 254 N -3.14 1.01 0.60 0.00 -7.23 -1.26 -4.31 120.40 106.07 1ncr s VAL 254 Ca 0.04 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 57.99 1ncr s VAL 254 Cb 0.15 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1ncr s VAL 254 CO 0.85 -0.35 1.28 -1.10 -0.31 0.00 0.00 175.10 175.47 1ncr s GLN 255 N -3.86 2.88 0.54 4.82 -0.21 -1.26 -4.99 119.66 117.57 1ncr s GLN 255 Ca 0.28 2.02 -0.17 0.00 0.02 0.00 0.00 55.36 57.51 1ncr s GLN 255 Cb 0.06 -2.00 -0.06 0.00 1.00 0.00 0.00 33.01 32.01 1ncr s GLN 255 CO 0.08 -1.33 1.02 0.71 -2.12 0.00 0.00 175.29 173.64 1ncr s TYR 256 N -1.44 3.24 0.00 0.91 2.02 -1.26 -4.71 117.35 116.11 1ncr s TYR 256 Ca 0.78 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.97 1ncr s TYR 256 Cb -0.36 -2.90 0.00 0.00 -0.40 0.00 0.00 41.96 38.31 1ncr s TYR 256 CO 0.39 -0.69 0.00 -1.13 -1.57 0.00 0.00 175.55 172.56 1ncr n SER 257 N -1.70 3.55 -4.10 2.29 3.41 -1.26 -5.03 113.62 110.78 1ncr n SER 257 Ca 0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.58 1ncr n SER 257 Cb 0.53 0.14 -0.09 0.00 -0.26 0.00 0.00 64.21 64.53 1ncr n SER 257 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ncr s HIS 258 N -1.82 0.76 0.35 7.33 3.76 -1.26 -5.13 115.29 119.28 1ncr s HIS 258 Ca 0.00 -1.10 -0.21 0.00 -0.15 0.00 0.00 55.06 53.61 1ncr s HIS 258 Cb 0.00 -0.32 -0.10 0.00 1.11 0.00 0.00 32.58 33.27 1ncr s HIS 258 CO 0.00 -0.65 0.87 0.95 -0.85 0.00 0.00 174.74 175.06 1ncr s THR 259 N -4.05 4.44 -0.41 1.30 -4.23 -1.26 -3.94 115.64 107.48 1ncr s THR 259 Ca 0.26 1.41 0.00 0.00 -1.18 0.00 0.00 61.69 62.18 1ncr s THR 259 Cb 0.05 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1ncr s THR 259 CO 0.04 -0.11 0.00 1.41 -0.54 0.00 0.00 174.62 175.42 1ncr n HIS 260 N -0.12 0.00 -3.96 3.99 8.25 -1.26 -4.95 115.22 117.16 1ncr n HIS 260 Ca 0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 1ncr n HIS 260 Cb 0.53 -2.10 -0.12 0.00 1.12 0.00 0.00 29.99 29.42 1ncr n HIS 260 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1ncr s THR 261 N -1.43 0.09 -2.22 1.59 -1.32 -1.25 -3.67 115.64 107.43 1ncr s THR 261 Ca 0.00 -0.73 0.19 0.00 -1.21 0.00 0.00 61.69 59.94 1ncr s THR 261 Cb 0.00 -0.22 0.45 0.00 -1.51 0.00 0.00 72.50 71.22 1ncr s THR 261 CO 0.00 -0.40 1.53 0.35 -2.21 0.00 0.00 174.62 173.89 1ncr n THR 262 N 1.89 0.21 -1.41 5.08 -2.24 -1.26 -4.66 114.28 111.90 1ncr n THR 262 Ca -0.22 -0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 60.87 1ncr n THR 262 Cb 0.56 0.29 0.05 0.00 -2.10 0.00 0.00 70.33 69.13 1ncr n THR 262 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ncr n ASN 263 N 0.22 -0.84 -3.95 3.42 3.02 -1.26 -5.00 115.26 110.87 1ncr n ASN 263 Ca 0.15 0.69 -0.09 0.00 -0.03 0.00 0.00 54.58 55.30 1ncr n ASN 263 Cb 0.30 -1.22 -0.05 0.00 -0.61 0.00 0.00 39.78 38.20 1ncr n ASN 263 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1ncr s TYR 264 N -1.77 0.35 0.09 3.10 -0.85 -1.26 -4.10 117.35 112.92 1ncr s TYR 264 Ca 0.69 -0.72 0.09 0.00 -0.52 0.00 0.00 57.07 56.61 1ncr s TYR 264 Cb -0.40 0.22 -0.03 0.00 0.38 0.00 0.00 41.96 42.12 1ncr s TYR 264 CO 0.55 -1.02 -0.24 -1.59 -1.52 0.00 0.00 175.55 171.73 1ncr s LYS 265 N -3.95 1.34 -0.02 -3.49 -2.85 -1.26 -5.07 119.74 104.44 1ncr s LYS 265 Ca 0.22 -1.18 0.06 0.00 -1.00 0.00 0.00 55.97 54.07 1ncr s LYS 265 Cb -0.01 -1.65 -0.01 0.00 -2.06 0.00 0.00 37.83 34.09 1ncr s LYS 265 CO 0.09 0.40 -0.20 -0.51 0.10 0.00 0.00 175.35 175.23 1ncr s LEU 266 N -1.76 2.03 0.00 2.77 1.43 -1.26 -4.95 118.68 116.94 1ncr s LEU 266 Ca 0.10 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1ncr s LEU 266 Cb -0.10 -1.03 0.11 0.00 0.03 0.00 0.00 46.19 45.20 1ncr s LEU 266 CO 0.04 0.24 0.73 -1.54 0.23 0.00 0.00 176.35 176.05 1ncr n SER 267 N 2.62 0.97 0.26 2.29 3.41 -1.26 -4.98 113.62 116.94 1ncr n SER 267 Ca -0.15 -1.82 0.16 0.00 -0.26 0.00 0.00 58.87 56.79 1ncr n SER 267 Cb 0.53 -0.47 0.56 0.00 -0.26 0.00 0.00 64.21 64.57 1ncr n SER 267 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ncr h SER 268 N -0.44 0.00 -3.88 4.04 4.64 -2.04 -3.34 113.55 112.52 1ncr h SER 268 Ca -0.24 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.45 1ncr h SER 268 Cb 0.89 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.57 1ncr h SER 268 CO 0.26 0.00 -0.62 -1.61 -0.87 0.00 0.00 176.83 173.99 1ncr s GLU 269 N -3.56 2.09 0.63 4.77 2.02 -1.26 -4.99 118.70 118.40 1ncr s GLU 269 Ca 0.03 -2.83 0.30 0.00 0.02 0.00 0.00 54.97 52.49 1ncr s GLU 269 Cb 0.08 -3.28 1.64 0.00 0.10 0.00 0.00 34.13 32.67 1ncr s GLU 269 CO 0.57 -1.17 1.98 -0.39 0.02 0.00 0.00 175.26 176.27 1ncr h VAL 270 N 5.10 0.21 0.00 2.63 -1.51 -1.97 -1.40 116.25 119.31 1ncr h VAL 270 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1ncr h VAL 270 Cb 0.85 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1ncr h VAL 270 CO 0.68 0.00 0.00 1.12 -1.23 0.00 0.00 177.57 178.14 1ncr h HIS 271 N 0.00 0.00 0.00 5.19 2.07 -1.93 0.42 115.15 120.90 1ncr h HIS 271 Ca 0.08 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.60 1ncr h HIS 271 Cb 0.74 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.72 1ncr h HIS 271 CO 0.00 0.00 -0.21 -0.91 -3.07 0.00 0.00 177.93 173.74 1ncr h ASN 272 N 0.00 0.00 0.28 3.10 2.35 -1.59 -3.29 115.58 116.43 1ncr h ASN 272 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1ncr h ASN 272 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1ncr h ASN 272 CO 0.00 0.02 -0.31 0.47 -1.65 0.00 0.00 177.43 175.96 1ncr n ASP 273 N -2.55 0.93 -4.33 5.81 8.00 0.13 -4.92 116.55 119.62 1ncr n ASP 273 Ca 0.04 -0.77 -0.17 0.00 0.71 0.00 0.00 54.79 54.59 1ncr n ASP 273 Cb 0.48 0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 1ncr n ASP 273 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ncr s VAL 274 N -2.59 1.49 -0.89 2.53 -7.23 -1.22 -4.49 120.40 108.00 1ncr s VAL 274 Ca 0.22 -2.14 0.18 0.00 -1.81 0.00 0.00 61.98 58.43 1ncr s VAL 274 Cb 0.19 -2.07 0.16 0.00 0.56 0.00 0.00 36.38 35.22 1ncr s VAL 274 CO 0.55 -0.57 1.58 0.00 -0.31 0.00 0.00 175.10 176.35 1ncr n ALA 275 N -0.36 1.76 -1.89 1.32 0.00 -1.26 -4.78 120.51 115.30 1ncr n ALA 275 Ca -0.08 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1ncr n ALA 275 Cb 0.61 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1ncr n ALA 275 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ncr s ILE 276 N -3.07 2.71 -0.21 0.00 1.01 -1.26 -4.98 121.20 115.40 1ncr s ILE 276 Ca 0.07 0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.99 1ncr s ILE 276 Cb 0.11 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 1ncr s ILE 276 CO 0.33 0.02 0.19 -0.13 0.00 0.00 0.00 174.94 175.34 1ncr s ARG 277 N 1.85 4.16 0.21 2.79 0.52 -1.26 -4.89 118.95 122.31 1ncr s ARG 277 Ca 0.73 -0.16 -0.32 0.00 -0.52 0.00 0.00 55.73 55.46 1ncr s ARG 277 Cb -0.43 -3.47 -0.14 0.00 0.52 0.00 0.00 34.95 31.43 1ncr s ARG 277 CO 0.32 0.18 1.45 -2.30 0.02 0.00 0.00 175.30 174.96 1ncr n PRO 278 N 3.89 1.99 -3.55 3.54 -0.02 -1.26 -4.98 135.00 134.61 1ncr n PRO 278 Ca -0.14 0.71 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 1ncr n PRO 278 Cb 0.52 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 1ncr n PRO 278 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ncr s ARG 279 N 0.03 3.78 0.18 -0.52 0.52 -1.26 -4.99 118.95 116.69 1ncr s ARG 279 Ca 0.72 0.20 -0.13 0.00 -0.52 0.00 0.00 55.73 56.01 1ncr s ARG 279 Cb -0.68 -2.98 0.08 0.00 0.52 0.00 0.00 34.95 31.89 1ncr s ARG 279 CO 0.46 0.54 1.78 1.15 0.02 0.00 0.00 175.30 179.26 1ncr h THR 280 N 2.81 1.19 -2.28 0.02 2.02 -1.94 -3.47 112.91 111.26 1ncr h THR 280 Ca -0.49 -0.50 0.23 0.00 0.77 0.00 0.00 66.41 66.42 1ncr h THR 280 Cb 1.19 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 1ncr h THR 280 CO 0.67 0.21 0.69 0.54 0.37 0.00 0.00 175.52 178.00 1ncr s ASN 281 N -5.91 -0.02 0.56 4.18 2.20 -1.26 -5.03 114.94 109.65 1ncr s ASN 281 Ca -0.13 -0.46 0.24 0.00 -0.94 0.00 0.00 52.86 51.57 1ncr s ASN 281 Cb 0.13 0.37 1.54 0.00 -2.00 0.00 0.00 41.25 41.28 1ncr s ASN 281 CO 0.77 -0.72 2.15 -0.07 -2.94 0.00 0.00 177.10 176.30 1ncr h LEU 282 N 2.00 0.00 -2.98 3.54 3.38 -2.05 -2.99 115.31 116.21 1ncr h LEU 282 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1ncr h LEU 282 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ncr h LEU 282 CO 0.33 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.21 1ncr n THR 283 N -4.15 1.40 -3.38 0.22 -2.24 -1.26 -4.88 114.28 99.99 1ncr n THR 283 Ca -0.01 -1.18 -0.45 0.00 -2.27 0.00 0.00 64.05 60.15 1ncr n THR 283 Cb 0.20 0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1ncr n THR 283 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ncr s THR 284 N -1.48 5.11 -2.00 4.28 2.01 -1.13 -5.16 115.64 117.27 1ncr s THR 284 Ca 0.38 -1.28 0.02 0.00 0.31 0.00 0.00 61.69 61.12 1ncr s THR 284 Cb 0.23 -4.15 0.05 0.00 0.01 0.00 0.00 72.50 68.64 1ncr s THR 284 CO 0.21 -0.69 0.59 1.33 -0.69 0.00 0.00 174.62 175.37