#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cck s ALA 3 N 0.00 -1.18 -0.43 7.33 0.00 -1.03 -4.97 121.76 121.48 2cck s ALA 3 Ca 0.00 1.62 -0.13 0.00 0.00 0.00 0.00 51.96 53.45 2cck s ALA 3 Cb 0.00 -1.13 0.06 0.00 0.00 0.00 0.00 23.12 22.05 2cck s ALA 3 CO 0.00 -0.47 0.31 0.12 0.00 0.00 0.00 175.76 175.73 2cck s PHE 4 N 1.89 3.27 -0.21 0.00 5.36 -1.26 0.49 117.98 127.51 2cck s PHE 4 Ca -0.07 -1.06 -0.02 0.00 -0.96 0.00 0.00 56.93 54.82 2cck s PHE 4 Cb -0.09 -2.91 0.00 0.00 -0.34 0.00 0.00 43.02 39.68 2cck s PHE 4 CO -0.14 -0.76 -0.09 0.42 -1.46 0.00 0.00 175.22 173.19 2cck s ILE 5 N 1.57 2.95 0.20 3.12 1.01 0.18 -0.56 121.20 129.66 2cck s ILE 5 Ca 0.03 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.07 2cck s ILE 5 Cb -0.22 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 2cck s ILE 5 CO 0.06 0.44 0.25 0.42 0.00 0.00 0.00 174.94 176.11 2cck s THR 6 N 1.41 4.89 -0.08 2.92 -4.23 -0.52 0.17 115.64 120.20 2cck s THR 6 Ca 0.05 -1.04 0.04 0.00 -1.18 0.00 0.00 61.69 59.56 2cck s THR 6 Cb -0.14 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2cck s THR 6 CO -0.06 -0.23 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.23 2cck s PHE 7 N -1.91 2.16 0.09 3.99 0.40 0.57 -1.53 117.98 121.74 2cck s PHE 7 Ca 0.33 -0.83 0.05 0.00 -0.60 0.00 0.00 56.93 55.88 2cck s PHE 7 Cb -0.09 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 2cck s PHE 7 CO 0.27 -0.34 -0.13 -1.21 0.70 0.00 0.00 175.22 174.51 2cck s GLU 8 N 0.38 0.84 0.00 0.44 0.41 0.09 -0.77 118.70 120.09 2cck s GLU 8 Ca -0.15 -1.05 0.00 0.00 -0.41 0.00 0.00 54.97 53.36 2cck s GLU 8 Cb -0.17 -0.73 0.00 0.00 -1.78 0.00 0.00 34.13 31.45 2cck s GLU 8 CO 0.07 0.15 0.00 0.41 -0.49 0.00 0.00 175.26 175.39 2cck n GLY 9 N 0.97 2.47 3.94 -1.39 0.00 -1.26 -0.65 105.19 109.27 2cck n GLY 9 Ca -0.19 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 2cck n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cck s PRO 10 N -2.00 0.98 0.63 1.61 0.04 -1.26 -4.98 135.00 130.02 2cck s PRO 10 Ca 0.00 -0.51 -0.17 0.00 0.04 0.00 0.00 61.00 60.36 2cck s PRO 10 Cb 0.00 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2cck s PRO 10 CO 0.00 -2.13 1.17 -1.21 0.04 0.00 0.00 177.00 174.86 2cck s GLU 11 N -5.70 2.83 0.00 4.56 8.01 -1.26 -3.11 118.70 124.02 2cck s GLU 11 Ca 0.71 1.65 0.00 0.00 0.01 0.00 0.00 54.97 57.34 2cck s GLU 11 Cb -0.05 -1.93 0.00 0.00 -4.31 0.00 0.00 34.13 27.84 2cck s GLU 11 CO 0.51 -1.28 0.00 0.41 0.01 0.00 0.00 175.26 174.91 2cck n GLY 12 N 0.14 0.54 1.12 -1.39 0.00 -1.26 -4.80 105.19 99.54 2cck n GLY 12 Ca 0.12 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.01 2cck n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cck n SER 13 N 0.45 3.38 -1.19 1.61 3.41 -1.18 -4.27 113.62 115.83 2cck n SER 13 Ca 0.00 -2.00 -0.12 0.00 -0.26 0.00 0.00 58.87 56.49 2cck n SER 13 Cb 0.00 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 2cck n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cck n GLY 14 N 1.48 0.49 0.34 5.00 0.00 -1.26 -4.91 105.19 106.33 2cck n GLY 14 Ca 0.18 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.79 2cck n GLY 14 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2cck h LYS 15 N 0.00 1.06 0.09 1.61 3.64 -1.92 -0.84 116.57 120.21 2cck h LYS 15 Ca -0.27 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2cck h LYS 15 Cb 1.03 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2cck h LYS 15 CO 0.35 0.70 -0.04 1.15 -2.27 0.00 0.00 179.45 179.34 2cck h THR 16 N 1.10 0.97 -0.25 1.00 2.02 -1.99 -1.72 112.91 114.03 2cck h THR 16 Ca 0.39 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 2cck h THR 16 Cb 0.10 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2cck h THR 16 CO -0.15 0.05 0.15 0.74 0.37 0.00 0.00 175.52 176.68 2cck h THR 17 N -0.22 1.09 0.16 3.16 2.02 -1.91 -2.65 112.91 114.57 2cck h THR 17 Ca -0.01 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.96 2cck h THR 17 Cb 0.18 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2cck h THR 17 CO 0.02 0.09 -0.29 0.58 0.37 0.00 0.00 175.52 176.29 2cck h VAL 18 N 0.32 0.37 -0.79 3.16 2.07 -1.03 -0.99 116.25 119.36 2cck h VAL 18 Ca 0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.63 2cck h VAL 18 Cb 0.01 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 2cck h VAL 18 CO -0.02 0.00 0.51 0.40 0.02 0.00 0.00 177.57 178.48 2cck h ILE 19 N -0.54 1.15 -0.30 4.57 2.04 -1.31 0.02 117.51 123.15 2cck h ILE 19 Ca 0.02 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 2cck h ILE 19 Cb 0.54 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2cck h ILE 19 CO -0.14 0.19 0.03 -1.13 0.00 0.00 0.00 178.15 177.09 2cck h ASN 20 N 1.02 0.49 0.04 1.72 -0.73 -1.26 -0.21 115.58 116.64 2cck h ASN 20 Ca 0.31 -0.28 -0.13 0.00 1.87 0.00 0.00 56.30 58.07 2cck h ASN 20 Cb -0.04 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 2cck h ASN 20 CO -0.09 0.64 -0.43 -0.33 -0.37 0.00 0.00 177.43 176.85 2cck h GLU 21 N 0.31 0.47 -0.22 6.67 5.08 -0.95 -1.73 114.58 124.21 2cck h GLU 21 Ca 0.09 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 2cck h GLU 21 Cb 0.38 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2cck h GLU 21 CO 0.01 0.82 -0.18 0.28 -1.00 0.00 0.00 179.01 178.94 2cck h VAL 22 N 0.39 1.32 -0.24 3.13 2.07 -0.93 -2.71 116.25 119.27 2cck h VAL 22 Ca 0.03 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.30 2cck h VAL 22 Cb 0.91 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.31 2cck h VAL 22 CO 0.08 0.40 -0.17 0.22 0.02 0.00 0.00 177.57 178.13 2cck h TYR 23 N 0.20 -0.42 -0.03 1.57 3.20 -0.92 0.19 116.97 120.76 2cck h TYR 23 Ca 0.04 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.95 2cck h TYR 23 Cb 0.71 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.20 2cck h TYR 23 CO 0.07 -0.24 0.03 0.45 -1.64 0.00 0.00 178.16 176.84 2cck h HIS 24 N -0.16 0.00 0.14 -3.82 3.86 -1.22 -0.89 115.15 113.07 2cck h HIS 24 Ca 0.14 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.00 2cck h HIS 24 Cb 0.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2cck h HIS 24 CO -0.33 0.00 -1.81 0.00 0.86 0.00 0.00 177.93 176.65 2cck h ARG 25 N 0.00 0.29 -0.13 2.45 3.08 -0.94 -3.37 114.38 115.77 2cck h ARG 25 Ca 0.01 -0.50 -0.12 0.00 0.07 0.00 0.00 59.98 59.44 2cck h ARG 25 Cb 0.08 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2cck h ARG 25 CO -0.00 1.18 -0.44 -0.07 -1.07 0.00 0.00 179.97 179.57 2cck h LEU 26 N 0.08 0.33 -2.28 3.04 3.38 -0.60 -3.13 115.31 116.13 2cck h LEU 26 Ca -0.35 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.48 2cck h LEU 26 Cb 2.06 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.71 2cck h LEU 26 CO 0.14 0.73 0.24 1.62 0.09 0.00 0.00 178.44 181.26 2cck h VAL 27 N 0.25 0.09 -0.63 1.22 3.04 -1.33 0.16 116.25 119.05 2cck h VAL 27 Ca 0.02 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.65 2cck h VAL 27 Cb 0.88 0.77 -0.03 0.00 -2.01 0.00 0.00 31.29 30.91 2cck h VAL 27 CO 0.07 0.00 0.17 0.11 -1.01 0.00 0.00 177.57 176.91 2cck h LYS 28 N 0.00 1.00 0.00 4.17 1.57 -1.76 -3.34 116.57 118.22 2cck h LYS 28 Ca 0.02 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2cck h LYS 28 Cb 0.50 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2cck h LYS 28 CO -0.00 0.90 -0.63 -0.25 -0.57 0.00 0.00 179.45 178.90 2cck n ASP 29 N -4.34 1.60 -4.48 0.86 8.00 -0.70 -5.05 116.55 112.46 2cck n ASP 29 Ca 0.04 -0.38 -0.29 0.00 0.71 0.00 0.00 54.79 54.86 2cck n ASP 29 Cb 0.23 1.09 -0.12 0.00 -0.02 0.00 0.00 41.12 42.31 2cck n ASP 29 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2cck s TYR 30 N -1.83 2.50 -1.13 1.24 1.51 0.48 -5.03 117.35 115.09 2cck s TYR 30 Ca 0.00 -0.28 -0.18 0.00 -1.01 0.00 0.00 57.07 55.60 2cck s TYR 30 Cb 0.04 -1.32 0.10 0.00 -0.11 0.00 0.00 41.96 40.67 2cck s TYR 30 CO 0.22 0.39 1.46 0.34 -1.11 0.00 0.00 175.55 176.85 2cck s ASP 31 N -2.17 6.78 0.12 2.29 -1.08 -1.26 -4.41 116.67 116.94 2cck s ASP 31 Ca 0.18 -2.28 0.09 0.00 -0.52 0.00 0.00 52.55 50.02 2cck s ASP 31 Cb -0.10 -2.49 -0.04 0.00 -1.46 0.00 0.00 42.92 38.82 2cck s ASP 31 CO 0.10 -1.11 -0.19 0.54 0.52 0.00 0.00 175.17 175.02 2cck s VAL 32 N 3.38 2.79 0.04 1.11 0.11 -1.26 -0.45 120.40 126.11 2cck s VAL 32 Ca 0.45 -1.52 0.02 0.00 -2.93 0.00 0.00 61.98 58.00 2cck s VAL 32 Cb -0.01 -2.27 -0.02 0.00 -1.53 0.00 0.00 36.38 32.55 2cck s VAL 32 CO -0.02 0.10 -0.07 0.27 -3.33 0.00 0.00 175.10 172.06 2cck s ILE 33 N -1.13 0.46 -0.04 7.04 -4.36 -0.69 -4.94 121.20 117.54 2cck s ILE 33 Ca 0.18 -1.06 0.05 0.00 -0.26 0.00 0.00 60.65 59.55 2cck s ILE 33 Cb -0.11 -0.56 -0.02 0.00 1.25 0.00 0.00 42.46 43.02 2cck s ILE 33 CO 0.10 -0.41 -0.18 0.00 0.24 0.00 0.00 174.94 174.68 2cck s MET 34 N -1.59 2.43 0.18 0.37 0.23 -1.26 -1.23 119.30 118.43 2cck s MET 34 Ca -0.11 -0.78 -0.06 0.00 -1.03 0.00 0.00 55.69 53.71 2cck s MET 34 Cb -0.10 -2.27 -0.02 0.00 -1.53 0.00 0.00 34.83 30.91 2cck s MET 34 CO 0.00 0.57 0.24 -0.08 -2.03 0.00 0.00 175.02 173.72 2cck s THR 35 N -0.61 0.04 -0.22 3.16 -1.32 0.10 -4.95 115.64 111.85 2cck s THR 35 Ca 0.09 -1.66 -0.09 0.00 -1.21 0.00 0.00 61.69 58.82 2cck s THR 35 Cb -0.11 -2.13 0.09 0.00 -1.51 0.00 0.00 72.50 68.84 2cck s THR 35 CO 0.00 -0.19 0.49 -0.60 -2.21 0.00 0.00 174.62 172.12 2cck s ARG 36 N -4.05 0.43 0.25 7.08 3.52 -1.26 -0.89 118.95 124.03 2cck s ARG 36 Ca 0.25 1.07 -0.30 0.00 -0.13 0.00 0.00 55.73 56.62 2cck s ARG 36 Cb 0.04 0.31 -0.14 0.00 -1.56 0.00 0.00 34.95 33.60 2cck s ARG 36 CO 0.05 -0.21 1.18 0.39 -0.81 0.00 0.00 175.30 175.91 2cck n GLU 37 N 4.97 1.53 0.00 5.12 1.02 -1.26 0.98 120.64 133.00 2cck n GLU 37 Ca -0.14 0.54 0.16 0.00 -0.02 0.00 0.00 57.16 57.69 2cck n GLU 37 Cb 0.52 -2.04 0.87 0.00 -0.02 0.00 0.00 31.44 30.78 2cck n GLU 37 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2cck n PRO 38 N 1.33 0.81 -4.07 3.49 -0.04 -1.26 -5.01 135.00 130.25 2cck n PRO 38 Ca 0.11 -0.02 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 2cck n PRO 38 Cb 0.30 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2cck n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cck n GLY 39 N 1.10 -0.47 2.04 0.55 0.00 0.28 -2.07 105.19 106.61 2cck n GLY 39 Ca 0.21 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2cck n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cck n GLY 40 N -1.53 2.74 3.65 -0.02 0.00 -1.26 -4.94 105.19 103.82 2cck n GLY 40 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2cck n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cck s VAL 41 N -2.10 3.32 0.13 1.61 1.01 -0.88 -4.88 120.40 118.62 2cck s VAL 41 Ca 0.00 0.39 -0.31 0.00 0.00 0.00 0.00 61.98 62.06 2cck s VAL 41 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 2cck s VAL 41 CO 0.00 -0.06 1.52 -0.65 0.00 0.00 0.00 175.10 175.91 2cck h PRO 42 N 10.50 -0.24 -0.85 2.72 0.11 -1.95 0.38 132.00 142.67 2cck h PRO 42 Ca -0.43 0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.71 2cck h PRO 42 Cb 1.20 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 2cck h PRO 42 CO 0.95 -0.16 0.57 1.79 -0.21 0.00 0.00 178.00 180.94 2cck h THR 43 N -0.24 1.21 -0.52 -1.15 1.35 -1.98 0.38 112.91 111.95 2cck h THR 43 Ca 0.10 -0.39 0.04 0.00 -0.55 0.00 0.00 66.41 65.61 2cck h THR 43 Cb 0.50 -0.04 -0.04 0.00 -1.73 0.00 0.00 68.15 66.84 2cck h THR 43 CO -0.68 0.21 0.27 1.23 -0.25 0.00 0.00 175.52 176.30 2cck h GLY 44 N 1.15 0.73 0.97 5.82 0.00 -1.54 0.18 103.07 110.37 2cck h GLY 44 Ca 0.32 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 2cck h GLY 44 CO -0.07 0.13 0.15 0.83 0.00 0.00 0.00 176.54 177.57 2cck h GLU 45 N 0.53 0.76 -0.48 4.80 5.08 0.62 -1.38 114.58 124.52 2cck h GLU 45 Ca 0.22 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2cck h GLU 45 Cb 0.11 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2cck h GLU 45 CO -0.15 0.72 0.28 0.93 -1.00 0.00 0.00 179.01 179.80 2cck h GLU 46 N 0.66 0.55 0.03 2.33 4.39 0.39 -1.52 114.58 121.40 2cck h GLU 46 Ca 0.16 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2cck h GLU 46 Cb 0.28 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2cck h GLU 46 CO -0.00 0.36 -0.01 0.82 -1.16 0.00 0.00 179.01 179.01 2cck h ILE 47 N 0.56 1.10 -0.01 3.13 2.04 -0.45 -2.97 117.51 120.91 2cck h ILE 47 Ca 0.19 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.70 2cck h ILE 47 Cb 0.02 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 2cck h ILE 47 CO -0.09 0.10 -0.33 0.03 0.00 0.00 0.00 178.15 177.86 2cck h ARG 48 N -0.20 -0.45 -1.20 2.37 2.47 -1.12 -2.17 114.38 114.07 2cck h ARG 48 Ca -0.00 0.03 0.34 0.00 -1.26 0.00 0.00 59.98 59.09 2cck h ARG 48 Cb 0.19 0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 28.54 2cck h ARG 48 CO 0.01 -0.30 0.83 -0.22 0.56 0.00 0.00 179.97 180.84 2cck h LYS 49 N -0.47 0.13 -0.74 0.04 3.64 -1.22 0.35 116.57 118.29 2cck h LYS 49 Ca 0.06 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2cck h LYS 49 Cb 0.56 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2cck h LYS 49 CO -0.28 0.09 0.30 0.82 -2.27 0.00 0.00 179.45 178.12 2cck h ILE 50 N 0.14 1.25 0.20 2.00 2.04 -1.23 -1.79 117.51 120.12 2cck h ILE 50 Ca 0.63 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2cck h ILE 50 Cb 2.15 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 2cck h ILE 50 CO -0.15 0.31 -0.10 0.58 0.00 0.00 0.00 178.15 178.80 2cck h VAL 51 N 1.07 0.89 -0.22 1.67 2.07 -0.38 -2.98 116.25 118.37 2cck h VAL 51 Ca 0.25 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 67.07 2cck h VAL 51 Cb 0.19 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2cck h VAL 51 CO -0.02 0.16 0.44 -0.07 0.02 0.00 0.00 177.57 178.10 2cck h LEU 52 N -0.67 0.00 -6.53 2.57 3.38 -1.24 -3.49 115.31 109.33 2cck h LEU 52 Ca -0.03 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.25 2cck h LEU 52 Cb 0.47 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.87 2cck h LEU 52 CO 0.05 0.00 0.03 -0.62 0.09 0.00 0.00 178.44 177.98 2cck n GLU 53 N -3.26 3.41 0.00 1.13 1.02 -0.69 -5.09 120.64 117.16 2cck n GLU 53 Ca 0.03 -4.62 0.00 0.00 -0.02 0.00 0.00 57.16 52.55 2cck n GLU 53 Cb 0.56 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 2cck n GLU 53 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2cck n ASP 56 N 1.07 0.00 -4.73 1.62 10.43 -1.26 -5.01 116.55 118.67 2cck n ASP 56 Ca 0.28 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 57.22 2cck n ASP 56 Cb 0.37 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.31 2cck n ASP 56 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 2cck s MET 57 N 0.00 4.13 0.14 -1.24 -2.45 -1.26 -4.86 119.30 113.76 2cck s MET 57 Ca 0.00 2.58 -0.32 0.00 -1.25 0.00 0.00 55.69 56.70 2cck s MET 57 Cb 0.00 -3.06 -0.17 0.00 1.25 0.00 0.00 34.83 32.84 2cck s MET 57 CO 0.00 -0.70 0.83 -3.47 1.05 0.00 0.00 175.02 172.73 2cck n ASP 58 N 3.39 -0.24 0.23 1.11 -0.08 -1.26 -4.75 116.55 114.96 2cck n ASP 58 Ca 0.13 1.14 0.07 0.00 -1.51 0.00 0.00 54.79 54.62 2cck n ASP 58 Cb 0.36 -1.01 0.55 0.00 2.34 0.00 0.00 41.12 43.36 2cck n ASP 58 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2cck h ILE 59 N 1.95 1.03 -0.03 5.18 3.07 -1.99 -1.31 117.51 125.40 2cck h ILE 59 Ca -0.38 -0.56 -0.25 0.00 1.55 0.00 0.00 64.86 65.21 2cck h ILE 59 Cb 1.41 1.31 0.02 0.00 -0.27 0.00 0.00 36.82 39.29 2cck h ILE 59 CO 0.62 0.16 -0.98 0.03 -1.05 0.00 0.00 178.15 176.93 2cck h ARG 60 N 0.00 0.69 0.10 0.16 3.08 -1.99 -0.80 114.38 115.62 2cck h ARG 60 Ca -0.00 -0.70 0.01 0.00 0.07 0.00 0.00 59.98 59.36 2cck h ARG 60 Cb 0.30 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2cck h ARG 60 CO 0.02 1.29 -0.14 1.15 -1.07 0.00 0.00 179.97 181.22 2cck h THR 61 N 0.41 0.67 -0.59 2.04 2.02 -1.80 -0.62 112.91 115.04 2cck h THR 61 Ca -0.11 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.18 2cck h THR 61 Cb 1.62 0.67 -0.08 0.00 -1.74 0.00 0.00 68.15 68.62 2cck h THR 61 CO 0.19 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 175.90 2cck h GLU 62 N -0.29 0.28 -0.39 6.66 5.08 -1.23 -1.09 114.58 123.61 2cck h GLU 62 Ca 0.02 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2cck h GLU 62 Cb 0.30 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2cck h GLU 62 CO -0.07 0.19 0.20 0.00 -1.00 0.00 0.00 179.01 178.33 2cck h ALA 63 N 1.46 0.48 -0.49 3.43 0.00 -0.42 -1.17 119.26 122.55 2cck h ALA 63 Ca 0.31 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2cck h ALA 63 Cb 0.44 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2cck h ALA 63 CO -0.37 -0.15 0.10 0.52 0.00 0.00 0.00 179.25 179.34 2cck h MET 64 N 0.42 0.76 -0.43 0.00 2.86 -0.33 -0.66 114.93 117.55 2cck h MET 64 Ca 0.16 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 2cck h MET 64 Cb 0.05 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2cck h MET 64 CO -0.10 0.70 -0.11 -0.07 1.06 0.00 0.00 176.91 178.39 2cck h LEU 65 N 0.73 0.85 -1.25 1.22 3.38 -0.83 0.27 115.31 119.68 2cck h LEU 65 Ca 0.16 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2cck h LEU 65 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2cck h LEU 65 CO 0.00 1.02 0.04 -0.26 0.09 0.00 0.00 178.44 179.33 2cck h PHE 66 N 0.66 0.57 -0.19 1.13 0.05 -0.92 0.10 116.94 118.35 2cck h PHE 66 Ca 0.11 -0.05 -0.03 0.00 3.82 0.00 0.00 57.97 61.82 2cck h PHE 66 Cb 0.65 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 38.43 2cck h PHE 66 CO 0.05 0.53 0.02 0.00 -0.18 0.00 0.00 178.31 178.73 2cck h ALA 67 N 1.51 0.25 -0.55 2.45 0.00 -0.64 0.23 119.26 122.51 2cck h ALA 67 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2cck h ALA 67 Cb 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2cck h ALA 67 CO 0.00 -0.06 0.33 0.00 0.00 0.00 0.00 179.25 179.53 2cck h ALA 68 N 0.81 0.70 -0.84 0.00 0.00 -0.41 -0.81 119.26 118.71 2cck h ALA 68 Ca 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2cck h ALA 68 Cb 0.34 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2cck h ALA 68 CO 0.01 0.17 0.42 1.03 0.00 0.00 0.00 179.25 180.88 2cck h SER 69 N 0.74 1.08 -0.88 0.00 0.87 -0.63 -2.14 113.55 112.59 2cck h SER 69 Ca 0.20 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2cck h SER 69 Cb -0.02 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.62 2cck h SER 69 CO -0.04 0.90 0.50 -0.09 -0.53 0.00 0.00 176.83 177.57 2cck h ARG 70 N 1.18 1.21 -0.43 2.24 2.43 0.23 -2.15 114.38 119.08 2cck h ARG 70 Ca 0.29 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 2cck h ARG 70 Cb 0.09 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2cck h ARG 70 CO -0.04 0.87 -0.21 -0.09 -1.51 0.00 0.00 179.97 178.98 2cck h ARG 71 N 1.21 0.87 -0.24 0.20 2.43 -0.70 -1.19 114.38 116.96 2cck h ARG 71 Ca 0.31 -0.36 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2cck h ARG 71 Cb -0.01 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2cck h ARG 71 CO -0.05 1.00 0.14 0.93 -1.51 0.00 0.00 179.97 180.47 2cck h GLU 72 N 0.76 0.28 -0.52 0.20 4.39 -1.06 0.28 114.58 118.90 2cck h GLU 72 Ca 0.10 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2cck h GLU 72 Cb 0.75 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 2cck h GLU 72 CO 0.06 0.19 0.23 1.25 -1.16 0.00 0.00 179.01 179.57 2cck h HIS 73 N 0.29 0.73 -0.01 4.33 2.76 -1.29 0.17 115.15 122.13 2cck h HIS 73 Ca 0.09 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2cck h HIS 73 Cb -0.01 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.72 2cck h HIS 73 CO -0.08 0.55 -0.01 1.25 -1.30 0.00 0.00 177.93 178.34 2cck h LEU 74 N 0.73 0.02 -0.38 0.26 5.85 -0.43 -1.69 115.31 119.67 2cck h LEU 74 Ca 0.18 -0.54 -0.19 0.00 0.84 0.00 0.00 57.88 58.17 2cck h LEU 74 Cb 0.11 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2cck h LEU 74 CO -0.02 0.56 -0.77 0.58 -0.34 0.00 0.00 178.44 178.44 2cck h VAL 75 N -0.51 1.41 0.00 1.05 2.07 -0.32 -0.09 116.25 119.86 2cck h VAL 75 Ca 0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.26 2cck h VAL 75 Cb 0.55 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2cck h VAL 75 CO 0.00 0.67 -1.02 0.18 0.02 0.00 0.00 177.57 177.43 2cck n LEU 76 N -3.79 0.69 0.04 2.57 4.77 0.59 -4.42 117.00 117.45 2cck n LEU 76 Ca -0.04 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 2cck n LEU 76 Cb 0.73 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2cck n LEU 76 CO 0.48 0.14 -0.15 1.17 -1.33 0.00 0.00 177.39 177.70 2cck n LYS 77 N -1.72 0.00 0.11 3.23 4.81 -0.72 -4.78 118.16 119.08 2cck n LYS 77 Ca 0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.33 2cck n LYS 77 Cb 0.39 -0.27 -0.08 0.00 0.02 0.00 0.00 35.03 35.09 2cck n LYS 77 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2cck h VAL 78 N 0.00 0.90 0.26 3.15 2.07 -1.26 -2.63 116.25 118.74 2cck h VAL 78 Ca 0.00 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2cck h VAL 78 Cb 0.30 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2cck h VAL 78 CO 0.00 0.11 -0.12 0.40 0.02 0.00 0.00 177.57 177.98 2cck h ILE 79 N -0.50 0.75 -0.64 4.57 2.04 -1.26 0.18 117.51 122.65 2cck h ILE 79 Ca -0.03 -0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.01 2cck h ILE 79 Cb 0.38 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2cck h ILE 79 CO 0.04 0.00 0.46 -0.65 0.00 0.00 0.00 178.15 178.00 2cck h PRO 80 N -0.35 0.08 -0.08 2.37 0.11 -1.77 0.14 132.00 132.51 2cck h PRO 80 Ca -0.04 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 2cck h PRO 80 Cb 0.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.36 2cck h PRO 80 CO 0.06 0.05 -0.25 0.00 -0.21 0.00 0.00 178.00 177.65 2cck h ALA 81 N 1.68 0.13 0.00 -0.75 0.00 -0.91 -2.40 119.26 117.02 2cck h ALA 81 Ca 0.31 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2cck h ALA 81 Cb 1.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2cck h ALA 81 CO -0.03 0.13 -0.05 -0.07 0.00 0.00 0.00 179.25 179.23 2cck h LEU 82 N -0.19 0.00 -0.63 0.00 3.38 0.11 -0.64 115.31 117.34 2cck h LEU 82 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2cck h LEU 82 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2cck h LEU 82 CO 0.05 0.05 -0.46 0.11 0.09 0.00 0.00 178.44 178.28 2cck h LYS 83 N 0.00 0.00 0.00 1.13 1.57 -0.71 -2.21 116.57 116.35 2cck h LYS 83 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2cck h LYS 83 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2cck h LYS 83 CO 0.01 0.46 0.00 0.39 -0.57 0.00 0.00 179.45 179.73 2cck n GLU 84 N -3.45 0.58 -0.90 3.15 1.02 -0.28 -4.88 120.64 115.88 2cck n GLU 84 Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2cck n GLU 84 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 2cck n GLU 84 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cck n GLY 85 N 0.94 0.48 3.90 0.62 0.00 -0.83 -5.05 105.19 105.25 2cck n GLY 85 Ca 0.16 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 2cck n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cck s LYS 86 N -1.10 2.98 -0.20 1.61 1.02 -1.03 -3.81 119.74 119.21 2cck s LYS 86 Ca 0.00 0.23 -0.14 0.00 0.02 0.00 0.00 55.97 56.09 2cck s LYS 86 Cb 0.00 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 2cck s LYS 86 CO 0.00 -0.78 0.29 0.08 -0.92 0.00 0.00 175.35 174.02 2cck s VAL 87 N -3.12 5.29 -0.24 3.17 1.01 0.40 -2.47 120.40 124.43 2cck s VAL 87 Ca 0.55 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.99 2cck s VAL 87 Cb -0.11 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2cck s VAL 87 CO 0.48 0.33 -0.01 -0.69 0.00 0.00 0.00 175.10 175.21 2cck s VAL 88 N 0.91 3.48 -0.37 2.92 1.01 0.18 -1.70 120.40 126.83 2cck s VAL 88 Ca 0.15 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 2cck s VAL 88 Cb -0.14 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 2cck s VAL 88 CO 0.05 0.30 0.35 -0.76 0.00 0.00 0.00 175.10 175.03 2cck s LEU 89 N 1.47 4.65 -0.18 3.92 1.43 -0.37 0.47 118.68 130.06 2cck s LEU 89 Ca 0.04 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2cck s LEU 89 Cb -0.15 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 2cck s LEU 89 CO -0.02 -0.39 -0.09 0.00 0.23 0.00 0.00 176.35 176.08 2cck s ASP 91 N 1.04 6.33 0.12 0.00 -1.08 -0.07 -0.31 116.67 122.69 2cck s ASP 91 Ca -0.00 -0.26 0.00 0.00 -0.52 0.00 0.00 52.55 51.77 2cck s ASP 91 Cb -0.15 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 2cck s ASP 91 CO -0.01 -1.47 0.00 0.54 0.52 0.00 0.00 175.17 174.75 2cck n ARG 92 N 8.24 -1.09 0.00 4.34 1.74 0.05 -4.46 116.66 125.48 2cck n ARG 92 Ca 0.04 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 2cck n ARG 92 Cb 0.48 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 2cck n ARG 92 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2cck n TYR 93 N -0.90 0.00 -0.34 -1.55 9.36 -1.26 -4.76 117.16 117.70 2cck n TYR 93 Ca 0.00 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.39 2cck n TYR 93 Cb 0.00 0.00 0.38 0.00 -0.63 0.00 0.00 39.34 39.09 2cck n TYR 93 CO 0.00 0.00 0.00 -0.84 0.22 0.00 0.00 176.86 176.24 2cck h ILE 94 N 0.00 0.58 -0.71 2.97 3.07 -1.99 -1.70 117.51 119.72 2cck h ILE 94 Ca 0.00 -0.21 0.01 0.00 1.55 0.00 0.00 64.86 66.21 2cck h ILE 94 Cb 0.00 -0.09 -0.04 0.00 -0.27 0.00 0.00 36.82 36.43 2cck h ILE 94 CO 0.00 0.11 0.47 0.44 -1.05 0.00 0.00 178.15 178.12 2cck h ASP 95 N 0.61 0.80 -0.10 2.16 3.45 -1.99 -2.02 116.42 119.34 2cck h ASP 95 Ca 0.62 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 58.07 2cck h ASP 95 Cb 1.17 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.74 2cck h ASP 95 CO -0.44 0.58 0.06 0.28 -1.57 0.00 0.00 179.24 178.15 2cck h SER 96 N 0.95 0.10 -0.94 6.45 0.02 -1.70 -0.83 113.55 117.60 2cck h SER 96 Ca 0.27 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 2cck h SER 96 Cb -0.08 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 2cck h SER 96 CO -0.06 0.07 0.60 0.28 -1.14 0.00 0.00 176.83 176.59 2cck h SER 97 N 0.12 0.97 0.22 3.07 0.02 -1.44 0.23 113.55 116.73 2cck h SER 97 Ca 0.04 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2cck h SER 97 Cb -0.01 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.33 2cck h SER 97 CO -0.01 0.63 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.13 2cck h LEU 98 N 1.11 -0.25 -0.62 5.07 3.38 -0.88 0.13 115.31 123.25 2cck h LEU 98 Ca 0.40 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.19 2cck h LEU 98 Cb 0.14 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2cck h LEU 98 CO -0.16 -0.11 -0.37 0.00 0.09 0.00 0.00 178.44 177.88 2cck h ALA 99 N 0.41 0.80 0.00 1.53 0.00 -0.78 0.34 119.26 121.56 2cck h ALA 99 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2cck h ALA 99 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2cck h ALA 99 CO 0.05 0.65 -0.20 1.88 0.00 0.00 0.00 179.25 181.63 2cck h TYR 100 N 0.56 0.00 -0.03 0.00 -1.99 -0.55 -0.67 116.97 114.29 2cck h TYR 100 Ca 0.05 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 2cck h TYR 100 Cb 0.89 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.62 2cck h TYR 100 CO 0.04 0.00 -0.13 1.96 -0.00 0.00 0.00 178.16 180.03 2cck h GLN 101 N -0.94 0.13 0.64 4.88 7.50 -0.94 0.12 115.11 126.49 2cck h GLN 101 Ca 0.00 -0.11 -0.03 0.00 0.50 0.00 0.00 58.65 59.01 2cck h GLN 101 Cb 0.20 0.02 0.01 0.00 0.05 0.00 0.00 27.48 27.76 2cck h GLN 101 CO 0.00 0.77 -0.31 0.78 -1.50 0.00 0.00 178.83 178.57 2cck h GLY 102 N -0.47 -0.89 0.00 3.46 0.00 -0.64 -2.65 103.07 101.87 2cck h GLY 102 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2cck h GLY 102 CO 0.03 -0.32 0.00 2.98 0.00 0.00 0.00 176.54 179.22 2cck n TYR 103 N -5.08 0.00 -0.27 5.60 9.36 0.04 -0.33 117.16 126.48 2cck n TYR 103 Ca -0.11 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.26 2cck n TYR 103 Cb 0.34 -0.30 0.41 0.00 -0.63 0.00 0.00 39.34 39.16 2cck n TYR 103 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2cck h ALA 104 N -2.00 1.92 0.00 2.98 0.00 -1.09 -2.54 119.26 118.54 2cck h ALA 104 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2cck h ALA 104 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2cck h ALA 104 CO 0.00 -0.20 -0.76 -2.13 0.00 0.00 0.00 179.25 176.16 2cck n ARG 105 N -4.57 0.12 -0.25 0.00 3.00 0.40 -4.98 116.66 110.38 2cck n ARG 105 Ca 0.19 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 2cck n ARG 105 Cb 0.55 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.47 2cck n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2cck n GLY 106 N 1.44 0.74 0.23 5.14 0.00 -0.96 -4.96 105.19 106.83 2cck n GLY 106 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2cck n GLY 106 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2cck h ILE 107 N 0.00 1.30 0.00 -0.61 2.04 -1.26 -3.49 117.51 115.49 2cck h ILE 107 Ca 0.00 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.23 2cck h ILE 107 Cb 0.00 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2cck h ILE 107 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 178.15 179.28 2cck n GLY 108 N 0.09 2.73 0.45 5.37 0.00 0.55 -4.72 105.19 109.67 2cck n GLY 108 Ca -0.02 -1.06 0.28 0.00 0.00 0.00 0.00 46.02 45.22 2cck n GLY 108 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2cck h VAL 109 N 0.00 0.47 0.00 1.61 2.07 -1.85 -2.06 116.25 116.50 2cck h VAL 109 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2cck h VAL 109 Cb 0.00 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2cck h VAL 109 CO 0.00 0.04 0.00 -0.62 0.02 0.00 0.00 177.57 177.01 2cck n GLU 110 N -4.46 0.00 -0.18 1.57 4.71 -1.26 -0.80 120.64 120.21 2cck n GLU 110 Ca 0.25 0.66 -0.06 0.00 -0.01 0.00 0.00 57.16 58.00 2cck n GLU 110 Cb 1.02 -1.41 0.04 0.00 -1.01 0.00 0.00 31.44 30.08 2cck n GLU 110 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2cck h GLU 111 N 0.00 0.67 -0.72 3.49 5.08 -1.71 -2.55 114.58 118.84 2cck h GLU 111 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2cck h GLU 111 Cb 0.00 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 2cck h GLU 111 CO 0.00 0.44 0.47 0.28 -1.00 0.00 0.00 179.01 179.20 2cck h VAL 112 N 0.69 1.19 -0.58 3.13 2.07 -1.39 -0.83 116.25 120.52 2cck h VAL 112 Ca 0.21 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 2cck h VAL 112 Cb -0.03 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 2cck h VAL 112 CO -0.07 0.19 0.07 -0.09 0.02 0.00 0.00 177.57 177.69 2cck h ARG 113 N 0.99 0.98 -0.72 1.57 2.43 -0.57 -0.59 114.38 118.46 2cck h ARG 113 Ca 0.26 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2cck h ARG 113 Cb -0.10 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 2cck h ARG 113 CO -0.06 0.94 0.28 0.00 -1.51 0.00 0.00 179.97 179.62 2cck h ALA 114 N 1.00 1.13 0.23 2.80 0.00 -1.05 -0.25 119.26 123.13 2cck h ALA 114 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2cck h ALA 114 Cb 0.45 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2cck h ALA 114 CO 0.02 0.62 -0.11 1.25 0.00 0.00 0.00 179.25 181.02 2cck h LEU 115 N 1.04 -0.27 -1.15 0.00 5.85 -0.82 -1.98 115.31 117.99 2cck h LEU 115 Ca 0.24 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2cck h LEU 115 Cb 0.21 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2cck h LEU 115 CO -0.02 -0.12 0.21 0.78 -0.34 0.00 0.00 178.44 178.95 2cck h ASN 116 N -0.40 0.74 -0.14 1.25 2.35 -0.86 -1.17 115.58 117.35 2cck h ASN 116 Ca -0.03 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 2cck h ASN 116 Cb 0.30 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2cck h ASN 116 CO 0.05 0.68 -0.03 -0.33 -1.65 0.00 0.00 177.43 176.15 2cck h GLU 117 N 0.79 0.40 -0.47 0.81 5.08 -0.93 0.30 114.58 120.57 2cck h GLU 117 Ca 0.19 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 2cck h GLU 117 Cb 0.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2cck h GLU 117 CO -0.02 0.46 -0.15 0.35 -1.00 0.00 0.00 179.01 178.65 2cck h PHE 118 N 0.39 1.00 -0.17 4.33 3.57 -0.47 -1.44 116.94 124.14 2cck h PHE 118 Ca 0.08 -0.21 -0.22 0.00 3.53 0.00 0.00 57.97 61.16 2cck h PHE 118 Cb 0.31 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 38.81 2cck h PHE 118 CO 0.01 0.98 -0.74 0.00 -2.23 0.00 0.00 178.31 176.32 2cck h ALA 119 N 1.03 0.35 0.00 2.41 0.00 -0.06 -3.32 119.26 119.67 2cck h ALA 119 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2cck h ALA 119 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2cck h ALA 119 CO 0.05 0.69 -0.78 -0.84 0.00 0.00 0.00 179.25 178.37 2cck h ILE 120 N 0.55 0.00 -6.40 0.00 3.07 -0.51 -3.41 117.51 110.81 2cck h ILE 120 Ca -0.04 -0.61 -0.48 0.00 1.55 0.00 0.00 64.86 65.28 2cck h ILE 120 Cb 1.37 1.13 0.03 0.00 -0.27 0.00 0.00 36.82 39.08 2cck h ILE 120 CO 0.15 0.00 -0.93 -3.20 -1.05 0.00 0.00 178.15 173.12 2cck n ASN 121 N -2.23 -3.58 0.00 2.16 5.15 -0.55 -1.60 115.26 114.62 2cck n ASN 121 Ca 0.02 -1.05 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 2cck n ASN 121 Cb 0.47 -3.05 0.00 0.00 -0.53 0.00 0.00 39.78 36.66 2cck n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2cck n GLY 122 N -1.83 1.01 3.46 8.20 0.00 -1.26 -4.96 105.19 109.80 2cck n GLY 122 Ca -0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 2cck n GLY 122 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cck s LEU 123 N 0.00 5.05 0.37 0.99 2.96 -0.63 -5.00 118.68 122.42 2cck s LEU 123 Ca 0.00 -2.75 -0.08 0.00 -0.22 0.00 0.00 54.13 51.08 2cck s LEU 123 Cb 0.00 -2.40 -0.06 0.00 0.50 0.00 0.00 46.19 44.23 2cck s LEU 123 CO 0.00 -0.83 0.69 -0.31 -1.32 0.00 0.00 176.35 174.59 2cck s TYR 124 N 1.87 3.48 0.45 5.38 1.51 -1.26 -4.94 117.35 123.83 2cck s TYR 124 Ca 0.40 0.88 -0.25 0.00 -1.01 0.00 0.00 57.07 57.09 2cck s TYR 124 Cb -0.03 -2.31 -0.09 0.00 -0.11 0.00 0.00 41.96 39.42 2cck s TYR 124 CO -0.02 -0.02 1.28 -2.30 -1.11 0.00 0.00 175.55 173.37 2cck n PRO 125 N -1.27 1.88 0.04 -1.71 -0.02 -1.26 -4.90 135.00 127.77 2cck n PRO 125 Ca 0.01 0.67 -0.09 0.00 -2.02 0.00 0.00 63.50 62.07 2cck n PRO 125 Cb 0.54 -2.42 0.04 0.00 -0.02 0.00 0.00 33.50 31.65 2cck n PRO 125 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2cck h ASP 126 N 1.95 0.51 -3.60 2.55 3.32 -1.22 -3.45 116.42 116.47 2cck h ASP 126 Ca -0.48 -0.31 -0.18 0.00 0.02 0.00 0.00 57.03 56.07 2cck h ASP 126 Cb 1.30 -0.15 -0.28 0.00 0.22 0.00 0.00 39.33 40.42 2cck h ASP 126 CO 0.59 1.03 -0.47 -0.22 -1.72 0.00 0.00 179.24 178.45 2cck s LEU 127 N -8.08 0.82 -0.15 1.55 2.96 -1.07 -4.76 118.68 109.95 2cck s LEU 127 Ca -0.06 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 2cck s LEU 127 Cb 0.11 0.74 0.03 0.00 0.50 0.00 0.00 46.19 47.57 2cck s LEU 127 CO 0.84 -0.12 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.76 2cck s THR 128 N 0.64 1.35 -0.17 3.68 2.01 -0.27 -1.44 115.64 121.44 2cck s THR 128 Ca -0.04 -0.59 -0.20 0.00 0.31 0.00 0.00 61.69 61.16 2cck s THR 128 Cb -0.06 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 2cck s THR 128 CO -0.04 0.33 0.60 -0.63 -0.69 0.00 0.00 174.62 174.20 2cck s ILE 129 N 1.56 5.06 -0.32 1.82 -1.09 -0.58 -0.74 121.20 126.90 2cck s ILE 129 Ca 0.03 1.15 -0.06 0.00 -2.23 0.00 0.00 60.65 59.54 2cck s ILE 129 Cb -0.14 -3.92 0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2cck s ILE 129 CO -0.09 0.17 0.09 -0.47 -1.23 0.00 0.00 174.94 173.41 2cck s TYR 130 N 1.54 3.21 -0.76 3.97 5.04 -0.75 -0.73 117.35 128.87 2cck s TYR 130 Ca 0.29 -1.28 -0.27 0.00 -2.44 0.00 0.00 57.07 53.37 2cck s TYR 130 Cb -0.16 -2.26 0.03 0.00 0.35 0.00 0.00 41.96 39.92 2cck s TYR 130 CO 0.11 -0.68 1.30 -0.51 -1.34 0.00 0.00 175.55 174.43 2cck s LEU 131 N 1.43 3.19 -0.63 6.97 1.43 0.18 -1.47 118.68 129.78 2cck s LEU 131 Ca -0.00 -0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 52.32 2cck s LEU 131 Cb -0.19 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.52 2cck s LEU 131 CO 0.03 -1.82 1.08 0.21 0.23 0.00 0.00 176.35 176.08 2cck s ASN 132 N 3.85 6.28 0.02 2.29 2.47 -0.22 -4.50 114.94 125.13 2cck s ASN 132 Ca 0.36 -0.43 0.08 0.00 0.42 0.00 0.00 52.86 53.29 2cck s ASN 132 Cb -0.07 -2.48 -0.03 0.00 -1.45 0.00 0.00 41.25 37.22 2cck s ASN 132 CO 0.13 -1.47 -0.25 0.54 -3.72 0.00 0.00 177.10 172.33 2cck s VAL 133 N 4.60 2.23 0.65 -5.21 0.11 -1.26 -0.27 120.40 121.25 2cck s VAL 133 Ca 0.32 -1.25 -0.13 0.00 -2.93 0.00 0.00 61.98 57.99 2cck s VAL 133 Cb -0.11 -1.85 -0.01 0.00 -1.53 0.00 0.00 36.38 32.88 2cck s VAL 133 CO 0.17 0.44 1.07 -0.94 -3.33 0.00 0.00 175.10 172.51 2cck s SER 134 N -1.04 5.45 0.26 3.54 1.04 -1.26 -4.85 113.70 116.83 2cck s SER 134 Ca 0.11 1.77 -0.05 0.00 0.48 0.00 0.00 55.95 58.26 2cck s SER 134 Cb -0.10 -2.52 0.29 0.00 0.10 0.00 0.00 66.02 63.79 2cck s SER 134 CO 0.01 -1.40 1.92 0.00 0.98 0.00 0.00 173.24 174.76 2cck h ALA 135 N -0.16 1.29 0.17 5.32 0.00 -1.98 -0.29 119.26 123.60 2cck h ALA 135 Ca -0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2cck h ALA 135 Cb 1.22 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2cck h ALA 135 CO 0.56 0.65 -0.08 0.93 0.00 0.00 0.00 179.25 181.31 2cck h GLU 136 N 1.30 -0.22 -0.55 0.00 3.07 -1.99 0.22 114.58 116.41 2cck h GLU 136 Ca 0.35 0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.13 2cck h GLU 136 Cb -0.12 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 2cck h GLU 136 CO -0.07 -0.08 -0.02 0.28 -1.40 0.00 0.00 179.01 177.71 2cck h VAL 137 N -0.31 1.27 -0.28 3.13 2.07 -1.93 -2.48 116.25 117.72 2cck h VAL 137 Ca -0.02 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.36 2cck h VAL 137 Cb 0.24 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2cck h VAL 137 CO 0.04 0.41 0.15 1.23 0.02 0.00 0.00 177.57 179.42 2cck h GLY 138 N 0.87 0.38 0.37 2.17 0.00 -0.90 -2.12 103.07 103.83 2cck h GLY 138 Ca 0.15 -0.11 0.09 0.00 0.00 0.00 0.00 47.33 47.46 2cck h GLY 138 CO 0.03 0.09 0.16 -0.09 0.00 0.00 0.00 176.54 176.74 2cck h ARG 139 N 0.31 0.31 -0.56 4.80 2.43 -0.39 -0.90 114.38 120.38 2cck h ARG 139 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2cck h ARG 139 Cb 0.02 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 2cck h ARG 139 CO -0.07 0.20 0.36 0.93 -1.51 0.00 0.00 179.97 179.89 2cck h GLU 140 N 0.32 0.75 -0.79 0.20 4.39 -0.97 -0.95 114.58 117.53 2cck h GLU 140 Ca 0.28 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.89 2cck h GLU 140 Cb 0.36 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2cck h GLU 140 CO -0.32 0.51 0.35 0.00 -1.16 0.00 0.00 179.01 178.39 2cck h ARG 141 N 0.76 1.15 -0.37 2.33 3.08 -0.81 -0.94 114.38 119.58 2cck h ARG 141 Ca 0.20 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2cck h ARG 141 Cb -0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 2cck h ARG 141 CO -0.04 0.91 0.20 0.82 -1.07 0.00 0.00 179.97 180.79 2cck h ILE 142 N 1.13 1.15 0.22 2.04 2.04 -0.62 -1.04 117.51 122.43 2cck h ILE 142 Ca 0.27 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2cck h ILE 142 Cb 0.16 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2cck h ILE 142 CO -0.03 0.15 -0.11 0.40 0.00 0.00 0.00 178.15 178.57 2cck h ILE 143 N 0.47 0.83 -0.57 -0.67 2.04 -0.82 -2.74 117.51 116.06 2cck h ILE 143 Ca 0.13 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.83 2cck h ILE 143 Cb 0.06 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2cck h ILE 143 CO -0.02 0.06 0.38 0.07 0.00 0.00 0.00 178.15 178.64 2cck h LYS 144 N -0.42 0.41 -0.94 2.37 2.10 -1.10 -0.13 116.57 118.85 2cck h LYS 144 Ca -0.03 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 2cck h LYS 144 Cb 0.32 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 2cck h LYS 144 CO 0.05 0.27 0.01 0.09 -2.00 0.00 0.00 179.45 177.87 2cck n ASN 145 N -4.47 1.95 0.00 7.07 3.02 -0.40 -5.10 115.26 117.33 2cck n ASN 145 Ca 0.09 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.47 2cck n ASN 145 Cb 0.33 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 2cck n ASN 145 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2cck n SER 146 N 0.12 0.00 -4.66 6.41 7.64 -0.07 -5.03 113.62 118.03 2cck n SER 146 Ca 0.05 0.00 -0.58 0.00 1.01 0.00 0.00 58.87 59.35 2cck n SER 146 Cb 0.44 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 2cck n SER 146 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2cck n ARG 151 N 0.00 0.79 -2.61 1.43 1.74 -1.26 -5.10 116.66 111.66 2cck n ARG 151 Ca 0.00 0.29 -0.35 0.00 -0.77 0.00 0.00 57.85 57.02 2cck n ARG 151 Cb 0.00 -1.90 -0.04 0.00 -1.02 0.00 0.00 32.46 29.49 2cck n ARG 151 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cck s LEU 152 N 2.20 3.98 0.40 0.55 1.43 -1.26 -5.01 118.68 120.98 2cck s LEU 152 Ca 0.95 1.91 -0.27 0.00 -1.03 0.00 0.00 54.13 55.70 2cck s LEU 152 Cb -1.15 -4.41 -0.09 0.00 0.03 0.00 0.00 46.19 40.57 2cck s LEU 152 CO 0.63 -0.57 1.39 -0.62 0.23 0.00 0.00 176.35 177.40 2cck s ASP 153 N -1.86 6.27 0.51 2.29 -1.08 -1.26 -4.83 116.67 116.71 2cck s ASP 153 Ca 0.62 2.84 0.26 0.00 -0.52 0.00 0.00 52.55 55.75 2cck s ASP 153 Cb -0.17 -2.65 1.36 0.00 -1.46 0.00 0.00 42.92 40.00 2cck s ASP 153 CO 0.21 -0.90 1.92 -0.61 0.52 0.00 0.00 175.17 176.32 2cck h GLN 154 N 2.78 0.09 -0.13 4.34 4.15 -1.99 -0.46 115.11 123.89 2cck h GLN 154 Ca -0.50 -0.01 -0.20 0.00 0.77 0.00 0.00 58.65 58.71 2cck h GLN 154 Cb 1.25 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.93 2cck h GLN 154 CO 0.63 0.06 -0.70 1.49 -1.93 0.00 0.00 178.83 178.37 2cck h GLU 155 N 0.09 0.70 -0.38 1.69 4.81 -1.99 -2.60 114.58 116.90 2cck h GLU 155 Ca 0.37 -0.58 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 2cck h GLU 155 Cb 1.34 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 2cck h GLU 155 CO -0.04 1.20 0.01 -0.44 -0.73 0.00 0.00 179.01 179.01 2cck h ASP 156 N 0.39 0.65 -0.79 1.04 3.32 -1.49 -0.97 116.42 118.57 2cck h ASP 156 Ca -0.05 -0.30 0.08 0.00 0.02 0.00 0.00 57.03 56.77 2cck h ASP 156 Cb 1.34 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.66 2cck h ASP 156 CO 0.15 0.79 0.46 -0.07 -1.72 0.00 0.00 179.24 178.84 2cck h LEU 157 N 0.49 0.68 -0.08 1.55 3.38 -1.32 0.17 115.31 120.18 2cck h LEU 157 Ca 0.11 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2cck h LEU 157 Cb 0.45 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2cck h LEU 157 CO 0.02 0.42 0.02 0.50 0.09 0.00 0.00 178.44 179.48 2cck h LYS 158 N 0.81 0.13 -0.73 1.13 1.63 -1.14 -1.40 116.57 117.00 2cck h LYS 158 Ca 0.36 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.13 2cck h LYS 158 Cb 0.26 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 2cck h LYS 158 CO -0.21 0.34 0.48 0.35 -3.45 0.00 0.00 179.45 176.95 2cck h PHE 159 N -0.09 0.92 -0.32 1.91 3.04 -0.76 -1.15 116.94 120.49 2cck h PHE 159 Ca 0.03 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.04 2cck h PHE 159 Cb 0.27 -0.31 -0.04 0.00 2.56 0.00 0.00 35.95 38.42 2cck h PHE 159 CO 0.01 0.59 0.04 1.25 -2.02 0.00 0.00 178.31 178.18 2cck h HIS 160 N 0.99 0.07 -0.88 0.41 2.76 -0.51 -0.70 115.15 117.28 2cck h HIS 160 Ca 0.27 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.48 2cck h HIS 160 Cb -0.10 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 28.83 2cck h HIS 160 CO -0.02 -0.00 0.58 0.93 -1.30 0.00 0.00 177.93 178.12 2cck h GLU 161 N 0.15 1.11 -0.15 5.26 5.08 -0.54 -2.22 114.58 123.27 2cck h GLU 161 Ca 0.15 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 2cck h GLU 161 Cb 0.18 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2cck h GLU 161 CO -0.21 0.73 -0.38 0.87 -1.00 0.00 0.00 179.01 179.03 2cck h LYS 162 N 1.14 0.33 -0.29 2.33 1.57 -0.23 -1.56 116.57 119.86 2cck h LYS 162 Ca 0.34 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2cck h LYS 162 Cb -0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2cck h LYS 162 CO -0.09 0.66 0.06 0.28 -0.57 0.00 0.00 179.45 179.79 2cck h VAL 163 N 0.28 1.22 -0.28 0.50 2.07 -0.59 0.17 116.25 119.62 2cck h VAL 163 Ca 0.03 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.82 2cck h VAL 163 Cb 0.79 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2cck h VAL 163 CO 0.06 0.24 0.15 0.40 0.02 0.00 0.00 177.57 178.45 2cck h ILE 164 N 0.31 1.02 -0.87 4.57 2.04 -1.17 -0.48 117.51 122.93 2cck h ILE 164 Ca 0.09 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2cck h ILE 164 Cb 0.30 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2cck h ILE 164 CO 0.00 0.06 0.57 -0.33 0.00 0.00 0.00 178.15 178.45 2cck h GLU 165 N 0.32 1.13 -0.14 2.37 5.08 -1.16 0.12 114.58 122.29 2cck h GLU 165 Ca 0.11 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2cck h GLU 165 Cb 0.01 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 2cck h GLU 165 CO -0.06 0.75 0.03 0.78 -1.00 0.00 0.00 179.01 179.51 2cck h GLY 166 N 1.17 0.16 1.36 -3.84 0.00 0.09 -0.71 103.07 101.30 2cck h GLY 166 Ca 0.32 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.59 2cck h GLY 166 CO -0.07 0.00 0.14 -0.97 0.00 0.00 0.00 176.54 175.64 2cck h TYR 167 N 0.09 0.82 0.04 5.60 0.05 -0.44 -1.77 116.97 121.37 2cck h TYR 167 Ca 0.06 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 58.80 2cck h TYR 167 Cb 0.05 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.51 2cck h TYR 167 CO -0.12 0.69 -0.27 1.96 -1.05 0.00 0.00 178.16 179.36 2cck h GLN 168 N 0.78 -0.43 -0.76 4.88 7.50 0.07 -0.52 115.11 126.62 2cck h GLN 168 Ca 0.17 0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.38 2cck h GLN 168 Cb 0.27 0.10 -0.04 0.00 0.05 0.00 0.00 27.48 27.85 2cck h GLN 168 CO -0.00 -0.28 0.49 1.49 -1.50 0.00 0.00 178.83 179.02 2cck h GLU 169 N -0.44 0.94 0.15 1.46 4.57 -0.97 -3.06 114.58 117.22 2cck h GLU 169 Ca 0.05 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2cck h GLU 169 Cb 0.51 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2cck h GLU 169 CO -0.21 0.62 -0.07 0.82 -1.18 0.00 0.00 179.01 178.99 2cck h ILE 170 N 0.96 0.87 -3.77 2.32 2.04 -0.69 -3.52 117.51 115.73 2cck h ILE 170 Ca 0.30 -0.03 -0.49 0.00 1.00 0.00 0.00 64.86 65.64 2cck h ILE 170 Cb -0.01 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2cck h ILE 170 CO -0.10 0.01 0.30 0.27 0.00 0.00 0.00 178.15 178.63 2cck s ILE 171 N -6.10 4.22 0.00 -0.67 -4.36 -0.26 -5.10 121.20 108.93 2cck s ILE 171 Ca -0.14 1.84 0.00 0.00 -0.26 0.00 0.00 60.65 62.09 2cck s ILE 171 Cb 0.05 -4.12 0.00 0.00 1.25 0.00 0.00 42.46 39.65 2cck s ILE 171 CO 0.65 0.31 0.00 -2.11 0.24 0.00 0.00 174.94 174.03 2cck n ARG 177 N 1.01 0.00 -2.22 0.37 1.85 -1.26 -5.08 116.66 111.32 2cck n ARG 177 Ca -0.01 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 2cck n ARG 177 Cb 0.49 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.87 2cck n ARG 177 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2cck s PHE 178 N 0.00 3.28 -0.29 2.89 2.99 -1.26 -1.11 117.98 124.47 2cck s PHE 178 Ca 0.00 1.13 -0.02 0.00 0.00 0.00 0.00 56.93 58.04 2cck s PHE 178 Cb 0.00 -3.61 0.10 0.00 0.00 0.00 0.00 43.02 39.51 2cck s PHE 178 CO 0.00 -2.00 0.10 0.15 -0.00 0.00 0.00 175.22 173.47 2cck s LYS 179 N 0.49 0.54 0.17 0.44 -0.14 0.08 -4.93 119.74 116.38 2cck s LYS 179 Ca 0.60 -0.85 -0.29 0.00 -1.36 0.00 0.00 55.97 54.07 2cck s LYS 179 Cb -0.36 -1.73 -0.07 0.00 -1.68 0.00 0.00 37.83 33.99 2cck s LYS 179 CO 0.34 -0.97 0.91 0.45 -0.76 0.00 0.00 175.35 175.32 2cck s SER 180 N 1.79 7.53 0.03 2.83 0.15 -1.26 -1.80 113.70 122.96 2cck s SER 180 Ca 0.09 1.81 0.08 0.00 0.70 0.00 0.00 55.95 58.63 2cck s SER 180 Cb -0.17 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.54 2cck s SER 180 CO -0.28 0.07 -0.24 -0.69 1.20 0.00 0.00 173.24 173.30 2cck s VAL 181 N -0.66 1.95 -0.63 4.45 1.01 -0.54 -4.92 120.40 121.06 2cck s VAL 181 Ca 0.42 -1.23 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 2cck s VAL 181 Cb -0.24 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.49 2cck s VAL 181 CO 0.30 0.38 1.52 0.21 0.00 0.00 0.00 175.10 177.51 2cck s ASN 182 N -1.02 5.85 0.00 3.32 3.84 -1.26 -1.06 114.94 124.61 2cck s ASN 182 Ca 0.10 0.08 0.08 0.00 0.21 0.00 0.00 52.86 53.33 2cck s ASN 182 Cb -0.09 -2.54 0.27 0.00 -0.55 0.00 0.00 41.25 38.33 2cck s ASN 182 CO 0.01 -1.97 1.21 0.00 -2.79 0.00 0.00 177.10 173.56 2cck n ALA 183 N 10.57 2.48 1.08 1.71 0.00 0.63 -3.34 120.51 133.63 2cck n ALA 183 Ca 0.12 -0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.34 2cck n ALA 183 Cb 0.50 -1.01 0.32 0.00 0.00 0.00 0.00 19.45 19.26 2cck n ALA 183 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2cck n ASP 184 N 0.05 0.58 -4.59 0.00 8.00 -1.25 -4.75 116.55 114.59 2cck n ASP 184 Ca 0.08 -0.36 -0.28 0.00 0.71 0.00 0.00 54.79 54.94 2cck n ASP 184 Cb 0.17 0.16 0.12 0.00 -0.02 0.00 0.00 41.12 41.56 2cck n ASP 184 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2cck s GLN 185 N -2.86 1.48 0.59 -1.24 -0.21 -1.21 -5.00 119.66 111.20 2cck s GLN 185 Ca 0.15 -0.31 -0.19 0.00 0.02 0.00 0.00 55.36 55.04 2cck s GLN 185 Cb 0.18 -2.00 -0.03 0.00 1.00 0.00 0.00 33.01 32.16 2cck s GLN 185 CO 0.64 -1.81 1.23 -2.14 -2.12 0.00 0.00 175.29 171.08 2cck s PRO 186 N -5.58 2.94 0.54 2.91 0.02 -1.26 -4.71 135.00 129.87 2cck s PRO 186 Ca 0.67 1.88 0.28 0.00 0.02 0.00 0.00 61.00 63.85 2cck s PRO 186 Cb -0.08 -1.95 1.45 0.00 0.02 0.00 0.00 34.50 33.95 2cck s PRO 186 CO 0.49 -1.24 1.95 -0.07 -0.33 0.00 0.00 177.00 177.79 2cck h LEU 187 N 0.90 0.00 -1.19 -5.54 3.38 -1.94 0.50 115.31 111.43 2cck h LEU 187 Ca -0.51 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.40 2cck h LEU 187 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2cck h LEU 187 CO 0.55 0.00 -0.11 -0.08 0.09 0.00 0.00 178.44 178.89 2cck h GLU 188 N 0.00 0.43 0.13 1.13 4.81 -1.99 0.16 114.58 119.25 2cck h GLU 188 Ca 0.30 -0.11 -0.28 0.00 -0.13 0.00 0.00 59.36 59.14 2cck h GLU 188 Cb 1.26 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.60 2cck h GLU 188 CO -0.00 0.54 -1.28 -0.91 -0.73 0.00 0.00 179.01 176.63 2cck h ASN 189 N 0.40 0.44 0.04 1.04 4.21 -1.28 -2.65 115.58 117.78 2cck h ASN 189 Ca 0.08 -0.48 -0.08 0.00 1.21 0.00 0.00 56.30 57.02 2cck h ASN 189 Cb 0.45 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.49 2cck h ASN 189 CO 0.03 1.38 -0.24 0.58 -1.29 0.00 0.00 177.43 177.89 2cck h VAL 190 N 0.08 1.25 -0.16 2.81 2.07 -0.83 -1.44 116.25 120.02 2cck h VAL 190 Ca -0.15 -1.16 -0.17 0.00 0.82 0.00 0.00 66.70 66.04 2cck h VAL 190 Cb 1.99 1.37 0.01 0.00 -1.52 0.00 0.00 31.29 33.13 2cck h VAL 190 CO 0.20 0.36 -0.55 0.58 0.02 0.00 0.00 177.57 178.18 2cck h VAL 191 N 0.31 1.32 -0.30 2.57 2.07 -0.70 -2.57 116.25 118.95 2cck h VAL 191 Ca 0.05 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 2cck h VAL 191 Cb 0.60 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 2cck h VAL 191 CO 0.04 0.56 0.03 -0.08 0.02 0.00 0.00 177.57 178.14 2cck h GLU 192 N 0.33 0.52 -0.59 1.57 4.57 -1.31 -1.25 114.58 118.42 2cck h GLU 192 Ca -0.02 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 57.98 2cck h GLU 192 Cb 1.18 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 2cck h GLU 192 CO 0.12 0.64 0.27 -0.44 -1.18 0.00 0.00 179.01 178.42 2cck h ASP 193 N 0.33 0.78 -0.37 1.04 5.19 -1.34 -0.62 116.42 121.43 2cck h ASP 193 Ca 0.09 -0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 2cck h ASP 193 Cb 0.39 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 2cck h ASP 193 CO 0.01 0.70 0.03 0.74 -3.12 0.00 0.00 179.24 177.60 2cck h THR 194 N 0.80 1.25 0.06 0.35 2.02 -1.40 -0.64 112.91 115.35 2cck h THR 194 Ca 0.20 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 2cck h THR 194 Cb 0.13 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2cck h THR 194 CO -0.02 0.31 -0.03 0.22 0.37 0.00 0.00 175.52 176.36 2cck h TYR 195 N 0.45 -0.07 -0.59 3.16 5.03 -1.06 -0.45 116.97 123.44 2cck h TYR 195 Ca 0.11 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.42 2cck h TYR 195 Cb 0.41 0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.68 2cck h TYR 195 CO 0.03 0.00 0.38 1.96 -1.32 0.00 0.00 178.16 179.22 2cck h GLN 196 N -0.12 0.79 -0.77 1.82 1.08 -1.05 0.21 115.11 117.06 2cck h GLN 196 Ca -0.01 -0.05 0.09 0.00 -1.45 0.00 0.00 58.65 57.23 2cck h GLN 196 Cb 0.10 -0.17 -0.07 0.00 -0.05 0.00 0.00 27.48 27.29 2cck h GLN 196 CO 0.01 0.54 0.42 1.15 -0.95 0.00 0.00 178.83 180.00 2cck h THR 197 N 0.80 0.88 0.07 -0.54 2.02 -0.89 -0.67 112.91 114.59 2cck h THR 197 Ca 0.22 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2cck h THR 197 Cb -0.07 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2cck h THR 197 CO -0.04 0.13 -0.03 0.40 0.37 0.00 0.00 175.52 176.34 2cck h ILE 198 N 0.71 1.22 -0.70 3.11 2.04 0.00 -2.99 117.51 120.90 2cck h ILE 198 Ca 0.38 -1.08 0.12 0.00 1.00 0.00 0.00 64.86 65.28 2cck h ILE 198 Cb 0.37 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 2cck h ILE 198 CO -0.26 0.26 0.46 0.40 0.00 0.00 0.00 178.15 179.02 2cck h ILE 199 N -0.58 0.86 -0.58 -0.67 1.08 -0.42 -0.59 117.51 116.62 2cck h ILE 199 Ca -0.01 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 2cck h ILE 199 Cb 0.50 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 2cck h ILE 199 CO 0.01 0.09 0.30 0.50 -0.69 0.00 0.00 178.15 178.36 2cck h LYS 200 N 0.47 0.82 -0.29 2.37 3.64 -1.09 -1.72 116.57 120.76 2cck h LYS 200 Ca 0.33 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 2cck h LYS 200 Cb 0.65 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2cck h LYS 200 CO -0.11 0.64 -0.32 -0.92 -2.27 0.00 0.00 179.45 176.48 2cck h TYR 201 N 0.78 0.89 0.00 1.91 3.20 -1.01 -2.74 116.97 120.00 2cck h TYR 201 Ca 0.20 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2cck h TYR 201 Cb 0.08 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.17 2cck h TYR 201 CO -0.01 1.03 0.00 1.28 -1.64 0.00 0.00 178.16 178.83 2cck n LEU 202 N -4.23 0.42 -0.00 2.82 4.77 -0.52 -2.85 117.00 117.41 2cck n LEU 202 Ca -0.04 0.60 0.08 0.00 -0.03 0.00 0.00 56.01 56.62 2cck n LEU 202 Cb 0.49 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.95 2cck n LEU 202 CO 0.46 -0.42 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.35 2cck n GLU 203 N -1.96 1.63 -0.67 3.23 -0.58 -0.66 -4.99 120.64 116.65 2cck n GLU 203 Ca 0.03 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2cck n GLU 203 Cb 0.22 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 2cck n GLU 203 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2cck n LYS 204 N -1.46 2.40 0.00 3.49 5.02 -1.04 -5.08 118.16 121.48 2cck n LYS 204 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2cck n LYS 204 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 2cck n LYS 204 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39