#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rck s ASP 11 N -3.33 6.48 0.33 0.00 -1.08 -1.26 -5.00 116.67 112.81 2rck s ASP 11 Ca 0.32 0.54 0.10 0.00 -0.52 0.00 0.00 52.55 52.99 2rck s ASP 11 Cb 0.07 -2.08 0.56 0.00 -1.46 0.00 0.00 42.92 40.01 2rck s ASP 11 CO 0.11 0.20 1.75 1.62 0.52 0.00 0.00 175.17 179.36 2rck h VAL 12 N 2.71 1.31 -0.00 1.11 3.04 -2.02 -2.25 116.25 120.15 2rck h VAL 12 Ca -0.48 -1.50 0.00 0.00 -1.01 0.00 0.00 66.70 63.70 2rck h VAL 12 Cb 1.19 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 32.22 2rck h VAL 12 CO 0.69 0.44 -0.24 -1.20 -1.01 0.00 0.00 177.57 176.24 2rck n SER 13 N -4.02 0.60 -4.48 3.17 7.64 -1.26 -4.55 113.62 110.71 2rck n SER 13 Ca -0.02 -0.47 -0.43 0.00 1.01 0.00 0.00 58.87 58.96 2rck n SER 13 Cb 0.47 0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 2rck n SER 13 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2rck s ASP 14 N -2.67 6.43 0.06 6.43 -1.08 -0.85 -4.83 116.67 120.15 2rck s ASP 14 Ca 0.21 -1.49 0.23 0.00 -0.52 0.00 0.00 52.55 50.99 2rck s ASP 14 Cb 0.19 -2.45 0.15 0.00 -1.46 0.00 0.00 42.92 39.36 2rck s ASP 14 CO 0.55 -1.32 1.13 2.30 0.52 0.00 0.00 175.17 178.35 2rck n ILE 15 N 5.95 0.19 -0.01 4.11 -6.64 -1.26 -2.50 119.36 119.21 2rck n ILE 15 Ca 0.15 -0.22 -0.07 0.00 -1.77 0.00 0.00 62.75 60.84 2rck n ILE 15 Cb 0.48 0.15 0.11 0.00 -1.44 0.00 0.00 39.64 38.94 2rck n ILE 15 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 2rck h GLU 16 N 0.00 0.56 0.12 6.28 4.57 -1.96 -1.32 114.58 122.84 2rck h GLU 16 Ca 0.00 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 57.89 2rck h GLU 16 Cb 0.71 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2rck h GLU 16 CO 0.00 0.87 -0.06 0.00 -1.18 0.00 0.00 179.01 178.64 2rck h ILE 18 N -0.57 1.17 -0.08 0.00 2.04 -1.52 0.11 117.51 118.66 2rck h ILE 18 Ca -0.02 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 2rck h ILE 18 Cb 0.45 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2rck h ILE 18 CO 0.03 0.22 -0.05 -1.28 0.00 0.00 0.00 178.15 177.06 2rck h SER 19 N 0.50 0.18 -0.34 1.72 0.87 -1.27 -0.85 113.55 114.37 2rck h SER 19 Ca 0.12 -0.44 0.07 0.00 -1.23 0.00 0.00 61.79 60.30 2rck h SER 19 Cb 0.21 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.06 2rck h SER 19 CO -0.00 0.58 -0.09 0.11 -0.53 0.00 0.00 176.83 176.90 2rck h LYS 20 N -0.22 -0.01 -0.46 2.24 1.57 -1.06 -2.05 116.57 116.57 2rck h LYS 20 Ca 0.02 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 2rck h LYS 20 Cb 0.52 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.74 2rck h LYS 20 CO 0.01 -0.00 -0.13 0.00 -0.57 0.00 0.00 179.45 178.76 2rck h ALA 21 N 1.33 0.29 0.15 3.86 0.00 -0.67 0.03 119.26 124.24 2rck h ALA 21 Ca 0.16 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2rck h ALA 21 Cb 0.25 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2rck h ALA 21 CO -0.35 -0.46 -0.12 1.15 0.00 0.00 0.00 179.25 179.48 2rck h THR 22 N -0.01 0.75 -0.19 0.00 2.02 -0.88 -0.84 112.91 113.74 2rck h THR 22 Ca 0.22 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.44 2rck h THR 22 Cb 0.36 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 2rck h THR 22 CO -0.49 0.00 -0.07 -0.61 0.37 0.00 0.00 175.52 174.73 2rck h GLN 23 N -0.28 -0.03 -0.88 6.66 5.75 -0.90 -0.48 115.11 124.96 2rck h GLN 23 Ca -0.01 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 2rck h GLN 23 Cb 0.25 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 28.73 2rck h GLN 23 CO -0.01 -0.02 0.52 0.28 -2.65 0.00 0.00 178.83 176.95 2rck h VAL 24 N -0.03 0.91 0.22 2.39 2.07 -0.81 0.10 116.25 121.10 2rck h VAL 24 Ca 0.10 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2rck h VAL 24 Cb 0.18 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2rck h VAL 24 CO -0.21 0.15 -0.10 0.15 0.02 0.00 0.00 177.57 177.58 2rck h PHE 25 N 0.85 -0.27 -0.27 1.57 3.57 0.00 -1.19 116.94 121.19 2rck h PHE 25 Ca 0.43 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.98 2rck h PHE 25 Cb 0.41 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 2rck h PHE 25 CO -0.05 -0.13 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.70 2rck h LEU 26 N -0.35 -0.45 -1.99 0.59 3.38 -0.74 -2.26 115.31 113.49 2rck h LEU 26 Ca -0.03 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.15 2rck h LEU 26 Cb 0.27 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2rck h LEU 26 CO 0.05 -0.17 0.26 0.44 0.09 0.00 0.00 178.44 179.11 2rck h ASP 27 N -0.10 0.01 -0.68 -0.43 3.32 -0.43 -1.57 116.42 116.55 2rck h ASP 27 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2rck h ASP 27 Cb 0.32 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2rck h ASP 27 CO -0.34 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 177.78 2rck n ASN 28 N -4.43 3.71 0.00 6.45 3.02 -0.48 -4.49 115.26 119.04 2rck n ASN 28 Ca 0.06 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 2rck n ASN 28 Cb 0.44 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2rck n ASN 28 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2rck n THR 29 N 1.48 0.01 0.24 3.41 -2.24 -0.60 -4.85 114.28 111.72 2rck n THR 29 Ca 0.23 -0.10 0.11 0.00 -2.27 0.00 0.00 64.05 62.02 2rck n THR 29 Cb 0.59 1.76 0.59 0.00 -2.10 0.00 0.00 70.33 71.17 2rck n THR 29 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 2rck h TYR 30 N 0.00 0.00 -0.00 4.78 -0.00 -1.75 -1.17 116.97 118.83 2rck h TYR 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2rck h TYR 30 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.17 2rck h TYR 30 CO 0.00 0.18 -0.00 0.00 -0.00 0.00 0.00 178.16 178.34 2rck n GLN 31 N -3.52 0.60 0.00 0.10 0.00 -1.26 0.48 117.38 113.77 2rck n GLN 31 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 57.00 56.98 2rck n GLN 31 Cb 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.08 2rck n GLN 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2rck n GLY 32 N 1.21 -2.00 2.62 2.61 0.00 -0.44 -4.54 105.19 104.64 2rck n GLY 32 Ca 0.17 -1.25 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 2rck n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rck s ILE 33 N -1.80 1.21 0.52 -0.61 1.01 0.20 -4.90 121.20 116.83 2rck s ILE 33 Ca 0.00 -2.81 0.17 0.00 0.00 0.00 0.00 60.65 58.01 2rck s ILE 33 Cb 0.00 -1.83 0.28 0.00 0.01 0.00 0.00 42.46 40.92 2rck s ILE 33 CO 0.00 -1.03 2.13 -0.65 0.00 0.00 0.00 174.94 175.39 2rck h PRO 34 N 6.18 0.01 -0.48 2.79 0.11 -1.95 0.85 132.00 139.51 2rck h PRO 34 Ca 0.11 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 2rck h PRO 34 Cb 0.89 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 2rck h PRO 34 CO 0.47 0.00 0.20 0.93 -0.21 0.00 0.00 178.00 179.39 2rck h GLU 35 N 0.01 0.68 -0.64 1.05 3.07 -1.96 -1.87 114.58 114.91 2rck h GLU 35 Ca 0.03 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2rck h GLU 35 Cb 0.11 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2rck h GLU 35 CO -0.00 0.56 0.00 0.66 -1.40 0.00 0.00 179.01 178.83 2rck n TYR 36 N -4.36 1.33 -4.02 4.33 4.02 0.27 -4.92 117.16 113.81 2rck n TYR 36 Ca 0.04 -0.50 -0.33 0.00 -0.01 0.00 0.00 57.90 57.10 2rck n TYR 36 Cb 0.15 -0.28 -0.04 0.00 -0.02 0.00 0.00 39.34 39.15 2rck n TYR 36 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2rck n ASN 37 N 0.72 -2.77 -4.40 7.72 6.94 -0.70 -4.70 115.26 118.06 2rck n ASN 37 Ca 0.21 -0.84 -0.37 0.00 -0.02 0.00 0.00 54.58 53.56 2rck n ASN 37 Cb 0.82 -2.32 -0.13 0.00 -2.36 0.00 0.00 39.78 35.79 2rck n ASN 37 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2rck s ILE 38 N -3.10 4.11 0.30 1.53 1.01 -1.07 -4.80 121.20 119.18 2rck s ILE 38 Ca 0.65 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.94 2rck s ILE 38 Cb -0.36 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 2rck s ILE 38 CO 0.80 0.28 0.52 -0.54 0.00 0.00 0.00 174.94 176.00 2rck s LYS 39 N 1.57 3.54 0.11 2.79 1.02 -1.26 0.59 119.74 128.11 2rck s LYS 39 Ca 0.05 -0.22 -0.32 0.00 0.02 0.00 0.00 55.97 55.51 2rck s LYS 39 Cb -0.15 -2.69 -0.11 0.00 -0.52 0.00 0.00 37.83 34.35 2rck s LYS 39 CO 0.02 0.22 1.83 1.63 -0.92 0.00 0.00 175.35 178.14 2rck n LYS 40 N -1.25 2.72 -0.01 1.68 5.02 -1.26 -3.96 118.16 121.09 2rck n LYS 40 Ca -0.04 0.99 0.11 0.00 -2.02 0.00 0.00 58.31 57.35 2rck n LYS 40 Cb 0.55 -2.87 -0.16 0.00 -0.02 0.00 0.00 35.03 32.52 2rck n LYS 40 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2rck n LEU 41 N 5.59 0.07 -3.41 -0.35 4.32 0.18 -4.62 117.00 118.78 2rck n LEU 41 Ca 0.18 -0.02 -0.05 0.00 -0.02 0.00 0.00 56.01 56.10 2rck n LEU 41 Cb 0.36 -0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.10 2rck n LEU 41 CO 0.66 0.01 0.04 -0.62 -1.22 0.00 0.00 177.39 176.26 2rck s ASP 42 N -4.47 -0.37 0.69 -1.43 -1.08 -0.66 -3.97 116.67 105.38 2rck s ASP 42 Ca -0.07 0.68 -0.13 0.00 -0.52 0.00 0.00 52.55 52.52 2rck s ASP 42 Cb 0.14 1.51 0.01 0.00 -1.46 0.00 0.00 42.92 43.13 2rck s ASP 42 CO 0.90 -0.27 1.08 -2.16 0.52 0.00 0.00 175.17 175.25 2rck s PRO 43 N 2.66 2.77 -0.03 4.34 0.04 -1.26 -4.41 135.00 139.11 2rck s PRO 43 Ca 0.09 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.32 2rck s PRO 43 Cb -0.14 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.45 2rck s PRO 43 CO -0.16 -1.25 -0.07 -1.50 0.04 0.00 0.00 177.00 174.06 2rck s ILE 44 N -2.73 0.65 -0.14 0.56 2.07 -0.53 -4.83 121.20 116.25 2rck s ILE 44 Ca 0.62 -0.25 -0.04 0.00 -1.41 0.00 0.00 60.65 59.57 2rck s ILE 44 Cb -0.17 -0.62 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 2rck s ILE 44 CO 0.49 0.23 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.84 2rck s THR 45 N 0.49 4.11 -0.34 4.00 2.01 -1.26 -0.32 115.64 124.33 2rck s THR 45 Ca -0.07 -0.29 -0.10 0.00 0.31 0.00 0.00 61.69 61.54 2rck s THR 45 Cb -0.11 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.62 2rck s THR 45 CO 0.01 0.52 0.18 -0.63 -0.69 0.00 0.00 174.62 174.00 2rck s ILE 46 N 0.06 4.62 0.22 1.82 1.01 0.27 -4.94 121.20 124.25 2rck s ILE 46 Ca 0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 2rck s ILE 46 Cb -0.13 -3.45 0.17 0.00 0.01 0.00 0.00 42.46 39.06 2rck s ILE 46 CO 0.02 -0.06 1.85 -0.65 0.00 0.00 0.00 174.94 176.10 2rck h PRO 47 N 8.39 0.89 -2.68 2.79 0.11 -1.93 -0.88 132.00 138.69 2rck h PRO 47 Ca -0.29 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 2rck h PRO 47 Cb 1.13 -0.20 -0.24 0.00 0.11 0.00 0.00 31.00 31.80 2rck h PRO 47 CO 0.64 0.59 -0.20 0.45 -0.21 0.00 0.00 178.00 179.26 2rck s SER 48 N -5.77 -0.45 -0.25 -2.05 0.15 -1.26 -1.32 113.70 102.74 2rck s SER 48 Ca -0.13 0.87 -0.02 0.00 0.70 0.00 0.00 55.95 57.37 2rck s SER 48 Cb 0.16 0.88 0.13 0.00 -1.71 0.00 0.00 66.02 65.48 2rck s SER 48 CO 0.78 -0.16 0.32 -0.22 1.20 0.00 0.00 173.24 175.16 2rck s LEU 49 N 0.21 -0.41 0.03 3.45 2.96 -0.92 -5.00 118.68 118.99 2rck s LEU 49 Ca -0.00 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 2rck s LEU 49 Cb -0.03 0.77 -0.03 0.00 0.50 0.00 0.00 46.19 47.39 2rck s LEU 49 CO 0.01 -0.34 -0.14 -1.61 -1.32 0.00 0.00 176.35 172.95 2rck s GLU 50 N 2.44 2.24 -0.00 1.98 2.02 -1.26 -0.54 118.70 125.58 2rck s GLU 50 Ca 0.10 -0.89 -0.24 0.00 0.02 0.00 0.00 54.97 53.96 2rck s GLU 50 Cb -0.15 -2.30 0.05 0.00 0.10 0.00 0.00 34.13 31.84 2rck s GLU 50 CO -0.21 0.56 0.53 -1.59 0.02 0.00 0.00 175.26 174.57 2rck s LYS 51 N -1.46 0.97 -0.14 1.61 -2.85 0.39 -4.99 119.74 113.27 2rck s LYS 51 Ca 0.16 -0.05 -0.00 0.00 -1.00 0.00 0.00 55.97 55.07 2rck s LYS 51 Cb -0.11 0.45 -0.01 0.00 -2.06 0.00 0.00 37.83 36.10 2rck s LYS 51 CO 0.06 -0.32 -0.13 -1.54 0.10 0.00 0.00 175.35 173.53 2rck s SER 52 N -1.56 3.96 0.86 0.03 1.04 -1.26 0.27 113.70 117.05 2rck s SER 52 Ca -0.09 -0.36 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 2rck s SER 52 Cb -0.01 -1.61 0.11 0.00 0.10 0.00 0.00 66.02 64.61 2rck s SER 52 CO 0.04 0.14 1.14 -0.63 0.98 0.00 0.00 173.24 174.90 2rck s ILE 53 N 0.52 2.21 0.00 -1.02 1.01 0.21 -4.92 121.20 119.21 2rck s ILE 53 Ca -0.09 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.63 2rck s ILE 53 Cb -0.16 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.43 2rck s ILE 53 CO 0.04 -0.09 0.00 -0.62 0.00 0.00 0.00 174.94 174.27 2rck n GLU 54 N -3.59 0.00 0.07 2.79 1.02 -1.26 -4.15 120.64 115.52 2rck n GLU 54 Ca 0.07 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.16 2rck n GLU 54 Cb 0.59 -0.03 0.15 0.00 -0.02 0.00 0.00 31.44 32.13 2rck n GLU 54 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2rck h LYS 55 N 0.00 0.31 -6.01 3.49 1.57 -2.01 -3.32 116.57 110.60 2rck h LYS 55 Ca 0.00 -0.18 -0.59 0.00 -1.87 0.00 0.00 60.65 58.02 2rck h LYS 55 Cb 0.00 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.24 2rck h LYS 55 CO 0.00 0.74 0.64 0.96 -0.57 0.00 0.00 179.45 181.21 2rck s ILE 56 N -3.99 4.68 -0.98 1.86 -4.36 -1.26 -4.99 121.20 112.16 2rck s ILE 56 Ca -0.05 1.59 -0.25 0.00 -0.26 0.00 0.00 60.65 61.67 2rck s ILE 56 Cb 0.12 -4.26 -0.19 0.00 1.25 0.00 0.00 42.46 39.38 2rck s ILE 56 CO 0.79 -0.29 1.98 0.59 0.24 0.00 0.00 174.94 178.25 2rck n ASN 57 N 6.42 2.04 -4.42 4.36 5.03 -1.25 -4.15 115.26 123.29 2rck n ASN 57 Ca 0.08 -2.58 -0.36 0.00 0.87 0.00 0.00 54.58 52.59 2rck n ASN 57 Cb 0.47 -1.55 -0.13 0.00 -1.02 0.00 0.00 39.78 37.56 2rck n ASN 57 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2rck s LEU 58 N 11.79 3.31 -0.17 3.41 2.96 -1.26 -4.03 118.68 134.69 2rck s LEU 58 Ca 0.73 -0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 54.25 2rck s LEU 58 Cb 0.01 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2rck s LEU 58 CO 0.18 -0.02 0.36 0.20 -1.32 0.00 0.00 176.35 175.75 2rck s ASN 59 N 1.52 6.46 -0.14 3.68 0.01 -0.23 0.67 114.94 126.91 2rck s ASN 59 Ca 0.06 0.54 0.02 0.00 -0.71 0.00 0.00 52.86 52.77 2rck s ASN 59 Cb -0.15 -2.21 0.01 0.00 0.41 0.00 0.00 41.25 39.31 2rck s ASN 59 CO 0.02 0.01 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.74 2rck s VAL 60 N 0.85 1.90 -0.01 1.60 1.01 0.14 -0.67 120.40 125.21 2rck s VAL 60 Ca 0.19 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.37 2rck s VAL 60 Cb -0.14 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2rck s VAL 60 CO 0.06 0.52 -0.21 -0.60 0.00 0.00 0.00 175.10 174.87 2rck s ARG 61 N 1.04 1.72 -0.05 2.72 3.52 -0.14 -0.46 118.95 127.29 2rck s ARG 61 Ca -0.03 -0.78 0.05 0.00 -0.13 0.00 0.00 55.73 54.85 2rck s ARG 61 Cb -0.14 -1.67 -0.02 0.00 -1.56 0.00 0.00 34.95 31.56 2rck s ARG 61 CO -0.05 0.46 -0.21 0.71 -0.81 0.00 0.00 175.30 175.39 2rck s TYR 62 N -0.52 2.51 -0.07 5.12 2.02 0.30 -0.51 117.35 126.22 2rck s TYR 62 Ca 0.08 -0.51 0.04 0.00 -0.37 0.00 0.00 57.07 56.32 2rck s TYR 62 Cb -0.08 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 2rck s TYR 62 CO -0.01 -0.07 -0.19 -0.80 -1.57 0.00 0.00 175.55 172.91 2rck s ASN 63 N -0.36 2.46 -1.04 2.29 0.01 -0.05 -2.16 114.94 116.09 2rck s ASN 63 Ca 0.03 -0.42 -0.17 0.00 -0.71 0.00 0.00 52.86 51.59 2rck s ASN 63 Cb -0.12 -0.93 0.00 0.00 0.41 0.00 0.00 41.25 40.61 2rck s ASN 63 CO 0.02 0.14 0.73 0.59 -1.51 0.00 0.00 177.10 177.06 2rck n ASN 64 N 3.40 -5.32 -4.64 -1.22 3.02 -0.44 -1.74 115.26 108.32 2rck n ASN 64 Ca -0.20 -0.95 -0.43 0.00 -0.03 0.00 0.00 54.58 52.98 2rck n ASN 64 Cb 0.52 -2.94 -0.02 0.00 -0.61 0.00 0.00 39.78 36.73 2rck n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2rck s LEU 65 N -6.05 4.00 -0.47 3.41 1.43 -0.36 -4.18 118.68 116.48 2rck s LEU 65 Ca 0.33 1.38 -0.22 0.00 -1.03 0.00 0.00 54.13 54.59 2rck s LEU 65 Cb -0.13 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.58 2rck s LEU 65 CO 0.88 -0.93 0.76 -0.75 0.23 0.00 0.00 176.35 176.54 2rck s LYS 66 N 3.85 3.34 -0.32 1.70 2.20 0.27 -0.57 119.74 130.21 2rck s LYS 66 Ca 0.54 -0.25 -0.12 0.00 -0.36 0.00 0.00 55.97 55.78 2rck s LYS 66 Cb -0.18 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.14 2rck s LYS 66 CO 0.19 -1.16 0.23 0.08 -0.36 0.00 0.00 175.35 174.32 2rck s VAL 67 N 3.23 5.29 0.25 4.02 1.01 0.56 -1.06 120.40 133.71 2rck s VAL 67 Ca 0.27 -0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.26 2rck s VAL 67 Cb -0.13 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2rck s VAL 67 CO 0.21 0.07 -0.13 0.42 0.00 0.00 0.00 175.10 175.67 2rck s THR 68 N 1.73 2.86 0.00 3.92 -4.23 -0.30 -1.46 115.64 118.17 2rck s THR 68 Ca 0.06 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 2rck s THR 68 Cb -0.17 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2rck s THR 68 CO 0.11 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 2rck n GLY 69 N -0.53 1.31 0.17 3.99 0.00 -1.26 -1.34 105.19 107.53 2rck n GLY 69 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2rck n GLY 69 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2rck h PHE 70 N 0.00 0.00 0.00 1.61 -1.00 -1.82 -2.99 116.94 112.74 2rck h PHE 70 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2rck h PHE 70 Cb 0.00 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 2rck h PHE 70 CO 0.00 0.00 -0.04 1.57 -1.61 0.00 0.00 178.31 178.23 2rck h LYS 71 N 0.00 0.00 -0.64 1.51 2.10 -1.93 -2.52 116.57 115.09 2rck h LYS 71 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2rck h LYS 71 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2rck h LYS 71 CO 0.00 0.04 0.00 0.09 -2.00 0.00 0.00 179.45 177.58 2rck n ASN 72 N -4.06 4.23 -4.75 7.07 4.13 -1.13 -4.84 115.26 115.90 2rck n ASN 72 Ca -0.03 -2.39 -0.41 0.00 1.68 0.00 0.00 54.58 53.43 2rck n ASN 72 Cb 0.13 -0.54 -0.04 0.00 -1.54 0.00 0.00 39.78 37.79 2rck n ASN 72 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rck s GLN 73 N -1.82 4.53 -0.13 3.52 -2.07 -0.95 -4.88 119.66 117.85 2rck s GLN 73 Ca 0.45 1.89 0.02 0.00 -1.82 0.00 0.00 55.36 55.89 2rck s GLN 73 Cb 0.29 -3.21 0.00 0.00 -1.09 0.00 0.00 33.01 29.00 2rck s GLN 73 CO 0.21 0.01 -0.20 0.15 -1.32 0.00 0.00 175.29 174.14 2rck s LYS 74 N -0.81 3.12 0.04 9.60 -0.14 -0.70 -4.92 119.74 125.92 2rck s LYS 74 Ca 0.49 -0.81 -0.38 0.00 -1.36 0.00 0.00 55.97 53.91 2rck s LYS 74 Cb -0.33 -2.48 -0.18 0.00 -1.68 0.00 0.00 37.83 33.16 2rck s LYS 74 CO 0.40 0.07 1.26 -0.89 -0.76 0.00 0.00 175.35 175.43 2rck n ILE 75 N 3.87 0.01 0.00 2.17 5.41 -1.26 -0.74 119.36 128.81 2rck n ILE 75 Ca -0.19 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2rck n ILE 75 Cb 0.52 -0.54 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 2rck n ILE 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2rck n SER 76 N 2.25 0.40 -3.64 4.38 3.41 0.03 -4.82 113.62 115.65 2rck n SER 76 Ca 0.19 -0.37 -0.11 0.00 -0.26 0.00 0.00 58.87 58.32 2rck n SER 76 Cb 0.15 0.81 -0.07 0.00 -0.26 0.00 0.00 64.21 64.84 2rck n SER 76 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2rck s HIS 77 N -0.89 -0.89 -0.11 7.33 5.65 -1.13 -4.92 115.29 120.32 2rck s HIS 77 Ca 0.00 1.99 -0.10 0.00 0.25 0.00 0.00 55.06 57.20 2rck s HIS 77 Cb 0.00 0.41 0.03 0.00 -1.18 0.00 0.00 32.58 31.84 2rck s HIS 77 CO 0.00 -0.43 0.29 0.12 -0.65 0.00 0.00 174.74 174.07 2rck s PHE 78 N 0.86 -0.33 -0.16 3.88 5.36 -1.26 -1.51 117.98 124.83 2rck s PHE 78 Ca -0.04 0.80 -0.09 0.00 -0.96 0.00 0.00 56.93 56.64 2rck s PHE 78 Cb -0.05 0.11 0.06 0.00 -0.34 0.00 0.00 43.02 42.80 2rck s PHE 78 CO -0.07 -0.17 0.39 0.99 -1.46 0.00 0.00 175.22 174.90 2rck s THR 79 N 0.28 -0.04 -0.08 0.12 2.01 0.22 -5.00 115.64 113.15 2rck s THR 79 Ca -0.01 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.06 2rck s THR 79 Cb -0.03 -0.58 0.04 0.00 0.01 0.00 0.00 72.50 71.94 2rck s THR 79 CO -0.01 0.04 0.07 -0.22 -0.69 0.00 0.00 174.62 173.82 2rck s LEU 80 N 1.40 0.19 -0.65 4.42 1.98 -1.25 -1.82 118.68 122.95 2rck s LEU 80 Ca -0.09 -0.12 -0.20 0.00 -2.89 0.00 0.00 54.13 50.83 2rck s LEU 80 Cb -0.09 -0.15 0.10 0.00 0.66 0.00 0.00 46.19 46.72 2rck s LEU 80 CO -0.12 -0.28 0.82 0.68 -1.89 0.00 0.00 176.35 175.55 2rck s VAL 81 N 2.17 4.70 0.54 1.68 -7.23 -0.69 -4.91 120.40 116.65 2rck s VAL 81 Ca 0.04 -0.93 0.27 0.00 -1.81 0.00 0.00 61.98 59.55 2rck s VAL 81 Cb -0.13 -4.57 0.42 0.00 0.56 0.00 0.00 36.38 32.66 2rck s VAL 81 CO -0.05 -1.25 1.96 0.08 -0.31 0.00 0.00 175.10 175.53 2rck h ARG 82 N 9.21 0.00 0.50 4.82 -0.00 -1.87 1.11 114.38 128.15 2rck h ARG 82 Ca -0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.72 2rck h ARG 82 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.05 2rck h ARG 82 CO 1.11 0.00 -0.24 -0.44 -0.00 0.00 0.00 179.97 180.40 2rck h ASP 83 N 0.00 -0.56 0.03 0.08 3.45 -1.97 -3.29 116.42 114.16 2rck h ASP 83 Ca 0.30 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.77 2rck h ASP 83 Cb 1.21 0.15 0.00 0.00 -0.56 0.00 0.00 39.33 40.12 2rck h ASP 83 CO -0.00 -0.35 -0.22 1.07 -1.57 0.00 0.00 179.24 178.17 2rck n THR 84 N -4.09 0.00 -0.42 0.35 5.66 -1.04 -4.94 114.28 109.79 2rck n THR 84 Ca -0.08 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 2rck n THR 84 Cb 0.26 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 2rck n THR 84 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2rck n LYS 85 N 0.26 0.00 -1.87 1.09 5.02 0.38 -4.87 118.16 118.17 2rck n LYS 85 Ca 0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 2rck n LYS 85 Cb 0.46 -1.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.35 2rck n LYS 85 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rck s ALA 86 N -2.65 3.67 -0.00 7.82 0.00 -1.14 -3.22 121.76 126.25 2rck s ALA 86 Ca 0.00 1.22 -0.00 0.00 0.00 0.00 0.00 51.96 53.18 2rck s ALA 86 Cb 0.00 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2rck s ALA 86 CO 0.00 -1.23 0.07 0.08 0.00 0.00 0.00 175.76 174.68 2rck s VAL 87 N 3.13 4.64 -0.30 0.00 1.01 0.11 -1.71 120.40 127.28 2rck s VAL 87 Ca 0.77 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 2rck s VAL 87 Cb -0.40 -3.12 0.18 0.00 0.00 0.00 0.00 36.38 33.04 2rck s VAL 87 CO 0.34 0.35 0.64 0.21 0.00 0.00 0.00 175.10 176.64 2rck s ASN 88 N -1.72 -1.28 0.04 3.32 3.04 -0.75 -1.72 114.94 115.86 2rck s ASN 88 Ca 0.22 0.93 -0.00 0.00 0.04 0.00 0.00 52.86 54.05 2rck s ASN 88 Cb -0.12 2.13 -0.03 0.00 -1.54 0.00 0.00 41.25 41.69 2rck s ASN 88 CO 0.14 -0.24 -0.03 0.72 -3.04 0.00 0.00 177.10 174.64 2rck s PHE 89 N 2.87 0.42 0.07 0.43 -0.71 -0.69 -0.61 117.98 119.76 2rck s PHE 89 Ca 0.16 -0.79 0.03 0.00 -1.04 0.00 0.00 56.93 55.29 2rck s PHE 89 Cb -0.14 -0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.33 2rck s PHE 89 CO -0.20 -0.27 -0.10 0.15 -1.34 0.00 0.00 175.22 173.46 2rck s LYS 90 N -2.68 0.73 0.07 1.99 1.02 -0.57 -0.76 119.74 119.54 2rck s LYS 90 Ca -0.04 -0.98 0.05 0.00 0.02 0.00 0.00 55.97 55.02 2rck s LYS 90 Cb -0.01 -0.50 -0.03 0.00 -0.52 0.00 0.00 37.83 36.77 2rck s LYS 90 CO -0.05 0.09 -0.15 0.95 -0.92 0.00 0.00 175.35 175.27 2rck s THR 91 N -1.87 1.18 -0.04 2.17 -4.23 0.03 -0.79 115.64 112.09 2rck s THR 91 Ca -0.01 -1.32 -0.14 0.00 -1.18 0.00 0.00 61.69 59.04 2rck s THR 91 Cb -0.07 -1.12 -0.05 0.00 1.34 0.00 0.00 72.50 72.60 2rck s THR 91 CO 0.00 -0.19 0.38 -0.54 -0.54 0.00 0.00 174.62 173.73 2rck s LYS 92 N -1.73 3.96 -0.10 3.99 1.02 0.08 -2.00 119.74 124.97 2rck s LYS 92 Ca -0.01 0.34 -0.07 0.00 0.02 0.00 0.00 55.97 56.25 2rck s LYS 92 Cb -0.10 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 33.98 2rck s LYS 92 CO 0.02 0.59 0.25 0.54 -0.92 0.00 0.00 175.35 175.83 2rck s VAL 93 N -0.71 -0.01 -0.17 3.17 0.11 0.21 -1.73 120.40 121.26 2rck s VAL 93 Ca 0.22 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.26 2rck s VAL 93 Cb -0.16 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 2rck s VAL 93 CO 0.11 0.02 0.05 0.20 -3.33 0.00 0.00 175.10 172.15 2rck s ASN 94 N 0.55 5.51 0.15 3.54 0.01 -1.26 -0.27 114.94 123.17 2rck s ASN 94 Ca -0.03 0.07 0.04 0.00 -0.71 0.00 0.00 52.86 52.22 2rck s ASN 94 Cb -0.05 -1.91 -0.04 0.00 0.41 0.00 0.00 41.25 39.66 2rck s ASN 94 CO -0.03 0.20 -0.08 0.72 -1.51 0.00 0.00 177.10 176.40 2rck s PHE 95 N 0.23 1.23 -0.08 2.20 -0.12 0.87 -4.52 117.98 117.79 2rck s PHE 95 Ca 0.03 -0.82 0.05 0.00 -0.05 0.00 0.00 56.93 56.13 2rck s PHE 95 Cb -0.12 -0.65 -0.00 0.00 -0.63 0.00 0.00 43.02 41.61 2rck s PHE 95 CO 0.01 0.01 -0.22 0.99 -0.05 0.00 0.00 175.22 175.95 2rck s THR 96 N -3.41 1.90 -0.16 -4.49 2.01 -0.45 -1.11 115.64 109.92 2rck s THR 96 Ca 0.18 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.24 2rck s THR 96 Cb 0.04 -1.63 0.02 0.00 0.01 0.00 0.00 72.50 70.93 2rck s THR 96 CO 0.01 0.53 -0.19 0.00 -0.69 0.00 0.00 174.62 174.27 2rck s ALA 97 N 0.17 2.20 -0.11 7.40 0.00 0.16 -1.15 121.76 130.44 2rck s ALA 97 Ca -0.12 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 50.76 2rck s ALA 97 Cb -0.16 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.88 2rck s ALA 97 CO 0.06 -0.25 -0.21 -1.21 0.00 0.00 0.00 175.76 174.15 2rck s GLU 98 N 1.17 2.80 0.00 0.00 2.02 -0.22 -0.12 118.70 124.36 2rck s GLU 98 Ca 0.01 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.21 2rck s GLU 98 Cb -0.14 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.90 2rck s GLU 98 CO -0.09 0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2rck n GLY 99 N 3.77 1.03 3.60 -1.39 0.00 -0.77 0.97 105.19 112.39 2rck n GLY 99 Ca -0.20 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 2rck n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rck s LYS 100 N 1.88 3.81 -0.23 1.61 2.20 -0.71 -1.15 119.74 127.15 2rck s LYS 100 Ca 0.00 -0.40 -0.09 0.00 -0.36 0.00 0.00 55.97 55.13 2rck s LYS 100 Cb 0.00 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 2rck s LYS 100 CO 0.00 0.30 0.11 -1.17 -0.36 0.00 0.00 175.35 174.23 2rck s LEU 101 N 0.25 3.82 -0.20 5.43 2.96 0.15 -0.87 118.68 130.21 2rck s LEU 101 Ca 0.02 -0.00 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 2rck s LEU 101 Cb -0.13 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 2rck s LEU 101 CO 0.01 0.06 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.38 2rck s VAL 102 N 1.06 3.62 -0.20 1.68 1.01 0.34 -1.54 120.40 126.36 2rck s VAL 102 Ca 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 2rck s VAL 102 Cb -0.14 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.63 2rck s VAL 102 CO 0.04 0.44 -0.13 -0.63 0.00 0.00 0.00 175.10 174.82 2rck s ILE 103 N 1.09 2.58 -0.08 2.22 -1.09 0.13 -0.97 121.20 125.09 2rck s ILE 103 Ca 0.02 -0.84 0.04 0.00 -2.23 0.00 0.00 60.65 57.64 2rck s ILE 103 Cb -0.15 -2.17 -0.01 0.00 -1.58 0.00 0.00 42.46 38.55 2rck s ILE 103 CO 0.00 0.44 -0.20 -0.70 -1.23 0.00 0.00 174.94 173.25 2rck s GLU 104 N 1.35 2.76 -0.70 2.79 2.12 0.15 -2.06 118.70 125.11 2rck s GLU 104 Ca 0.04 -0.81 -0.10 0.00 0.36 0.00 0.00 54.97 54.46 2rck s GLU 104 Cb -0.14 -2.32 0.18 0.00 0.26 0.00 0.00 34.13 32.11 2rck s GLU 104 CO -0.09 0.38 0.60 -0.51 -0.54 0.00 0.00 175.26 175.11 2rck s LEU 105 N -0.13 6.16 0.16 2.70 1.02 -0.63 -1.07 118.68 126.88 2rck s LEU 105 Ca -0.03 -2.57 0.20 0.00 0.02 0.00 0.00 54.13 51.75 2rck s LEU 105 Cb -0.14 -2.09 0.83 0.00 0.02 0.00 0.00 46.19 44.82 2rck s LEU 105 CO 0.04 -0.55 1.61 -2.65 0.02 0.00 0.00 176.35 174.81 2rck n PRO 106 N 4.05 0.12 0.21 1.29 -0.02 -1.26 0.29 135.00 139.68 2rck n PRO 106 Ca 0.07 0.37 -0.15 0.00 -2.02 0.00 0.00 63.50 61.76 2rck n PRO 106 Cb 0.43 -1.73 -0.08 0.00 -0.02 0.00 0.00 33.50 32.10 2rck n PRO 106 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2rck h LYS 107 N 0.00 -0.71 0.00 -0.52 6.56 -1.93 -3.22 116.57 116.74 2rck h LYS 107 Ca 0.00 0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 59.60 2rck h LYS 107 Cb 0.30 0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 2rck h LYS 107 CO 0.00 -0.48 -1.00 0.66 -2.06 0.00 0.00 179.45 176.57 2rck h SER 108 N -0.74 0.00 -5.81 0.86 4.64 -1.87 -3.48 113.55 107.15 2rck h SER 108 Ca -0.02 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.96 2rck h SER 108 Cb 0.69 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.91 2rck h SER 108 CO -0.10 0.13 -0.86 -1.54 -0.87 0.00 0.00 176.83 173.58 2rck n SER 109 N -2.76 -4.55 -4.40 4.97 3.41 0.84 -5.01 113.62 106.13 2rck n SER 109 Ca -0.02 -0.80 -0.34 0.00 -0.26 0.00 0.00 58.87 57.45 2rck n SER 109 Cb 0.61 -4.49 -0.13 0.00 -0.26 0.00 0.00 64.21 59.94 2rck n SER 109 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2rck s LYS 110 N -5.26 3.50 -0.13 4.33 2.20 -0.75 -4.90 119.74 118.73 2rck s LYS 110 Ca 0.31 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 2rck s LYS 110 Cb -0.07 -2.94 -0.00 0.00 -1.51 0.00 0.00 37.83 33.31 2rck s LYS 110 CO 0.79 0.03 -0.18 0.99 -0.36 0.00 0.00 175.35 176.62 2rck s THR 111 N 0.91 2.55 0.01 3.43 2.01 -1.26 -1.61 115.64 121.68 2rck s THR 111 Ca -0.01 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.20 2rck s THR 111 Cb -0.15 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 2rck s THR 111 CO 0.01 0.53 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.11 2rck s TYR 112 N 0.54 2.91 0.17 4.92 2.02 -0.87 -4.99 117.35 122.06 2rck s TYR 112 Ca -0.11 -0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.60 2rck s TYR 112 Cb -0.16 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 2rck s TYR 112 CO 0.04 0.40 -0.08 0.95 -1.57 0.00 0.00 175.55 175.29 2rck s THR 113 N -1.04 1.17 0.00 -0.71 -4.23 -1.26 -0.69 115.64 108.87 2rck s THR 113 Ca 0.18 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 2rck s THR 113 Cb -0.11 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2rck s THR 113 CO 0.09 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 2rck n GLY 114 N -0.27 0.58 3.75 3.99 0.00 -0.59 -4.99 105.19 107.67 2rck n GLY 114 Ca -0.09 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 2rck n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rck s GLU 115 N -2.00 4.45 0.01 1.61 0.41 -1.26 0.30 118.70 122.22 2rck s GLU 115 Ca 0.00 2.03 0.01 0.00 -0.41 0.00 0.00 54.97 56.60 2rck s GLU 115 Cb 0.00 -3.16 -0.01 0.00 -1.78 0.00 0.00 34.13 29.18 2rck s GLU 115 CO 0.00 -0.10 -0.04 0.54 -0.49 0.00 0.00 175.26 175.17 2rck s VAL 116 N -0.61 0.24 -0.07 2.63 0.11 -0.30 -3.37 120.40 119.03 2rck s VAL 116 Ca 0.51 -0.46 0.05 0.00 -2.93 0.00 0.00 61.98 59.15 2rck s VAL 116 Cb -0.36 -0.27 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 2rck s VAL 116 CO 0.43 -0.14 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.95 2rck s THR 117 N -0.60 2.27 -0.08 5.04 2.01 0.16 -1.85 115.64 122.60 2rck s THR 117 Ca -0.05 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.01 2rck s THR 117 Cb -0.05 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 2rck s THR 117 CO -0.00 0.56 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.68 2rck s ILE 118 N -0.06 2.61 -0.08 1.82 1.01 0.83 -0.85 121.20 126.50 2rck s ILE 118 Ca -0.06 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.78 2rck s ILE 118 Cb -0.15 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 2rck s ILE 118 CO 0.05 0.56 -0.24 -1.61 0.00 0.00 0.00 174.94 173.70 2rck s GLU 119 N -0.18 2.76 -0.00 2.79 2.02 -0.87 0.35 118.70 125.57 2rck s GLU 119 Ca -0.02 -0.89 -0.10 0.00 0.02 0.00 0.00 54.97 53.99 2rck s GLU 119 Cb -0.13 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 31.89 2rck s GLU 119 CO 0.03 0.28 0.21 0.00 0.02 0.00 0.00 175.26 175.80 2rck s ALA 120 N 0.08 -0.51 -0.12 5.21 0.00 -0.27 -0.87 121.76 125.28 2rck s ALA 120 Ca -0.11 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 2rck s ALA 120 Cb -0.16 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2rck s ALA 120 CO 0.06 -0.23 -0.09 0.45 0.00 0.00 0.00 175.76 175.95 2rck s SER 121 N -1.36 4.40 0.32 0.00 0.15 -1.26 -0.09 113.70 115.85 2rck s SER 121 Ca -0.14 -0.19 -0.08 0.00 0.70 0.00 0.00 55.95 56.24 2rck s SER 121 Cb -0.07 -1.51 0.01 0.00 -1.71 0.00 0.00 66.02 62.74 2rck s SER 121 CO 0.03 0.22 0.52 0.00 1.20 0.00 0.00 173.24 175.21 2rck s ALA 122 N 0.02 0.21 -0.10 5.45 0.00 0.63 -1.18 121.76 126.78 2rck s ALA 122 Ca -0.02 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 50.78 2rck s ALA 122 Cb -0.14 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.04 2rck s ALA 122 CO 0.03 -0.84 -0.22 -2.00 0.00 0.00 0.00 175.76 172.73 2rck s GLU 123 N -3.28 2.86 0.31 0.00 2.12 -0.54 -0.62 118.70 119.55 2rck s GLU 123 Ca 0.26 -0.81 0.09 0.00 0.36 0.00 0.00 54.97 54.87 2rck s GLU 123 Cb -0.01 -2.19 -0.05 0.00 0.26 0.00 0.00 34.13 32.14 2rck s GLU 123 CO 0.15 0.14 0.01 0.20 -0.54 0.00 0.00 175.26 175.22 2rck s GLY 124 N 0.43 1.90 0.17 -1.50 0.00 -0.85 -0.51 107.32 106.97 2rck s GLY 124 Ca -0.17 -1.83 -0.19 0.00 0.00 0.00 0.00 44.72 42.53 2rck s GLY 124 CO 0.07 -1.82 0.52 -0.32 0.00 0.00 0.00 173.10 171.55 2rck s GLY 125 N -3.71 -0.29 -0.01 0.20 0.00 -0.79 -0.79 107.32 101.93 2rck s GLY 125 Ca 0.34 0.02 0.02 0.00 0.00 0.00 0.00 44.72 45.10 2rck s GLY 125 CO 0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 173.10 173.09 2rck s ALA 126 N -3.82 0.51 -0.05 3.20 0.00 0.06 -1.86 121.76 119.79 2rck s ALA 126 Ca 0.05 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.80 2rck s ALA 126 Cb -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.98 2rck s ALA 126 CO -0.08 0.11 -0.11 0.00 0.00 0.00 0.00 175.76 175.69 2rck s ALA 127 N -0.06 1.12 0.18 0.00 0.00 -0.35 -1.70 121.76 120.95 2rck s ALA 127 Ca 0.01 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 2rck s ALA 127 Cb -0.03 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.65 2rck s ALA 127 CO -0.00 0.12 0.86 1.52 0.00 0.00 0.00 175.76 178.25 2rck s TYR 128 N 0.56 -0.19 0.10 0.00 -0.85 -0.70 -1.02 117.35 115.25 2rck s TYR 128 Ca -0.11 -0.14 0.09 0.00 -0.52 0.00 0.00 57.07 56.38 2rck s TYR 128 Cb -0.14 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.81 2rck s TYR 128 CO 0.02 -0.93 -0.18 -1.54 -1.52 0.00 0.00 175.55 171.40 2rck s SER 129 N -2.89 3.84 0.41 -0.18 1.04 -1.26 0.04 113.70 114.70 2rck s SER 129 Ca 0.11 -0.53 -0.15 0.00 0.48 0.00 0.00 55.95 55.85 2rck s SER 129 Cb -0.03 -0.55 -0.08 0.00 0.10 0.00 0.00 66.02 65.46 2rck s SER 129 CO 0.02 0.20 0.84 -0.31 0.98 0.00 0.00 173.24 174.96 2rck s TYR 130 N -1.09 3.41 0.18 5.02 2.02 -1.20 -1.46 117.35 124.25 2rck s TYR 130 Ca 0.17 1.28 0.00 0.00 -0.37 0.00 0.00 57.07 58.15 2rck s TYR 130 Cb -0.11 -2.61 -0.04 0.00 -0.40 0.00 0.00 41.96 38.80 2rck s TYR 130 CO 0.09 -0.11 0.06 -1.54 -1.57 0.00 0.00 175.55 172.47 2rck s SER 131 N -2.74 0.75 -0.18 2.29 1.04 -0.93 -4.90 113.70 109.04 2rck s SER 131 Ca 0.56 -1.27 -0.10 0.00 0.48 0.00 0.00 55.95 55.62 2rck s SER 131 Cb -0.10 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.20 2rck s SER 131 CO 0.25 -0.70 0.15 0.68 0.98 0.00 0.00 173.24 174.59 2rck s VAL 132 N -3.88 5.41 -0.04 5.02 -7.23 -1.26 -0.34 120.40 118.07 2rck s VAL 132 Ca 0.29 0.23 -0.01 0.00 -1.81 0.00 0.00 61.98 60.68 2rck s VAL 132 Cb 0.07 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.50 2rck s VAL 132 CO 0.07 0.46 0.05 -0.75 -0.31 0.00 0.00 175.10 174.61 2rck s LYS 133 N 0.18 3.03 -0.59 4.82 2.47 -0.11 -4.95 119.74 124.59 2rck s LYS 133 Ca 0.10 -0.44 -0.09 0.00 -1.56 0.00 0.00 55.97 53.97 2rck s LYS 133 Cb -0.11 -2.84 0.15 0.00 -1.46 0.00 0.00 37.83 33.57 2rck s LYS 133 CO -0.01 0.68 0.47 -0.08 0.16 0.00 0.00 175.35 176.57 2rck s THR 134 N -1.05 4.47 -0.62 3.43 -1.32 -1.26 -2.52 115.64 116.76 2rck s THR 134 Ca 0.18 -2.17 0.06 0.00 -1.21 0.00 0.00 61.69 58.55 2rck s THR 134 Cb -0.12 -3.88 0.22 0.00 -1.51 0.00 0.00 72.50 67.21 2rck s THR 134 CO 0.08 -0.86 0.61 1.21 -2.21 0.00 0.00 174.62 173.45 2rck n GLU 140 N 4.42 1.93 -4.43 7.08 4.07 -1.26 -5.21 120.64 127.24 2rck n GLU 140 Ca -0.00 -4.35 -0.24 0.00 -0.06 0.00 0.00 57.16 52.51 2rck n GLU 140 Cb 0.41 -2.11 -0.09 0.00 -0.06 0.00 0.00 31.44 29.59 2rck n GLU 140 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2rck s HIS 141 N -1.82 2.39 0.24 4.31 3.76 -1.05 -4.08 115.29 119.05 2rck s HIS 141 Ca 0.34 -0.30 -0.30 0.00 -0.15 0.00 0.00 55.06 54.65 2rck s HIS 141 Cb 0.08 -1.04 -0.09 0.00 1.11 0.00 0.00 32.58 32.64 2rck s HIS 141 CO -0.09 0.69 0.96 0.71 -0.85 0.00 0.00 174.74 176.16 2rck s TYR 142 N -2.44 3.94 -0.38 1.40 2.02 -1.23 -0.94 117.35 119.73 2rck s TYR 142 Ca 0.30 1.89 0.02 0.00 -0.37 0.00 0.00 57.07 58.91 2rck s TYR 142 Cb -0.05 -3.02 0.11 0.00 -0.40 0.00 0.00 41.96 38.60 2rck s TYR 142 CO 0.16 0.34 0.14 -2.00 -1.57 0.00 0.00 175.55 172.62 2rck s GLU 143 N -1.16 1.30 -0.04 -0.62 2.56 0.54 -3.95 118.70 117.33 2rck s GLU 143 Ca 0.42 -1.79 -0.30 0.00 0.00 0.00 0.00 54.97 53.30 2rck s GLU 143 Cb -0.27 -2.69 -0.07 0.00 2.00 0.00 0.00 34.13 33.10 2rck s GLU 143 CO 0.33 -1.03 1.90 0.00 -0.56 0.00 0.00 175.26 175.90 2rck s ALA 144 N 0.80 3.46 0.96 6.30 0.00 -1.26 -2.19 121.76 129.83 2rck s ALA 144 Ca 0.13 1.10 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 2rck s ALA 144 Cb -0.21 -3.85 0.13 0.00 0.00 0.00 0.00 23.12 19.19 2rck s ALA 144 CO -0.10 -1.71 0.79 0.41 0.00 0.00 0.00 175.76 175.15 2rck n GLY 145 N 4.61 -1.14 3.76 0.00 0.00 -0.53 -4.92 105.19 106.97 2rck n GLY 145 Ca 0.20 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 2rck n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rck s PRO 146 N -4.69 4.15 0.25 1.61 0.04 -1.26 -4.71 135.00 130.39 2rck s PRO 146 Ca 0.45 2.51 0.06 0.00 0.04 0.00 0.00 61.00 64.07 2rck s PRO 146 Cb -0.01 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 2rck s PRO 146 CO 0.32 -0.54 0.26 -1.83 0.04 0.00 0.00 177.00 175.24 2rck s GLU 147 N -1.05 3.12 -0.10 4.56 1.03 -1.26 -4.73 118.70 120.27 2rck s GLU 147 Ca 0.59 -0.95 -0.02 0.00 0.03 0.00 0.00 54.97 54.62 2rck s GLU 147 Cb -0.46 -2.69 -0.03 0.00 -0.80 0.00 0.00 34.13 30.15 2rck s GLU 147 CO 0.52 0.41 -0.01 0.95 -1.33 0.00 0.00 175.26 175.80 2rck s THR 148 N -2.08 4.21 -0.12 1.83 -4.23 -0.18 -4.93 115.64 110.14 2rck s THR 148 Ca 0.33 -0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.54 2rck s THR 148 Cb -0.08 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 2rck s THR 148 CO 0.26 0.57 -0.03 -0.69 -0.54 0.00 0.00 174.62 174.20 2rck s VAL 149 N -0.57 4.03 0.24 2.29 1.01 -1.26 -1.21 120.40 124.94 2rck s VAL 149 Ca 0.09 -0.33 0.11 0.00 0.00 0.00 0.00 61.98 61.85 2rck s VAL 149 Cb -0.12 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2rck s VAL 149 CO 0.02 0.54 -0.14 -0.94 0.00 0.00 0.00 175.10 174.58 2rck s SER 150 N -0.21 3.89 -0.13 3.32 1.04 -0.78 -4.98 113.70 115.85 2rck s SER 150 Ca 0.04 -0.83 -0.09 0.00 0.48 0.00 0.00 55.95 55.55 2rck s SER 150 Cb -0.13 -0.49 0.04 0.00 0.10 0.00 0.00 66.02 65.55 2rck s SER 150 CO 0.02 0.06 0.32 0.00 0.98 0.00 0.00 173.24 174.62 2rck s GLU 152 N 0.73 0.94 -0.19 0.00 2.12 0.34 -5.01 118.70 117.63 2rck s GLU 152 Ca -0.05 -0.24 -0.09 0.00 0.36 0.00 0.00 54.97 54.95 2rck s GLU 152 Cb -0.06 -0.88 -0.05 0.00 0.26 0.00 0.00 34.13 33.40 2rck s GLU 152 CO -0.05 0.04 0.13 0.42 -0.54 0.00 0.00 175.26 175.26 2rck s ILE 153 N 0.44 5.37 -0.24 -3.70 -1.09 -1.26 -1.47 121.20 119.25 2rck s ILE 153 Ca -0.07 0.17 -0.13 0.00 -2.23 0.00 0.00 60.65 58.40 2rck s ILE 153 Cb -0.11 -3.43 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 2rck s ILE 153 CO 0.01 0.47 0.26 -0.36 -1.23 0.00 0.00 174.94 174.09 2rck s PHE 154 N 0.16 3.30 0.00 3.97 2.99 -0.33 -4.97 117.98 123.09 2rck s PHE 154 Ca 0.09 0.33 0.00 0.00 0.00 0.00 0.00 56.93 57.35 2rck s PHE 154 Cb -0.11 -2.41 0.00 0.00 0.00 0.00 0.00 43.02 40.50 2rck s PHE 154 CO -0.01 -0.05 0.00 0.41 -0.00 0.00 0.00 175.22 175.57 2rck n GLY 155 N 4.43 1.04 3.18 4.36 0.00 -1.26 -4.46 105.19 112.48 2rck n GLY 155 Ca -0.12 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 2rck n GLY 155 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rck s GLU 156 N 0.00 2.50 0.51 1.61 2.56 -1.26 -5.05 118.70 119.57 2rck s GLU 156 Ca 0.00 -1.22 -0.21 0.00 0.00 0.00 0.00 54.97 53.54 2rck s GLU 156 Cb 0.00 -3.17 -0.08 0.00 2.00 0.00 0.00 34.13 32.88 2rck s GLU 156 CO 0.00 -0.59 0.97 -0.35 -0.56 0.00 0.00 175.26 174.73 2rck n PRO 157 N 4.64 1.13 -3.74 4.30 -0.04 -1.26 -4.96 135.00 135.07 2rck n PRO 157 Ca -0.14 0.42 -0.32 0.00 -0.04 0.00 0.00 63.50 63.42 2rck n PRO 157 Cb 0.44 -2.09 -0.05 0.00 -0.04 0.00 0.00 33.50 31.76 2rck n PRO 157 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2rck s THR 158 N -1.41 5.23 -0.07 0.52 -4.23 -0.05 -4.95 115.64 110.68 2rck s THR 158 Ca 0.69 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 2rck s THR 158 Cb -0.48 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 69.76 2rck s THR 158 CO 0.53 0.12 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.46 2rck s LEU 159 N -2.47 1.09 -0.02 4.79 1.98 -1.26 -2.06 118.68 120.74 2rck s LEU 159 Ca 0.37 -0.17 0.01 0.00 -2.89 0.00 0.00 54.13 51.45 2rck s LEU 159 Cb -0.13 -0.57 0.01 0.00 0.66 0.00 0.00 46.19 46.17 2rck s LEU 159 CO 0.24 -0.10 -0.01 -0.94 -1.89 0.00 0.00 176.35 173.65 2rck s SER 160 N 1.40 0.33 0.30 3.68 1.04 -0.03 -5.00 113.70 115.42 2rck s SER 160 Ca -0.03 -0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.42 2rck s SER 160 Cb -0.13 -0.13 -0.06 0.00 0.10 0.00 0.00 66.02 65.80 2rck s SER 160 CO -0.03 -0.05 -0.00 -0.69 0.98 0.00 0.00 173.24 173.45 2rck s VAL 161 N 0.55 1.42 0.91 5.02 1.01 -1.26 -0.67 120.40 127.38 2rck s VAL 161 Ca -0.05 -2.06 -0.11 0.00 0.00 0.00 0.00 61.98 59.76 2rck s VAL 161 Cb -0.08 -2.61 0.14 0.00 0.00 0.00 0.00 36.38 33.83 2rck s VAL 161 CO -0.01 -0.17 1.09 -0.94 0.00 0.00 0.00 175.10 175.08 2rck s SER 162 N -3.46 3.28 0.13 3.32 1.04 -1.22 -4.82 113.70 111.98 2rck s SER 162 Ca 0.32 1.63 -0.19 0.00 0.48 0.00 0.00 55.95 58.20 2rck s SER 162 Cb 0.06 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 63.85 2rck s SER 162 CO 0.13 -2.78 1.77 0.28 0.98 0.00 0.00 173.24 173.62 2rck h SER 163 N -1.65 0.20 -0.44 7.02 0.02 -2.00 -1.83 113.55 114.88 2rck h SER 163 Ca -0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 2rck h SER 163 Cb 1.28 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 2rck h SER 163 CO 0.52 0.15 0.22 0.71 -1.14 0.00 0.00 176.83 177.28 2rck h THR 164 N 0.26 1.18 0.18 -2.27 1.35 -2.00 -2.22 112.91 109.38 2rck h THR 164 Ca 0.09 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2rck h THR 164 Cb 0.00 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 2rck h THR 164 CO -0.05 0.19 -0.16 0.25 -0.25 0.00 0.00 175.52 175.51 2rck h LEU 165 N 0.56 -0.41 -0.69 3.87 5.85 -1.89 -0.84 115.31 121.75 2rck h LEU 165 Ca 0.15 0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.06 2rck h LEU 165 Cb 0.11 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.15 2rck h LEU 165 CO -0.02 -0.24 -0.06 -0.08 -0.34 0.00 0.00 178.44 177.70 2rck h GLU 166 N -0.35 0.07 -0.14 1.25 4.81 -1.18 -1.88 114.58 117.15 2rck h GLU 166 Ca -0.00 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 2rck h GLU 166 Cb 0.33 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2rck h GLU 166 CO -0.03 0.04 -0.52 -0.44 -0.73 0.00 0.00 179.01 177.33 2rck h ASP 167 N 0.07 0.43 -0.28 1.04 3.45 -0.68 -1.76 116.42 118.68 2rck h ASP 167 Ca 0.36 -0.22 -0.12 0.00 0.43 0.00 0.00 57.03 57.48 2rck h ASP 167 Cb 0.60 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.24 2rck h ASP 167 CO -0.64 0.87 -0.30 0.00 -1.57 0.00 0.00 179.24 177.59 2rck h ALA 168 N 1.14 0.41 -0.74 3.45 0.00 -0.45 -1.46 119.26 121.62 2rck h ALA 168 Ca 0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2rck h ALA 168 Cb 1.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2rck h ALA 168 CO 0.09 0.44 0.32 -0.07 0.00 0.00 0.00 179.25 180.03 2rck h LEU 169 N 0.44 1.00 -0.83 0.00 3.38 -1.32 0.77 115.31 118.74 2rck h LEU 169 Ca 0.04 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 57.95 2rck h LEU 169 Cb 0.88 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 2rck h LEU 169 CO 0.07 0.88 0.48 0.11 0.09 0.00 0.00 178.44 180.07 2rck h LYS 170 N 1.06 0.77 0.00 1.13 1.57 -1.16 -2.29 116.57 117.64 2rck h LYS 170 Ca 0.25 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 2rck h LYS 170 Cb 0.17 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2rck h LYS 170 CO -0.03 0.51 -0.58 -0.07 -0.57 0.00 0.00 179.45 178.71 2rck h LEU 171 N 0.79 0.00 -8.85 2.94 -0.00 -0.66 -3.42 115.31 106.11 2rck h LEU 171 Ca 0.41 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.72 2rck h LEU 171 Cb 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.02 2rck h LEU 171 CO -0.26 0.58 1.32 -0.62 -0.00 0.00 0.00 178.44 179.46 2rck s ASP 172 N -6.58 5.76 0.38 -0.43 3.68 0.21 -4.86 116.67 114.83 2rck s ASP 172 Ca 0.01 1.30 0.18 0.00 2.13 0.00 0.00 52.55 56.18 2rck s ASP 172 Cb 0.10 -2.52 0.70 0.00 -1.45 0.00 0.00 42.92 39.75 2rck s ASP 172 CO 0.74 -1.82 1.75 -1.28 0.13 0.00 0.00 175.17 174.69 2rck h SER 173 N 13.46 0.00 0.31 -0.34 0.87 -1.82 0.12 113.55 126.15 2rck h SER 173 Ca -0.34 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2rck h SER 173 Cb 1.18 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 2rck h SER 173 CO 1.04 0.37 -0.30 -0.78 -0.53 0.00 0.00 176.83 176.63 2rck h ASP 174 N 0.00 -0.81 0.42 6.23 1.82 -1.92 -3.16 116.42 118.99 2rck h ASP 174 Ca -0.00 0.07 -0.18 0.00 -0.39 0.00 0.00 57.03 56.53 2rck h ASP 174 Cb 0.87 0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 2rck h ASP 174 CO 0.05 -0.43 -0.74 0.15 -1.61 0.00 0.00 179.24 176.65 2rck h PHE 175 N -0.64 0.37 -0.44 0.28 3.57 -1.64 -2.67 116.94 115.77 2rck h PHE 175 Ca -0.01 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.34 2rck h PHE 175 Cb 0.58 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2rck h PHE 175 CO -0.18 0.91 0.26 0.87 -2.23 0.00 0.00 178.31 177.94 2rck h LYS 176 N 0.18 0.52 0.00 1.11 1.57 -1.10 0.56 116.57 119.40 2rck h LYS 176 Ca -0.03 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2rck h LYS 176 Cb 1.31 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2rck h LYS 176 CO 0.12 0.34 -0.38 0.87 -0.57 0.00 0.00 179.45 179.83 2rck h LYS 177 N 0.53 0.00 -0.05 3.15 1.57 -1.49 0.15 116.57 120.43 2rck h LYS 177 Ca 0.17 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.79 2rck h LYS 177 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2rck h LYS 177 CO -0.08 0.38 -0.71 0.82 -0.57 0.00 0.00 179.45 179.30 2rck h ILE 178 N 0.00 1.42 -0.22 1.86 5.03 -1.20 -1.56 117.51 122.84 2rck h ILE 178 Ca -0.00 -2.20 -0.08 0.00 -0.12 0.00 0.00 64.86 62.46 2rck h ILE 178 Cb 0.74 2.16 -0.00 0.00 -3.03 0.00 0.00 36.82 36.69 2rck h ILE 178 CO 0.05 0.65 -0.16 0.15 -0.68 0.00 0.00 178.15 178.16 2rck h PHE 179 N 0.17 0.59 -0.12 1.37 3.57 0.58 -1.95 116.94 121.16 2rck h PHE 179 Ca -0.02 -0.16 -0.20 0.00 3.53 0.00 0.00 57.97 61.11 2rck h PHE 179 Cb 1.26 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2rck h PHE 179 CO 0.03 0.81 -0.75 1.79 -2.23 0.00 0.00 178.31 177.96 2rck h THR 180 N 0.20 1.33 -0.03 4.41 1.35 -0.83 -2.97 112.91 116.37 2rck h THR 180 Ca 0.04 -2.05 -0.01 0.00 -0.55 0.00 0.00 66.41 63.84 2rck h THR 180 Cb 0.69 2.04 -0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2rck h THR 180 CO 0.04 0.63 -0.02 -0.08 -0.25 0.00 0.00 175.52 175.84 2rck h GLU 181 N 0.40 0.06 -0.51 4.72 4.81 -1.36 -3.40 114.58 119.31 2rck h GLU 181 Ca -0.04 -0.03 -0.38 0.00 -0.13 0.00 0.00 59.36 58.78 2rck h GLU 181 Cb 1.35 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.42 2rck h GLU 181 CO 0.14 0.53 -0.76 0.66 -0.73 0.00 0.00 179.01 178.85 2rck n TYR 182 N -4.81 1.86 -0.25 0.92 4.01 -0.73 -4.77 117.16 113.39 2rck n TYR 182 Ca -0.08 -1.98 -0.01 0.00 -0.16 0.00 0.00 57.90 55.66 2rck n TYR 182 Cb 0.27 -0.31 0.10 0.00 -0.31 0.00 0.00 39.34 39.09 2rck n TYR 182 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2rck h GLY 183 N 1.86 1.04 1.45 2.72 0.00 -1.70 -2.27 103.07 106.17 2rck h GLY 183 Ca 0.23 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2rck h GLY 183 CO 0.51 0.20 0.06 0.50 0.00 0.00 0.00 176.54 177.81 2rck h LYS 184 N 0.77 0.69 -0.08 4.80 1.57 -1.90 0.10 116.57 122.53 2rck h LYS 184 Ca 0.31 -0.14 -0.17 0.00 -1.87 0.00 0.00 60.65 58.78 2rck h LYS 184 Cb 0.15 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2rck h LYS 184 CO -0.16 0.66 -0.67 1.96 -0.57 0.00 0.00 179.45 180.66 2rck h GLN 185 N 0.66 0.35 -0.17 3.15 7.50 -1.88 -2.14 115.11 122.59 2rck h GLN 185 Ca 0.14 -0.26 -0.01 0.00 0.50 0.00 0.00 58.65 59.02 2rck h GLN 185 Cb 0.32 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 2rck h GLN 185 CO 0.00 0.89 0.05 -0.07 -1.50 0.00 0.00 178.83 178.21 2rck h LEU 186 N 0.24 0.24 -1.34 1.46 4.07 -0.77 0.22 115.31 119.44 2rck h LEU 186 Ca -0.02 -0.21 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 2rck h LEU 186 Cb 1.22 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.88 2rck h LEU 186 CO 0.11 0.39 0.14 0.00 -1.08 0.00 0.00 178.44 178.00 2rck h THR 187 N 0.09 1.17 -0.12 0.22 1.03 -0.80 -1.24 112.91 113.25 2rck h THR 187 Ca 0.05 -0.55 -0.05 0.00 -0.01 0.00 0.00 66.41 65.85 2rck h THR 187 Cb 0.23 0.71 -0.00 0.00 -1.07 0.00 0.00 68.15 68.02 2rck h THR 187 CO -0.00 0.21 -0.13 -0.33 -0.01 0.00 0.00 175.52 175.26 2rck h GLU 188 N 0.58 0.31 -1.00 0.00 5.08 -1.31 -3.02 114.58 115.22 2rck h GLU 188 Ca 0.14 -0.16 0.15 0.00 -1.00 0.00 0.00 59.36 58.49 2rck h GLU 188 Cb 0.16 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.32 2rck h GLU 188 CO -0.01 0.71 0.62 0.78 -1.00 0.00 0.00 179.01 180.11 2rck h GLY 189 N -0.09 1.65 1.52 -3.84 0.00 -0.11 -1.22 103.07 100.98 2rck h GLY 189 Ca 0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 2rck h GLY 189 CO 0.03 0.07 -0.12 -0.09 0.00 0.00 0.00 176.54 176.44 2rck h ARG 190 N 0.88 0.58 -0.24 4.80 2.43 -1.18 -1.19 114.38 120.45 2rck h ARG 190 Ca 0.52 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 59.38 2rck h ARG 190 Cb 0.67 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2rck h ARG 190 CO -0.30 0.69 -0.43 0.87 -1.51 0.00 0.00 179.97 179.28 2rck h LYS 191 N 0.53 0.61 -0.49 0.20 1.57 -1.12 -2.32 116.57 115.54 2rck h LYS 191 Ca 0.10 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 2rck h LYS 191 Cb 0.52 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2rck h LYS 191 CO 0.03 0.92 -0.03 0.37 -0.57 0.00 0.00 179.45 180.17 2rck h GLN 192 N 0.49 0.84 -0.27 3.15 -0.00 -0.96 -1.75 115.11 116.62 2rck h GLN 192 Ca 0.04 -0.25 -0.03 0.00 -0.00 0.00 0.00 58.65 58.41 2rck h GLN 192 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.34 2rck h GLN 192 CO 0.09 0.86 0.05 1.15 0.00 0.00 0.00 178.83 180.98 2rck h THR 193 N 0.78 1.23 -0.75 2.39 2.02 -1.13 -0.06 112.91 117.38 2rck h THR 193 Ca 0.14 -0.76 0.11 0.00 0.77 0.00 0.00 66.41 66.68 2rck h THR 193 Cb 0.51 1.21 -0.08 0.00 -1.74 0.00 0.00 68.15 68.05 2rck h THR 193 CO 0.03 0.24 0.36 0.00 0.37 0.00 0.00 175.52 176.53 2rck h ALA 194 N 0.87 1.06 -0.23 6.16 0.00 -1.27 -1.28 119.26 124.56 2rck h ALA 194 Ca 0.08 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2rck h ALA 194 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2rck h ALA 194 CO 0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 179.25 178.85 2rck h ARG 196 N 0.41 -0.14 -0.45 0.00 -0.00 -0.26 -0.23 114.38 113.70 2rck h ARG 196 Ca 0.05 0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.58 2rck h ARG 196 Cb 0.77 0.03 -0.04 0.00 0.00 0.00 0.00 29.97 30.73 2rck h ARG 196 CO 0.06 -0.10 0.23 0.82 0.00 0.00 0.00 179.97 180.98 2rck h ILE 197 N -0.15 0.96 -0.00 2.04 2.04 -0.77 -2.08 117.51 119.56 2rck h ILE 197 Ca 0.10 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2rck h ILE 197 Cb 0.30 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2rck h ILE 197 CO -0.24 0.08 0.00 0.58 0.00 0.00 0.00 178.15 178.57 2rck h VAL 198 N 0.45 1.20 -0.78 1.67 2.07 -1.10 -0.81 116.25 118.95 2rck h VAL 198 Ca 0.20 -0.59 0.14 0.00 0.82 0.00 0.00 66.70 67.27 2rck h VAL 198 Cb 0.10 1.60 -0.09 0.00 -1.52 0.00 0.00 31.29 31.38 2rck h VAL 198 CO -0.14 0.15 0.34 -0.33 0.02 0.00 0.00 177.57 177.61 2rck h GLU 199 N -0.25 0.47 -0.15 1.57 5.08 -0.93 0.58 114.58 120.96 2rck h GLU 199 Ca 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2rck h GLU 199 Cb 0.25 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2rck h GLU 199 CO 0.00 0.31 0.01 1.15 -1.00 0.00 0.00 179.01 179.48 2rck h THR 200 N 0.49 1.24 -0.13 1.13 2.02 -1.16 -0.78 112.91 115.72 2rck h THR 200 Ca 0.43 -0.79 -0.17 0.00 0.77 0.00 0.00 66.41 66.65 2rck h THR 200 Cb 0.64 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2rck h THR 200 CO -0.39 0.23 -0.63 0.58 0.37 0.00 0.00 175.52 175.68 2rck h VAL 201 N 0.01 1.35 -0.56 3.16 2.07 -0.65 -2.96 116.25 118.66 2rck h VAL 201 Ca 0.04 -1.95 -0.09 0.00 0.82 0.00 0.00 66.70 65.52 2rck h VAL 201 Cb 0.34 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2rck h VAL 201 CO 0.01 0.60 -0.01 0.22 0.02 0.00 0.00 177.57 178.40 2rck h TYR 202 N 0.34 1.07 -0.72 1.57 5.03 0.24 -0.79 116.97 123.72 2rck h TYR 202 Ca -0.01 -0.18 0.06 0.00 2.58 0.00 0.00 58.73 61.18 2rck h TYR 202 Cb 1.19 -0.28 -0.06 0.00 1.55 0.00 0.00 36.73 39.13 2rck h TYR 202 CO 0.04 0.96 0.41 0.00 -1.32 0.00 0.00 178.16 178.26 2rck h ALA 203 N 1.07 0.97 -0.44 1.82 0.00 -1.04 -0.73 119.26 120.91 2rck h ALA 203 Ca 0.16 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2rck h ALA 203 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2rck h ALA 203 CO 0.03 0.11 -0.10 0.28 0.00 0.00 0.00 179.25 179.57 2rck h VAL 204 N 0.76 1.26 -0.60 0.00 2.07 -1.32 -0.45 116.25 117.97 2rck h VAL 204 Ca 0.32 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2rck h VAL 204 Cb 0.18 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2rck h VAL 204 CO -0.18 0.40 0.38 -1.28 0.02 0.00 0.00 177.57 176.91 2rck h SER 205 N 0.71 0.70 1.93 0.57 0.87 -0.11 -0.61 113.55 117.60 2rck h SER 205 Ca 0.12 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2rck h SER 205 Cb 0.58 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2rck h SER 205 CO 0.04 0.53 -0.00 -0.37 -0.53 0.00 0.00 176.83 176.49 2rck h VAL 206 N 0.81 0.01 0.17 2.23 -1.51 -0.92 -2.96 116.25 114.08 2rck h VAL 206 Ca 0.22 -0.98 -0.01 0.00 -1.23 0.00 0.00 66.70 64.71 2rck h VAL 206 Cb -0.07 1.97 -0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2rck h VAL 206 CO -0.04 0.00 -0.10 -0.74 -1.23 0.00 0.00 177.57 175.46 2rck h HIS 207 N 0.00 -0.27 -0.79 5.19 -0.00 -0.09 -0.44 115.15 118.75 2rck h HIS 207 Ca -0.00 -0.00 0.18 0.00 -0.00 0.00 0.00 60.37 60.55 2rck h HIS 207 Cb 0.97 0.10 -0.12 0.00 -0.00 0.00 0.00 27.41 28.36 2rck h HIS 207 CO 0.00 -0.17 0.24 -0.91 -0.00 0.00 0.00 177.93 177.09 2rck h ASN 208 N -0.27 0.10 0.00 3.26 2.35 -1.05 0.12 115.58 120.09 2rck h ASN 208 Ca -0.02 0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2rck h ASN 208 Cb 0.22 0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2rck h ASN 208 CO 0.02 -0.03 -0.00 0.40 -1.65 0.00 0.00 177.43 176.17 2rck h ILE 209 N 0.31 1.14 -0.96 2.81 2.04 -1.36 -0.88 117.51 120.62 2rck h ILE 209 Ca 0.46 -0.42 0.12 0.00 1.00 0.00 0.00 64.86 66.02 2rck h ILE 209 Cb 0.82 1.43 -0.09 0.00 -0.74 0.00 0.00 36.82 38.24 2rck h ILE 209 CO -0.52 0.11 0.58 -0.09 0.00 0.00 0.00 178.15 178.23 2rck h ARG 210 N -0.18 0.88 -0.13 2.37 2.43 -0.31 -0.86 114.38 118.58 2rck h ARG 210 Ca -0.00 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 2rck h ARG 210 Cb 0.18 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2rck h ARG 210 CO 0.00 0.58 -0.10 0.00 -1.51 0.00 0.00 179.97 178.95 2rck h ALA 211 N 1.53 0.19 -0.49 2.80 0.00 -0.53 -2.70 119.26 120.06 2rck h ALA 211 Ca 0.48 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2rck h ALA 211 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2rck h ALA 211 CO -0.28 0.02 0.28 0.00 0.00 0.00 0.00 179.25 179.27 2rck h ALA 212 N 0.62 0.63 -0.00 0.00 0.00 -0.85 -2.65 119.26 117.01 2rck h ALA 212 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2rck h ALA 212 Cb 0.60 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2rck h ALA 212 CO 0.03 0.14 0.01 0.00 0.00 0.00 0.00 179.25 179.42 2rck h ALA 213 N 1.12 1.58 0.07 0.00 0.00 -1.10 -1.50 119.26 119.42 2rck h ALA 213 Ca 0.18 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 2rck h ALA 213 Cb 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2rck h ALA 213 CO -0.03 -0.01 -1.10 0.00 0.00 0.00 0.00 179.25 178.11 2rck h ARG 214 N 0.00 0.26 -0.47 0.00 3.08 -1.13 -3.26 114.38 112.86 2rck h ARG 214 Ca 0.00 -0.38 -0.33 0.00 0.07 0.00 0.00 59.98 59.35 2rck h ARG 214 Cb 0.01 0.13 -0.23 0.00 0.08 0.00 0.00 29.97 29.97 2rck h ARG 214 CO -0.00 1.13 -0.43 0.44 -1.07 0.00 0.00 179.97 180.05 2rck n ILE 215 N -3.58 2.54 -4.38 2.04 -5.35 -1.08 -4.92 119.36 104.62 2rck n ILE 215 Ca -0.07 -3.52 -0.20 0.00 -0.27 0.00 0.00 62.75 58.70 2rck n ILE 215 Cb 0.94 -0.71 -0.14 0.00 -1.74 0.00 0.00 39.64 38.00 2rck n ILE 215 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2rck s LEU 216 N -3.44 2.15 0.72 7.28 1.43 -0.59 -5.02 118.68 121.21 2rck s LEU 216 Ca 0.47 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 2rck s LEU 216 Cb 0.41 -0.61 0.02 0.00 0.03 0.00 0.00 46.19 46.04 2rck s LEU 216 CO -0.00 0.05 1.07 -2.16 0.23 0.00 0.00 176.35 175.54 2rck s PRO 217 N -1.02 2.71 0.62 1.29 0.04 -1.26 -4.59 135.00 132.79 2rck s PRO 217 Ca 0.02 1.06 0.32 0.00 0.04 0.00 0.00 61.00 62.44 2rck s PRO 217 Cb -0.07 -1.96 1.80 0.00 0.04 0.00 0.00 34.50 34.31 2rck s PRO 217 CO 0.01 -1.28 2.11 1.57 0.04 0.00 0.00 177.00 179.45 2rck h LYS 218 N -0.77 0.00 0.00 4.56 2.10 -1.92 -2.64 116.57 117.90 2rck h LYS 218 Ca -0.44 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.17 2rck h LYS 218 Cb 1.22 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 2rck h LYS 218 CO 0.55 0.00 -0.22 0.66 -2.00 0.00 0.00 179.45 178.44 2rck h SER 219 N 0.00 0.00 -3.54 7.07 4.64 -1.93 -3.41 113.55 116.38 2rck h SER 219 Ca 0.06 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.93 2rck h SER 219 Cb 0.45 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 62.73 2rck h SER 219 CO -0.00 0.22 0.09 0.00 -0.87 0.00 0.00 176.83 176.27 2rck s ALA 220 N -3.99 0.15 0.00 5.18 0.00 -1.00 -3.52 121.76 118.58 2rck s ALA 220 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2rck s ALA 220 Cb 0.12 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2rck s ALA 220 CO 0.63 -3.42 0.00 0.66 0.00 0.00 0.00 175.76 173.64