#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jck n SER 2 N 0.00 0.00 -4.67 4.31 3.41 -1.26 -4.75 113.62 110.67 1jck n SER 2 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 1jck n SER 2 Cb 0.00 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.95 1jck n SER 2 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1jck s GLN 3 N -0.24 4.24 0.46 4.33 0.74 -0.32 -4.97 119.66 123.89 1jck s GLN 3 Ca 0.00 0.66 -0.24 0.00 0.05 0.00 0.00 55.36 55.82 1jck s GLN 3 Cb 0.00 -3.57 -0.07 0.00 1.10 0.00 0.00 33.01 30.47 1jck s GLN 3 CO 0.00 -0.22 1.32 -1.25 -0.55 0.00 0.00 175.29 174.59 1jck s PRO 4 N 1.82 3.64 0.59 1.67 0.04 -1.26 -4.65 135.00 136.85 1jck s PRO 4 Ca 0.30 2.17 -0.20 0.00 0.04 0.00 0.00 61.00 63.30 1jck s PRO 4 Cb -0.16 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 1jck s PRO 4 CO 0.11 -0.76 1.34 -0.51 0.04 0.00 0.00 177.00 177.22 1jck s ASP 5 N -0.85 4.96 0.20 6.66 1.11 -1.26 -4.90 116.67 122.59 1jck s ASP 5 Ca 0.63 2.73 -0.31 0.00 0.18 0.00 0.00 52.55 55.78 1jck s ASP 5 Cb -0.38 -2.63 -0.11 0.00 1.07 0.00 0.00 42.92 40.87 1jck s ASP 5 CO 0.48 -1.78 1.64 -2.16 1.18 0.00 0.00 175.17 174.52 1jck s PRO 6 N -3.10 4.16 0.29 8.23 0.04 -1.26 -5.00 135.00 138.35 1jck s PRO 6 Ca 0.76 2.50 -0.29 0.00 0.04 0.00 0.00 61.00 64.02 1jck s PRO 6 Cb -0.40 -3.10 -0.09 0.00 0.04 0.00 0.00 34.50 30.95 1jck s PRO 6 CO 0.45 -0.67 1.06 1.41 0.04 0.00 0.00 177.00 179.29 1jck s MET 7 N 0.88 4.63 0.43 4.56 -2.45 -1.26 -4.91 119.30 121.17 1jck s MET 7 Ca 0.71 1.70 0.28 0.00 -1.25 0.00 0.00 55.69 57.13 1jck s MET 7 Cb -0.47 -3.12 1.40 0.00 1.25 0.00 0.00 34.83 33.88 1jck s MET 7 CO 0.34 0.23 1.63 -1.00 1.05 0.00 0.00 175.02 177.27 1jck h PRO 8 N 3.71 0.10 -0.73 4.11 0.13 -1.97 0.69 132.00 138.04 1jck h PRO 8 Ca -0.47 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 1jck h PRO 8 Cb 1.21 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1jck h PRO 8 CO 0.67 0.06 0.15 -0.40 -0.23 0.00 0.00 178.00 178.25 1jck n ASP 9 N -4.74 4.79 -0.01 1.44 5.68 -1.26 -3.70 116.55 118.75 1jck n ASP 9 Ca 0.37 -2.98 0.06 0.00 -0.50 0.00 0.00 54.79 51.74 1jck n ASP 9 Cb 1.39 -0.70 -0.10 0.00 -1.14 0.00 0.00 41.12 40.56 1jck n ASP 9 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1jck n ASP 10 N 0.16 1.93 -4.90 -1.12 9.92 0.24 -4.99 116.55 117.78 1jck n ASP 10 Ca 0.32 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 54.30 1jck n ASP 10 Cb 1.21 1.56 -0.00 0.00 -0.64 0.00 0.00 41.12 43.25 1jck n ASP 10 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1jck s LEU 11 N -4.00 3.63 0.28 0.64 0.20 -1.19 -4.95 118.68 113.29 1jck s LEU 11 Ca -0.05 0.99 -0.14 0.00 0.69 0.00 0.00 54.13 55.62 1jck s LEU 11 Cb 0.08 -3.94 -0.08 0.00 -0.43 0.00 0.00 46.19 41.82 1jck s LEU 11 CO 0.56 -0.57 0.67 -1.00 -0.29 0.00 0.00 176.35 175.71 1jck s HIS 12 N -2.72 3.42 -0.15 5.38 3.76 -1.26 -5.06 115.29 118.66 1jck s HIS 12 Ca 0.48 1.12 -0.01 0.00 -0.15 0.00 0.00 55.06 56.50 1jck s HIS 12 Cb -0.10 -2.45 -0.02 0.00 1.11 0.00 0.00 32.58 31.12 1jck s HIS 12 CO 0.44 0.18 -0.10 0.15 -0.85 0.00 0.00 174.74 174.56 1jck s LYS 13 N -2.80 3.45 0.37 1.40 1.02 -1.26 -4.31 119.74 117.61 1jck s LYS 13 Ca 0.50 -0.64 0.09 0.00 0.02 0.00 0.00 55.97 55.94 1jck s LYS 13 Cb -0.11 -2.75 0.74 0.00 -0.52 0.00 0.00 37.83 35.19 1jck s LYS 13 CO 0.19 0.16 1.89 0.66 -0.92 0.00 0.00 175.35 177.34 1jck h SER 14 N 6.90 0.26 0.00 2.83 4.64 -1.54 -1.83 113.55 124.81 1jck h SER 14 Ca -0.29 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1jck h SER 14 Cb 1.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1jck h SER 14 CO 0.58 0.42 0.00 -1.54 -0.87 0.00 0.00 176.83 175.42 1jck n SER 15 N -4.26 0.00 -0.71 4.97 3.41 -1.26 -1.07 113.62 114.70 1jck n SER 15 Ca -0.00 -0.73 0.07 0.00 -0.26 0.00 0.00 58.87 57.94 1jck n SER 15 Cb 0.28 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.38 1jck n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jck n GLU 16 N -0.93 2.20 -3.94 4.33 1.02 -0.69 -4.82 120.64 117.82 1jck n GLU 16 Ca 0.13 -1.90 -0.34 0.00 -0.02 0.00 0.00 57.16 55.03 1jck n GLU 16 Cb 0.06 -1.31 -0.14 0.00 -0.02 0.00 0.00 31.44 30.03 1jck n GLU 16 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1jck s PHE 17 N -1.05 3.29 -0.45 -0.32 5.36 -0.24 -0.72 117.98 123.86 1jck s PHE 17 Ca 0.24 -2.02 0.02 0.00 -0.96 0.00 0.00 56.93 54.22 1jck s PHE 17 Cb 0.14 -2.15 0.56 0.00 -0.34 0.00 0.00 43.02 41.22 1jck s PHE 17 CO 0.19 -0.83 1.88 0.25 -1.46 0.00 0.00 175.22 175.24 1jck n THR 18 N 4.57 3.10 -3.28 0.12 -2.24 0.84 -4.91 114.28 112.49 1jck n THR 18 Ca -0.12 -1.95 0.00 0.00 -2.27 0.00 0.00 64.05 59.70 1jck n THR 18 Cb 0.43 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1jck n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jck n GLY 19 N -0.91 3.85 3.51 3.38 0.00 -1.26 -4.82 105.19 108.93 1jck n GLY 19 Ca 0.55 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1jck n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jck s THR 20 N 0.31 4.17 0.55 2.61 2.01 -1.26 -4.84 115.64 119.19 1jck s THR 20 Ca 0.00 -0.70 0.29 0.00 0.31 0.00 0.00 61.69 61.59 1jck s THR 20 Cb 0.00 -4.89 0.43 0.00 0.01 0.00 0.00 72.50 68.05 1jck s THR 20 CO 0.00 -1.72 1.93 -0.03 -0.69 0.00 0.00 174.62 174.11 1jck h MET 21 N 9.54 0.00 0.00 4.92 4.05 -1.58 -1.96 114.93 129.90 1jck h MET 21 Ca 0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1jck h MET 21 Cb 1.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1jck h MET 21 CO 1.27 0.00 0.02 0.41 0.23 0.00 0.00 176.91 178.84 1jck n GLY 22 N -1.64 -0.15 0.13 1.39 0.00 0.27 0.67 105.19 105.86 1jck n GLY 22 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1jck n GLY 22 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jck h ASN 23 N 0.00 0.00 0.15 1.61 2.35 -1.61 -2.91 115.58 115.18 1jck h ASN 23 Ca 0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.48 1jck h ASN 23 Cb 0.05 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.43 1jck h ASN 23 CO 0.00 0.03 -1.29 -0.03 -1.65 0.00 0.00 177.43 174.49 1jck h MET 24 N 0.00 0.32 -0.43 0.81 4.05 0.02 -3.33 114.93 116.37 1jck h MET 24 Ca -0.01 -0.55 -0.02 0.00 -0.28 0.00 0.00 59.70 58.84 1jck h MET 24 Cb 1.03 0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 32.01 1jck h MET 24 CO 0.00 1.26 0.17 -0.22 0.23 0.00 0.00 176.91 178.36 1jck h LYS 25 N -0.21 0.61 -0.87 0.39 3.64 -1.57 -2.06 116.57 116.50 1jck h LYS 25 Ca -0.25 -0.08 0.16 0.00 -1.27 0.00 0.00 60.65 59.20 1jck h LYS 25 Cb 1.83 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 33.47 1jck h LYS 25 CO 0.13 0.50 0.56 -0.92 -2.27 0.00 0.00 179.45 177.46 1jck h TYR 26 N 0.60 0.69 -0.54 1.91 3.20 -1.62 -1.28 116.97 119.93 1jck h TYR 26 Ca 0.15 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1jck h TYR 26 Cb 0.12 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 1jck h TYR 26 CO 0.01 0.24 0.06 -0.07 -1.64 0.00 0.00 178.16 176.76 1jck h LEU 27 N 0.57 0.88 0.03 2.82 3.38 -1.53 -3.39 115.31 118.07 1jck h LEU 27 Ca 0.44 -0.27 -0.38 0.00 0.09 0.00 0.00 57.88 57.76 1jck h LEU 27 Cb 0.85 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1jck h LEU 27 CO -0.19 0.93 -2.17 -1.22 0.09 0.00 0.00 178.44 175.89 1jck n TYR 28 N -4.34 0.46 -1.63 1.13 4.01 -0.60 -4.39 117.16 111.80 1jck n TYR 28 Ca 0.02 0.14 -0.47 0.00 -0.16 0.00 0.00 57.90 57.43 1jck n TYR 28 Cb 0.28 -1.05 -0.04 0.00 -0.31 0.00 0.00 39.34 38.21 1jck n TYR 28 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1jck n ASP 29 N -3.84 3.34 -2.72 7.72 2.03 -0.59 -3.16 116.55 119.34 1jck n ASP 29 Ca -0.43 0.73 -0.09 0.00 0.52 0.00 0.00 54.79 55.52 1jck n ASP 29 Cb 0.91 -1.42 -0.02 0.00 -0.72 0.00 0.00 41.12 39.87 1jck n ASP 29 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1jck n ASP 30 N 8.26 -0.01 -3.85 1.67 2.03 -1.26 -4.87 116.55 118.52 1jck n ASP 30 Ca 0.26 -0.32 -0.27 0.00 0.52 0.00 0.00 54.79 54.98 1jck n ASP 30 Cb 0.33 -0.41 -0.17 0.00 -0.72 0.00 0.00 41.12 40.16 1jck n ASP 30 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1jck s HIS 31 N -2.71 1.36 0.18 -0.67 2.46 -1.19 -5.10 115.29 109.62 1jck s HIS 31 Ca 0.08 -0.79 -0.23 0.00 0.47 0.00 0.00 55.06 54.59 1jck s HIS 31 Cb -0.04 -1.16 0.07 0.00 -0.13 0.00 0.00 32.58 31.32 1jck s HIS 31 CO 0.26 -0.53 1.02 1.52 -2.47 0.00 0.00 174.74 174.54 1jck s TYR 32 N 1.75 0.03 -0.06 3.88 -0.85 -1.26 -4.50 117.35 116.34 1jck s TYR 32 Ca 0.02 -0.42 0.06 0.00 -0.52 0.00 0.00 57.07 56.22 1jck s TYR 32 Cb -0.14 0.69 -0.01 0.00 0.38 0.00 0.00 41.96 42.88 1jck s TYR 32 CO -0.07 -0.91 -0.25 0.08 -1.52 0.00 0.00 175.55 172.88 1jck s VAL 33 N -2.39 2.09 -0.04 -3.49 1.01 0.09 -4.81 120.40 112.86 1jck s VAL 33 Ca 0.20 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1jck s VAL 33 Cb -0.02 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1jck s VAL 33 CO 0.05 0.57 -0.08 -0.55 0.00 0.00 0.00 175.10 175.08 1jck s SER 34 N -0.15 1.24 0.01 3.32 0.15 -1.25 -2.64 113.70 114.37 1jck s SER 34 Ca -0.04 -0.19 -0.06 0.00 0.70 0.00 0.00 55.95 56.36 1jck s SER 34 Cb -0.14 -0.45 -0.00 0.00 -1.71 0.00 0.00 66.02 63.72 1jck s SER 34 CO 0.04 0.03 0.11 0.00 1.20 0.00 0.00 173.24 174.61 1jck s ALA 35 N 0.46 -0.23 -0.06 5.45 0.00 0.13 -4.92 121.76 122.58 1jck s ALA 35 Ca -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 1jck s ALA 35 Cb -0.11 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.18 1jck s ALA 35 CO 0.01 -0.21 0.13 0.99 0.00 0.00 0.00 175.76 176.67 1jck s THR 36 N -1.53 -0.12 -1.01 0.00 2.01 -1.26 -1.25 115.64 112.48 1jck s THR 36 Ca -0.14 0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.04 1jck s THR 36 Cb -0.07 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.16 1jck s THR 36 CO 0.01 0.11 0.86 1.17 -0.69 0.00 0.00 174.62 176.07 1jck n LYS 37 N 4.63 -1.90 -5.16 4.92 4.81 0.22 -4.97 118.16 120.71 1jck n LYS 37 Ca -0.18 0.90 -0.29 0.00 -0.87 0.00 0.00 58.31 57.86 1jck n LYS 37 Cb 0.51 -5.45 -0.16 0.00 0.02 0.00 0.00 35.03 29.95 1jck n LYS 37 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1jck s VAL 38 N -3.33 1.85 -0.05 3.15 1.01 -0.37 -4.87 120.40 117.79 1jck s VAL 38 Ca 0.38 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1jck s VAL 38 Cb -0.07 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1jck s VAL 38 CO 0.77 0.52 0.02 -0.54 0.00 0.00 0.00 175.10 175.87 1jck s LYS 39 N -0.50 2.96 0.51 2.72 -0.14 -1.26 -1.83 119.74 122.19 1jck s LYS 39 Ca 0.08 -0.46 -0.23 0.00 -1.36 0.00 0.00 55.97 54.00 1jck s LYS 39 Cb -0.09 -2.78 -0.06 0.00 -1.68 0.00 0.00 37.83 33.21 1jck s LYS 39 CO -0.00 0.68 1.30 0.45 -0.76 0.00 0.00 175.35 177.02 1jck n SER 40 N 1.81 2.52 0.00 2.83 2.88 -1.25 -4.55 113.62 117.85 1jck n SER 40 Ca -0.17 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1jck n SER 40 Cb 0.53 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1jck n SER 40 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1jck n VAL 41 N -0.82 0.00 -3.84 2.46 0.24 0.28 -4.95 118.33 111.70 1jck n VAL 41 Ca 0.09 -0.27 -0.07 0.00 -2.04 0.00 0.00 64.34 62.06 1jck n VAL 41 Cb 0.43 0.80 0.03 0.00 -1.47 0.00 0.00 33.84 33.63 1jck n VAL 41 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1jck n ASP 42 N -0.93 -2.13 -3.69 -1.34 -0.08 -1.11 -5.00 116.55 102.27 1jck n ASP 42 Ca 0.00 -2.37 -0.11 0.00 -1.51 0.00 0.00 54.79 50.80 1jck n ASP 42 Cb 0.00 3.52 -0.09 0.00 2.34 0.00 0.00 41.12 46.89 1jck n ASP 42 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1jck s LYS 43 N -2.08 0.52 -0.01 -0.67 1.02 -1.26 -1.21 119.74 116.06 1jck s LYS 43 Ca 0.18 0.82 -0.01 0.00 0.02 0.00 0.00 55.97 56.99 1jck s LYS 43 Cb -0.04 0.13 -0.00 0.00 -0.52 0.00 0.00 37.83 37.40 1jck s LYS 43 CO 0.10 -0.12 -0.01 0.34 -0.92 0.00 0.00 175.35 174.74 1jck n PHE 44 N 3.67 0.03 -5.16 3.18 7.35 -1.25 -4.97 117.46 120.31 1jck n PHE 44 Ca -0.19 0.01 -0.32 0.00 -0.76 0.00 0.00 57.45 56.20 1jck n PHE 44 Cb 0.56 -0.20 -0.15 0.00 0.35 0.00 0.00 39.48 40.04 1jck n PHE 44 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1jck s LEU 45 N -4.83 2.28 0.00 -2.13 1.43 -1.26 -5.05 118.68 109.12 1jck s LEU 45 Ca -0.01 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1jck s LEU 45 Cb 0.00 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1jck s LEU 45 CO 0.01 0.33 0.00 0.00 0.23 0.00 0.00 176.35 176.92 1jck n ALA 46 N 2.38 0.00 0.33 4.21 0.00 -1.26 -0.18 120.51 126.00 1jck n ALA 46 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1jck n ALA 46 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1jck n ALA 46 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1jck n HIS 47 N -1.94 0.00 -4.01 0.00 1.44 -1.26 -4.68 115.22 104.77 1jck n HIS 47 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 1jck n HIS 47 Cb 0.00 -0.01 -0.15 0.00 0.12 0.00 0.00 29.99 29.95 1jck n HIS 47 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1jck s ASP 48 N -1.49 0.40 0.08 4.39 1.47 0.75 -0.44 116.67 121.83 1jck s ASP 48 Ca 0.00 -0.05 0.05 0.00 1.18 0.00 0.00 52.55 53.73 1jck s ASP 48 Cb 0.00 -0.12 -0.04 0.00 -0.34 0.00 0.00 42.92 42.42 1jck s ASP 48 CO 0.00 -0.02 -0.02 -0.76 0.68 0.00 0.00 175.17 175.06 1jck s LEU 49 N 0.36 3.39 -0.10 2.11 1.43 -0.90 -3.77 118.68 121.21 1jck s LEU 49 Ca -0.03 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1jck s LEU 49 Cb -0.06 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1jck s LEU 49 CO -0.01 0.19 -0.20 -0.63 0.23 0.00 0.00 176.35 175.94 1jck s ILE 50 N -1.26 2.45 0.08 -0.59 1.01 -0.35 -2.16 121.20 120.39 1jck s ILE 50 Ca 0.24 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 60.10 1jck s ILE 50 Cb -0.12 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 1jck s ILE 50 CO 0.16 0.55 -0.26 -0.31 0.00 0.00 0.00 174.94 175.09 1jck s TYR 51 N 0.16 2.24 -0.77 3.97 1.51 0.68 -0.55 117.35 124.58 1jck s TYR 51 Ca -0.11 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.32 1jck s TYR 51 Cb -0.16 -1.28 0.07 0.00 -0.11 0.00 0.00 41.96 40.48 1jck s TYR 51 CO 0.06 0.22 1.14 -0.80 -1.11 0.00 0.00 175.55 175.06 1jck s ASN 52 N -1.62 6.28 -0.08 2.29 0.01 -1.26 -0.86 114.94 119.70 1jck s ASN 52 Ca 0.12 -1.07 -0.03 0.00 -0.71 0.00 0.00 52.86 51.17 1jck s ASN 52 Cb -0.10 -2.47 0.04 0.00 0.41 0.00 0.00 41.25 39.13 1jck s ASN 52 CO 0.04 -1.50 0.07 -0.63 -1.51 0.00 0.00 177.10 173.56 1jck s ILE 53 N 4.43 -0.07 0.45 0.60 1.01 -0.99 -4.97 121.20 121.66 1jck s ILE 53 Ca 0.30 0.22 -0.10 0.00 0.00 0.00 0.00 60.65 61.07 1jck s ILE 53 Cb -0.10 -0.31 -0.06 0.00 0.01 0.00 0.00 42.46 41.99 1jck s ILE 53 CO 0.06 0.04 0.83 0.21 0.00 0.00 0.00 174.94 176.07 1jck s ASN 54 N 2.15 6.46 -1.24 3.58 3.84 -1.26 -2.38 114.94 126.09 1jck s ASN 54 Ca 0.04 1.19 -0.19 0.00 0.21 0.00 0.00 52.86 54.11 1jck s ASN 54 Cb -0.13 -2.35 0.07 0.00 -0.55 0.00 0.00 41.25 38.29 1jck s ASN 54 CO -0.05 -0.50 1.66 -0.62 -2.79 0.00 0.00 177.10 174.80 1jck s ASP 55 N -3.41 6.79 0.38 -4.21 2.15 0.11 -4.81 116.67 113.67 1jck s ASP 55 Ca 0.52 -2.30 0.13 0.00 0.43 0.00 0.00 52.55 51.33 1jck s ASP 55 Cb -0.10 -2.57 0.93 0.00 -0.30 0.00 0.00 42.92 40.89 1jck s ASP 55 CO 0.36 -1.20 1.85 0.11 -0.17 0.00 0.00 175.17 176.12 1jck h LYS 56 N 7.96 0.55 -0.40 4.34 1.79 -1.94 0.35 116.57 129.22 1jck h LYS 56 Ca 0.39 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.73 1jck h LYS 56 Cb 0.90 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 1jck h LYS 56 CO 1.44 0.36 -0.15 0.87 -1.08 0.00 0.00 179.45 180.89 1jck h LYS 57 N 0.56 0.81 -0.08 3.15 1.57 -1.97 -3.41 116.57 117.20 1jck h LYS 57 Ca 0.47 -0.33 -0.18 0.00 -1.87 0.00 0.00 60.65 58.74 1jck h LYS 57 Cb 0.94 -0.03 -0.20 0.00 0.08 0.00 0.00 32.23 33.02 1jck h LYS 57 CO -0.21 0.96 -0.45 -0.11 -0.57 0.00 0.00 179.45 179.07 1jck n LEU 58 N -4.28 -0.80 -3.10 2.94 7.94 -1.02 -5.04 117.00 113.63 1jck n LEU 58 Ca -0.01 -3.06 -0.06 0.00 -1.11 0.00 0.00 56.01 51.76 1jck n LEU 58 Cb 0.40 0.16 -0.01 0.00 0.53 0.00 0.00 43.42 44.49 1jck n LEU 58 CO 0.44 1.55 -0.06 -3.20 -1.11 0.00 0.00 177.39 175.00 1jck n ASN 59 N -1.22 -0.10 -0.04 1.96 5.15 0.12 -4.77 115.26 116.38 1jck n ASN 59 Ca -0.13 -0.21 -0.11 0.00 -0.60 0.00 0.00 54.58 53.52 1jck n ASN 59 Cb 0.86 -0.26 -0.14 0.00 -0.53 0.00 0.00 39.78 39.70 1jck n ASN 59 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1jck n ASN 60 N -0.03 0.96 -3.80 1.20 3.02 -1.26 -4.95 115.26 110.41 1jck n ASN 60 Ca -0.04 0.29 -0.14 0.00 -0.03 0.00 0.00 54.58 54.65 1jck n ASN 60 Cb 0.11 -0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.18 1jck n ASN 60 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1jck s TYR 61 N -2.57 1.22 0.00 3.10 -0.85 -1.26 -2.61 117.35 114.38 1jck s TYR 61 Ca -0.10 -1.37 0.00 0.00 -0.52 0.00 0.00 57.07 55.08 1jck s TYR 61 Cb 0.07 -0.45 0.00 0.00 0.38 0.00 0.00 41.96 41.97 1jck s TYR 61 CO 0.81 -0.82 0.30 -0.40 -1.52 0.00 0.00 175.55 173.92 1jck n ASP 62 N -0.81 0.00 -3.90 -0.18 5.75 0.09 0.09 116.55 117.58 1jck n ASP 62 Ca 0.03 -1.00 -0.11 0.00 -0.01 0.00 0.00 54.79 53.70 1jck n ASP 62 Cb 0.64 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.61 1jck n ASP 62 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1jck s LYS 63 N 0.00 0.25 -0.02 0.11 1.02 -1.00 -2.36 119.74 117.74 1jck s LYS 63 Ca 0.00 -0.29 0.01 0.00 0.02 0.00 0.00 55.97 55.71 1jck s LYS 63 Cb 0.00 0.10 0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1jck s LYS 63 CO 0.00 -0.05 -0.01 0.08 -0.92 0.00 0.00 175.35 174.45 1jck s VAL 64 N -0.85 0.20 -0.25 3.17 1.01 -0.04 -1.96 120.40 121.68 1jck s VAL 64 Ca -0.09 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1jck s VAL 64 Cb -0.06 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.10 1jck s VAL 64 CO -0.00 0.12 -0.07 -0.75 0.00 0.00 0.00 175.10 174.40 1jck s LYS 65 N 0.69 2.67 -0.19 2.72 2.20 -1.02 -0.23 119.74 126.58 1jck s LYS 65 Ca -0.07 -1.08 -0.06 0.00 -0.36 0.00 0.00 55.97 54.40 1jck s LYS 65 Cb -0.10 -2.97 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 1jck s LYS 65 CO -0.01 -0.45 0.02 -0.08 -0.36 0.00 0.00 175.35 174.46 1jck s THR 66 N 1.27 4.23 -0.11 3.43 -1.32 -0.92 0.21 115.64 122.44 1jck s THR 66 Ca -0.02 -0.22 -0.05 0.00 -1.21 0.00 0.00 61.69 60.19 1jck s THR 66 Cb -0.17 -2.91 -0.04 0.00 -1.51 0.00 0.00 72.50 67.87 1jck s THR 66 CO -0.05 0.44 0.07 -1.61 -2.21 0.00 0.00 174.62 171.27 1jck s GLU 67 N 0.73 3.27 0.18 7.08 2.02 -0.24 -2.12 118.70 129.62 1jck s GLU 67 Ca 0.01 -0.27 0.10 0.00 0.02 0.00 0.00 54.97 54.83 1jck s GLU 67 Cb -0.14 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 1jck s GLU 67 CO 0.02 0.71 -0.15 -0.51 0.02 0.00 0.00 175.26 175.35 1jck s LEU 68 N -0.86 2.78 0.55 1.80 1.43 0.41 -1.83 118.68 122.96 1jck s LEU 68 Ca 0.13 -0.66 0.33 0.00 -1.03 0.00 0.00 54.13 52.91 1jck s LEU 68 Cb -0.12 -1.50 1.49 0.00 0.03 0.00 0.00 46.19 46.10 1jck s LEU 68 CO 0.03 0.12 1.82 0.25 0.23 0.00 0.00 176.35 178.80 1jck h LEU 69 N 3.11 0.00 -7.29 1.79 6.46 -1.34 -3.44 115.31 114.59 1jck h LEU 69 Ca -0.47 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.23 1jck h LEU 69 Cb 1.20 0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 40.98 1jck h LEU 69 CO 0.51 0.00 -0.03 0.54 -0.62 0.00 0.00 178.44 178.84 1jck s ASN 70 N -5.24 -0.35 0.56 1.25 2.20 -1.26 -5.02 114.94 107.08 1jck s ASN 70 Ca -0.05 0.01 0.24 0.00 -0.94 0.00 0.00 52.86 52.12 1jck s ASN 70 Cb 0.21 0.47 1.57 0.00 -2.00 0.00 0.00 41.25 41.49 1jck s ASN 70 CO 0.74 -0.74 2.18 1.05 -2.94 0.00 0.00 177.10 177.40 1jck h GLU 71 N 2.75 0.00 -0.47 3.55 9.09 -1.85 -0.71 114.58 126.94 1jck h GLU 71 Ca -0.32 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.15 1jck h GLU 71 Cb 1.22 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.27 1jck h GLU 71 CO 0.43 0.00 0.20 -0.44 0.05 0.00 0.00 179.01 179.25 1jck h ASP 72 N 0.00 0.24 0.05 3.06 3.32 -1.95 0.50 116.42 121.65 1jck h ASP 72 Ca 0.02 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1jck h ASP 72 Cb 0.11 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1jck h ASP 72 CO -0.00 0.17 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.21 1jck h LEU 73 N 0.39 0.49 0.51 1.55 3.38 -1.54 -1.19 115.31 118.90 1jck h LEU 73 Ca 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1jck h LEU 73 Cb 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jck h LEU 73 CO -0.19 0.85 -0.24 0.00 0.09 0.00 0.00 178.44 178.94 1jck h ALA 74 N 1.17 -0.68 -0.72 1.53 0.00 -0.76 -2.95 119.26 116.84 1jck h ALA 74 Ca 0.03 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.96 1jck h ALA 74 Cb 0.90 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1jck h ALA 74 CO 0.08 -0.71 0.55 -0.91 0.00 0.00 0.00 179.25 178.25 1jck h ASN 75 N -1.02 0.00 0.90 0.00 2.35 0.02 -0.90 115.58 116.92 1jck h ASN 75 Ca -0.07 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1jck h ASN 75 Cb 0.61 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.99 1jck h ASN 75 CO 0.11 0.00 -0.43 0.50 -1.65 0.00 0.00 177.43 175.96 1jck h LYS 76 N 0.00 -1.16 -0.00 0.81 3.64 -1.04 -3.21 116.57 115.60 1jck h LYS 76 Ca 0.34 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1jck h LYS 76 Cb 1.43 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1jck h LYS 76 CO -0.00 -0.77 -0.09 0.66 -2.27 0.00 0.00 179.45 176.98 1jck n TYR 77 N -5.59 0.00 -0.30 1.91 4.02 -0.78 -4.40 117.16 112.02 1jck n TYR 77 Ca -0.15 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.74 1jck n TYR 77 Cb 0.48 -0.25 0.05 0.00 -0.02 0.00 0.00 39.34 39.61 1jck n TYR 77 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1jck n LYS 78 N -1.14 -0.16 -1.04 -0.72 4.81 -0.41 -0.26 118.16 119.24 1jck n LYS 78 Ca 0.13 1.22 -0.09 0.00 -0.87 0.00 0.00 58.31 58.70 1jck n LYS 78 Cb 0.27 -1.82 0.16 0.00 0.02 0.00 0.00 35.03 33.67 1jck n LYS 78 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jck n ASP 79 N -5.20 3.17 -4.42 3.14 8.00 -1.26 -3.96 116.55 116.03 1jck n ASP 79 Ca 0.09 -3.80 -0.35 0.00 0.71 0.00 0.00 54.79 51.44 1jck n ASP 79 Cb 0.34 -0.61 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 1jck n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jck s GLU 80 N -3.36 3.55 -0.06 -1.24 0.41 0.64 -5.03 118.70 113.62 1jck s GLU 80 Ca 0.47 -0.56 -0.30 0.00 -0.41 0.00 0.00 54.97 54.17 1jck s GLU 80 Cb 0.41 -3.01 -0.06 0.00 -1.78 0.00 0.00 34.13 29.69 1jck s GLU 80 CO -0.00 0.00 1.70 0.08 -0.49 0.00 0.00 175.26 176.55 1jck s VAL 81 N 0.99 3.50 0.14 2.63 1.01 -1.26 -4.59 120.40 122.83 1jck s VAL 81 Ca 0.01 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.61 1jck s VAL 81 Cb -0.14 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1jck s VAL 81 CO 0.01 -0.07 0.07 1.33 0.00 0.00 0.00 175.10 176.44 1jck n VAL 82 N 5.59 0.00 -4.50 2.92 0.24 -0.76 -2.14 118.33 119.68 1jck n VAL 82 Ca 0.18 -0.88 -0.29 0.00 -2.04 0.00 0.00 64.34 61.31 1jck n VAL 82 Cb 0.43 0.35 -0.13 0.00 -1.47 0.00 0.00 33.84 33.02 1jck n VAL 82 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1jck s ASP 83 N -1.90 3.28 -0.07 -1.34 1.01 -0.40 -0.61 116.67 116.64 1jck s ASP 83 Ca 0.10 -0.72 0.02 0.00 0.71 0.00 0.00 52.55 52.66 1jck s ASP 83 Cb 0.00 -0.23 0.02 0.00 1.01 0.00 0.00 42.92 43.72 1jck s ASP 83 CO 0.07 0.19 -0.09 -0.69 0.21 0.00 0.00 175.17 174.86 1jck s VAL 84 N -1.01 0.96 -0.20 -1.27 1.01 -0.38 -2.76 120.40 116.75 1jck s VAL 84 Ca 0.13 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 1jck s VAL 84 Cb -0.10 -0.91 0.06 0.00 0.00 0.00 0.00 36.38 35.43 1jck s VAL 84 CO 0.05 0.32 0.48 -0.47 0.00 0.00 0.00 175.10 175.48 1jck s TYR 85 N 0.88 -0.71 0.00 5.22 6.14 -0.49 0.17 117.35 128.56 1jck s TYR 85 Ca -0.11 1.49 0.00 0.00 0.64 0.00 0.00 57.07 59.09 1jck s TYR 85 Cb -0.15 0.35 0.00 0.00 0.42 0.00 0.00 41.96 42.58 1jck s TYR 85 CO 0.01 -0.38 0.00 0.41 0.64 0.00 0.00 175.55 176.23 1jck n GLY 86 N 4.22 2.68 3.69 8.97 0.00 -1.08 -4.22 105.19 119.45 1jck n GLY 86 Ca -0.22 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1jck n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jck s SER 87 N 0.00 6.98 0.17 1.61 0.15 -1.26 -0.73 113.70 120.62 1jck s SER 87 Ca 0.00 1.95 0.04 0.00 0.70 0.00 0.00 55.95 58.64 1jck s SER 87 Cb 0.00 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 1jck s SER 87 CO 0.00 -0.62 0.24 0.54 1.20 0.00 0.00 173.24 174.60 1jck s ASN 88 N 1.56 6.00 0.39 5.45 4.22 -1.26 -4.66 114.94 126.63 1jck s ASN 88 Ca 0.59 0.02 0.03 0.00 -2.14 0.00 0.00 52.86 51.37 1jck s ASN 88 Cb -0.28 -1.71 -0.04 0.00 1.28 0.00 0.00 41.25 40.51 1jck s ASN 88 CO 0.24 0.03 0.09 -0.72 -2.04 0.00 0.00 177.10 174.71 1jck s TYR 89 N -1.81 1.87 0.05 1.54 -0.85 -0.68 -4.93 117.35 112.54 1jck s TYR 89 Ca 0.33 -1.13 0.00 0.00 -0.52 0.00 0.00 57.07 55.76 1jck s TYR 89 Cb -0.10 -1.26 0.00 0.00 0.38 0.00 0.00 41.96 40.98 1jck s TYR 89 CO 0.27 -0.13 0.00 0.66 -1.52 0.00 0.00 175.55 174.83 1jck n TYR 90 N -0.87 -0.29 -1.73 -3.49 4.01 -1.26 -2.33 117.16 111.21 1jck n TYR 90 Ca -0.06 0.05 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1jck n TYR 90 Cb 0.66 0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 39.86 1jck n TYR 90 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1jck s VAL 91 N -2.00 3.13 0.00 -0.72 1.01 -1.26 -1.39 120.40 119.17 1jck s VAL 91 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1jck s VAL 91 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1jck s VAL 91 CO 0.00 -0.04 0.00 0.59 0.00 0.00 0.00 175.10 175.65 1jck n ASN 92 N 8.91 -0.92 -4.28 3.32 3.02 -1.26 -4.60 115.26 119.44 1jck n ASN 92 Ca 0.23 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.33 1jck n ASN 92 Cb 0.43 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1jck n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jck s TYR 94 N 0.00 3.23 -0.13 0.00 2.02 -1.26 -4.70 117.35 116.51 1jck s TYR 94 Ca 0.19 0.08 0.10 0.00 -0.37 0.00 0.00 57.07 57.07 1jck s TYR 94 Cb -0.12 -1.99 -0.15 0.00 -0.40 0.00 0.00 41.96 39.30 1jck s TYR 94 CO -0.08 0.24 0.02 1.19 -1.57 0.00 0.00 175.55 175.36 1jck n PHE 95 N 3.10 0.00 -4.31 2.71 3.01 -1.26 -5.01 117.46 115.70 1jck n PHE 95 Ca -0.17 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.03 1jck n PHE 95 Cb 0.53 -0.64 -0.09 0.00 -0.01 0.00 0.00 39.48 39.26 1jck n PHE 95 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1jck s SER 96 N -4.71 4.20 0.25 4.37 0.01 -1.26 -4.77 113.70 111.79 1jck s SER 96 Ca -0.08 -0.63 -0.05 0.00 1.31 0.00 0.00 55.95 56.49 1jck s SER 96 Cb 0.04 -0.68 0.30 0.00 0.21 0.00 0.00 66.02 65.89 1jck s SER 96 CO 0.52 0.09 1.90 0.77 0.41 0.00 0.00 173.24 176.93 1jck h SER 97 N 2.74 1.06 -0.11 2.44 4.64 -1.99 -3.11 113.55 119.22 1jck h SER 97 Ca -0.46 -0.01 -0.48 0.00 -0.47 0.00 0.00 61.79 60.37 1jck h SER 97 Cb 1.21 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 1jck h SER 97 CO 0.55 0.74 1.93 2.29 -0.87 0.00 0.00 176.83 181.47 1jck n LYS 98 N -4.46 3.02 -3.68 4.77 -0.00 -1.26 -4.74 118.16 111.81 1jck n LYS 98 Ca 0.13 -1.80 -0.26 0.00 -0.00 0.00 0.00 58.31 56.38 1jck n LYS 98 Cb 0.08 -2.44 -0.17 0.00 -0.00 0.00 0.00 35.03 32.50 1jck n LYS 98 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jck s ASP 99 N 1.92 2.40 0.88 -5.58 -1.08 -1.18 -5.12 116.67 108.92 1jck s ASP 99 Ca 0.67 -0.59 -0.13 0.00 -0.52 0.00 0.00 52.55 51.99 1jck s ASP 99 Cb 0.25 -0.40 0.12 0.00 -1.46 0.00 0.00 42.92 41.43 1jck s ASP 99 CO -0.05 -0.31 1.17 0.54 0.52 0.00 0.00 175.17 177.05 1jck s ASN 100 N 2.01 3.80 0.03 -0.34 4.22 -1.26 -4.95 114.94 118.44 1jck s ASN 100 Ca 0.01 0.82 -0.36 0.00 -2.14 0.00 0.00 52.86 51.19 1jck s ASN 100 Cb -0.16 -1.30 -0.15 0.00 1.28 0.00 0.00 41.25 40.92 1jck s ASN 100 CO -0.08 -2.36 1.53 0.55 -2.04 0.00 0.00 177.10 174.70 1jck n VAL 101 N -3.62 0.11 -0.43 3.54 3.14 -1.26 -4.30 118.33 115.52 1jck n VAL 101 Ca 0.08 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1jck n VAL 101 Cb 0.60 -1.19 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 1jck n VAL 101 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1jck n GLY 102 N 3.24 -0.67 3.53 7.55 0.00 -1.26 -4.88 105.19 112.69 1jck n GLY 102 Ca 0.20 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 1jck n GLY 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jck n LYS 103 N 0.75 0.44 0.13 1.61 0.00 -1.26 -4.78 118.16 115.05 1jck n LYS 103 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 58.31 58.17 1jck n LYS 103 Cb 0.00 -2.42 0.15 0.00 0.00 0.00 0.00 35.03 32.76 1jck n LYS 103 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1jck h VAL 104 N 7.71 1.44 -3.75 3.15 -1.51 -1.90 -3.46 116.25 117.93 1jck h VAL 104 Ca -0.10 -2.22 -0.43 0.00 -1.23 0.00 0.00 66.70 62.73 1jck h VAL 104 Cb 1.22 2.20 0.18 0.00 -2.13 0.00 0.00 31.29 32.77 1jck h VAL 104 CO 1.29 0.63 0.28 0.28 -1.23 0.00 0.00 177.57 178.82 1jck s THR 105 N -3.52 1.79 0.08 7.19 -1.32 -1.26 -5.11 115.64 113.50 1jck s THR 105 Ca -0.01 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.39 1jck s THR 105 Cb 0.12 -2.75 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 1jck s THR 105 CO 0.76 0.00 0.16 -0.44 -2.21 0.00 0.00 174.62 172.90 1jck s SER 106 N -4.43 0.16 0.00 8.08 0.01 -1.26 -4.90 113.70 111.36 1jck s SER 106 Ca 0.73 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1jck s SER 106 Cb -0.06 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1jck s SER 106 CO 0.54 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1jck n GLY 107 N 0.02 0.78 3.16 3.44 0.00 -1.07 -5.02 105.19 106.50 1jck n GLY 107 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1jck n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jck s LYS 108 N -0.67 0.60 0.33 1.61 -2.85 -1.26 -0.73 119.74 116.76 1jck s LYS 108 Ca 0.00 -0.44 0.05 0.00 -1.00 0.00 0.00 55.97 54.58 1jck s LYS 108 Cb 0.00 0.25 -0.02 0.00 -2.06 0.00 0.00 37.83 36.00 1jck s LYS 108 CO 0.00 -0.16 0.17 -2.37 0.10 0.00 0.00 175.35 173.09 1jck n THR 109 N 1.14 0.00 -4.25 3.79 5.66 -0.83 -4.89 114.28 114.90 1jck n THR 109 Ca -0.21 -2.05 -0.14 0.00 -3.05 0.00 0.00 64.05 58.60 1jck n THR 109 Cb 0.57 0.84 -0.10 0.00 -1.55 0.00 0.00 70.33 70.09 1jck n THR 109 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jck s MET 111 N -4.03 0.06 0.00 0.00 0.23 0.13 -1.69 119.30 114.00 1jck s MET 111 Ca 0.33 -0.04 0.03 0.00 -1.03 0.00 0.00 55.69 54.98 1jck s MET 111 Cb 0.07 0.02 -0.01 0.00 -1.53 0.00 0.00 34.83 33.38 1jck s MET 111 CO 0.09 -0.03 -0.09 0.71 -2.03 0.00 0.00 175.02 173.68 1jck s TYR 112 N -2.01 0.79 0.00 3.16 2.02 -1.26 -1.08 117.35 118.97 1jck s TYR 112 Ca 0.30 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 1jck s TYR 112 Cb 0.01 -0.50 0.00 0.00 -0.40 0.00 0.00 41.96 41.07 1jck s TYR 112 CO -0.03 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.34 1jck n GLY 113 N 2.65 3.16 2.73 0.71 0.00 -0.76 -4.74 105.19 108.94 1jck n GLY 113 Ca -0.15 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1jck n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jck n GLY 114 N 0.00 0.19 3.87 -0.02 0.00 -1.26 -4.83 105.19 103.14 1jck n GLY 114 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1jck n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jck s ILE 115 N -1.42 5.27 -0.10 -0.61 1.01 -1.26 -1.39 121.20 122.70 1jck s ILE 115 Ca 0.00 0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.90 1jck s ILE 115 Cb 0.00 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.93 1jck s ILE 115 CO 0.00 0.48 0.33 0.42 0.00 0.00 0.00 174.94 176.17 1jck s THR 116 N -1.18 0.01 0.59 2.92 -4.23 -1.11 -4.96 115.64 107.68 1jck s THR 116 Ca 0.24 -0.11 -0.20 0.00 -1.18 0.00 0.00 61.69 60.44 1jck s THR 116 Cb -0.14 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.17 1jck s THR 116 CO 0.12 -0.06 1.34 0.29 -0.54 0.00 0.00 174.62 175.78 1jck n LYS 117 N 2.54 1.45 0.01 3.99 5.02 -1.26 -1.27 118.16 128.64 1jck n LYS 117 Ca -0.15 0.55 -0.13 0.00 -2.02 0.00 0.00 58.31 56.56 1jck n LYS 117 Cb 0.57 -2.57 -0.14 0.00 -0.02 0.00 0.00 35.03 32.88 1jck n LYS 117 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1jck h HIS 118 N 1.04 0.21 -1.53 2.13 -0.00 -1.71 -3.42 115.15 111.88 1jck h HIS 118 Ca -0.51 -0.15 -0.65 0.00 -0.00 0.00 0.00 60.37 59.06 1jck h HIS 118 Cb 1.32 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 28.72 1jck h HIS 118 CO 0.43 1.27 1.28 -1.91 -0.00 0.00 0.00 177.93 179.01 1jck n GLU 119 N -3.25 1.52 -0.77 5.26 4.07 -1.26 -2.32 120.64 123.89 1jck n GLU 119 Ca -0.19 0.48 0.00 0.00 -0.06 0.00 0.00 57.16 57.39 1jck n GLU 119 Cb 1.04 -2.58 0.00 0.00 -0.06 0.00 0.00 31.44 29.84 1jck n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jck n GLY 120 N 5.57 0.00 0.12 8.31 0.00 -1.26 -4.76 105.19 113.17 1jck n GLY 120 Ca 0.33 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.48 1jck n GLY 120 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1jck h ASN 121 N 0.00 0.00 -2.84 1.61 -1.24 -1.70 -3.45 115.58 107.97 1jck h ASN 121 Ca 0.00 0.00 -0.64 0.00 0.71 0.00 0.00 56.30 56.37 1jck h ASN 121 Cb 0.66 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.65 1jck h ASN 121 CO 0.00 0.00 -0.35 -1.00 -1.29 0.00 0.00 177.43 174.79 1jck s HIS 122 N -3.12 3.65 0.12 0.67 3.76 -1.26 -0.10 115.29 119.01 1jck s HIS 122 Ca 0.10 0.72 -0.35 0.00 -0.15 0.00 0.00 55.06 55.39 1jck s HIS 122 Cb 0.11 -2.09 -0.17 0.00 1.11 0.00 0.00 32.58 31.55 1jck s HIS 122 CO 0.60 0.68 1.18 1.19 -0.85 0.00 0.00 174.74 177.54 1jck n PHE 123 N 1.76 1.19 -0.33 1.40 3.72 -1.24 -4.88 117.46 119.09 1jck n PHE 123 Ca -0.16 0.73 0.25 0.00 -0.05 0.00 0.00 57.45 58.22 1jck n PHE 123 Cb 0.54 -2.26 0.48 0.00 -0.94 0.00 0.00 39.48 37.30 1jck n PHE 123 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1jck h ASP 124 N 3.63 0.17 -0.16 4.37 3.04 -1.94 -0.04 116.42 125.49 1jck h ASP 124 Ca -0.45 0.24 -0.04 0.00 -3.24 0.00 0.00 57.03 53.54 1jck h ASP 124 Cb 1.36 0.28 -0.02 0.00 -1.04 0.00 0.00 39.33 39.91 1jck h ASP 124 CO 0.71 -0.33 -0.09 0.59 -2.04 0.00 0.00 179.24 178.08 1jck n ASN 125 N -5.26 2.75 -2.65 4.15 3.02 -1.26 -4.97 115.26 111.04 1jck n ASN 125 Ca 0.32 -3.35 -0.14 0.00 -0.03 0.00 0.00 54.58 51.39 1jck n ASN 125 Cb 1.07 -0.53 0.06 0.00 -0.61 0.00 0.00 39.78 39.77 1jck n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jck n GLY 126 N -1.04 -0.09 4.01 7.41 0.00 -0.03 -5.04 105.19 110.41 1jck n GLY 126 Ca 0.22 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1jck n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jck s ASN 127 N -3.56 5.33 -0.22 1.61 -0.87 -1.26 -5.04 114.94 110.94 1jck s ASN 127 Ca 0.22 -0.47 0.02 0.00 -1.57 0.00 0.00 52.86 51.05 1jck s ASN 127 Cb -0.10 -0.36 0.04 0.00 -0.02 0.00 0.00 41.25 40.81 1jck s ASN 127 CO 0.50 -1.08 -0.12 -0.76 -2.57 0.00 0.00 177.10 173.07 1jck s LEU 128 N -4.57 2.63 0.09 0.60 1.43 -1.26 -4.53 118.68 113.07 1jck s LEU 128 Ca 0.58 -1.01 -0.31 0.00 -1.03 0.00 0.00 54.13 52.36 1jck s LEU 128 Cb -0.08 -1.38 -0.09 0.00 0.03 0.00 0.00 46.19 44.66 1jck s LEU 128 CO 0.37 -0.13 1.63 -1.58 0.23 0.00 0.00 176.35 176.86 1jck s GLN 129 N 1.28 4.20 -0.01 1.70 2.00 0.15 -4.58 119.66 124.41 1jck s GLN 129 Ca -0.03 2.33 -0.16 0.00 -2.00 0.00 0.00 55.36 55.51 1jck s GLN 129 Cb -0.17 -3.48 -0.06 0.00 0.80 0.00 0.00 33.01 30.11 1jck s GLN 129 CO -0.08 -0.70 0.45 -0.80 -0.50 0.00 0.00 175.29 173.66 1jck s ASN 130 N 2.06 6.83 -0.18 6.67 0.02 -1.26 -1.82 114.94 127.26 1jck s ASN 130 Ca 0.73 0.98 0.01 0.00 -1.02 0.00 0.00 52.86 53.56 1jck s ASN 130 Cb -0.41 -2.28 0.02 0.00 0.02 0.00 0.00 41.25 38.61 1jck s ASN 130 CO 0.32 0.25 -0.20 -0.69 0.02 0.00 0.00 177.10 176.80 1jck s VAL 131 N -0.73 2.06 0.33 1.60 1.01 -0.43 -4.86 120.40 119.38 1jck s VAL 131 Ca 0.25 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 1jck s VAL 131 Cb -0.17 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 1jck s VAL 131 CO 0.14 0.54 1.06 -0.22 0.00 0.00 0.00 175.10 176.61 1jck s LEU 132 N 1.27 4.37 -0.17 3.92 2.96 -1.26 0.03 118.68 129.81 1jck s LEU 132 Ca 0.04 2.12 -0.01 0.00 -0.22 0.00 0.00 54.13 56.06 1jck s LEU 132 Cb -0.13 -3.88 0.05 0.00 0.50 0.00 0.00 46.19 42.72 1jck s LEU 132 CO -0.12 -0.26 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.99 1jck s ILE 133 N -1.40 0.90 -0.15 6.68 -1.09 0.92 -3.72 121.20 123.34 1jck s ILE 133 Ca 0.50 -0.56 -0.12 0.00 -2.23 0.00 0.00 60.65 58.25 1jck s ILE 133 Cb -0.27 -1.16 -0.05 0.00 -1.58 0.00 0.00 42.46 39.40 1jck s ILE 133 CO 0.34 0.05 0.23 -0.13 -1.23 0.00 0.00 174.94 174.19 1jck s ARG 134 N 1.71 4.06 -0.16 2.79 0.52 -0.86 0.17 118.95 127.19 1jck s ARG 134 Ca 0.00 -0.01 -0.06 0.00 -0.52 0.00 0.00 55.73 55.14 1jck s ARG 134 Cb -0.16 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1jck s ARG 134 CO -0.07 0.39 0.03 0.08 0.02 0.00 0.00 175.30 175.75 1jck s VAL 135 N 0.03 4.50 -0.26 3.52 1.01 0.19 -0.30 120.40 129.10 1jck s VAL 135 Ca 0.14 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1jck s VAL 135 Cb -0.13 -3.00 0.06 0.00 0.00 0.00 0.00 36.38 33.32 1jck s VAL 135 CO 0.03 0.49 -0.09 -0.31 0.00 0.00 0.00 175.10 175.22 1jck s TYR 136 N 0.23 3.17 -0.46 5.22 1.51 -0.11 -1.07 117.35 125.84 1jck s TYR 136 Ca 0.02 -2.29 -0.12 0.00 -1.01 0.00 0.00 57.07 53.66 1jck s TYR 136 Cb -0.13 -1.95 0.09 0.00 -0.11 0.00 0.00 41.96 39.85 1jck s TYR 136 CO 0.01 -0.87 0.35 -1.21 -1.11 0.00 0.00 175.55 172.72 1jck s GLU 137 N 1.13 2.77 -0.66 -0.62 2.02 -0.17 -0.19 118.70 122.99 1jck s GLU 137 Ca -0.07 -1.48 -0.01 0.00 0.02 0.00 0.00 54.97 53.43 1jck s GLU 137 Cb -0.20 -3.98 -0.01 0.00 0.10 0.00 0.00 34.13 30.04 1jck s GLU 137 CO -0.06 -1.05 0.56 0.09 0.02 0.00 0.00 175.26 174.82 1jck n ASN 138 N 5.06 -2.82 -3.33 -0.19 3.02 -0.22 -3.59 115.26 113.18 1jck n ASN 138 Ca -0.11 -0.37 -0.24 0.00 -0.03 0.00 0.00 54.58 53.83 1jck n ASN 138 Cb 0.43 -3.15 0.03 0.00 -0.61 0.00 0.00 39.78 36.48 1jck n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jck n LYS 139 N -2.69 -5.05 -3.68 3.52 5.02 -1.26 -4.98 118.16 109.03 1jck n LYS 139 Ca -0.13 0.74 -0.14 0.00 -2.02 0.00 0.00 58.31 56.76 1jck n LYS 139 Cb 0.59 -5.59 -0.14 0.00 -0.02 0.00 0.00 35.03 29.87 1jck n LYS 139 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1jck s ARG 140 N -6.02 0.13 -0.29 1.97 0.52 -1.24 -5.10 118.95 108.92 1jck s ARG 140 Ca 0.43 0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 55.99 1jck s ARG 140 Cb -0.20 -0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.13 1jck s ARG 140 CO 0.53 -0.26 1.78 1.21 0.02 0.00 0.00 175.30 178.58 1jck s ASN 141 N 2.08 6.00 -0.25 0.23 2.47 -1.26 -1.00 114.94 123.21 1jck s ASN 141 Ca -0.01 1.44 -0.08 0.00 0.42 0.00 0.00 52.86 54.64 1jck s ASN 141 Cb -0.12 -2.53 -0.16 0.00 -1.45 0.00 0.00 41.25 37.00 1jck s ASN 141 CO -0.08 -1.60 -0.20 0.35 -3.72 0.00 0.00 177.10 171.85 1jck n THR 142 N 7.17 1.53 -3.96 -5.21 -2.24 -0.23 -4.95 114.28 106.40 1jck n THR 142 Ca 0.22 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.46 1jck n THR 142 Cb 0.46 -1.70 -0.08 0.00 -2.10 0.00 0.00 70.33 66.92 1jck n THR 142 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1jck s ILE 143 N -2.51 0.14 0.06 2.28 1.01 -1.23 -5.04 121.20 115.92 1jck s ILE 143 Ca -0.35 -1.43 -0.04 0.00 0.00 0.00 0.00 60.65 58.83 1jck s ILE 143 Cb 0.11 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 1jck s ILE 143 CO 0.57 -0.63 0.04 -0.44 0.00 0.00 0.00 174.94 174.48 1jck s SER 144 N -2.92 0.35 0.15 3.58 0.01 -1.26 0.58 113.70 114.19 1jck s SER 144 Ca 0.10 -0.85 -0.25 0.00 1.31 0.00 0.00 55.95 56.26 1jck s SER 144 Cb 0.05 0.24 0.06 0.00 0.21 0.00 0.00 66.02 66.59 1jck s SER 144 CO -0.07 -0.63 0.82 0.72 0.41 0.00 0.00 173.24 174.50 1jck s PHE 145 N -3.77 -0.27 0.23 2.43 -0.71 0.13 -4.96 117.98 111.06 1jck s PHE 145 Ca 0.05 -0.02 0.10 0.00 -1.04 0.00 0.00 56.93 56.02 1jck s PHE 145 Cb 0.06 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.44 1jck s PHE 145 CO -0.10 -0.86 -0.08 -1.21 -1.34 0.00 0.00 175.22 171.63 1jck s GLU 146 N -3.48 2.08 -0.11 1.99 2.02 -1.25 0.31 118.70 120.26 1jck s GLU 146 Ca 0.08 -1.41 -0.01 0.00 0.02 0.00 0.00 54.97 53.65 1jck s GLU 146 Cb -0.02 -2.09 0.04 0.00 0.10 0.00 0.00 34.13 32.15 1jck s GLU 146 CO -0.02 0.39 -0.01 0.14 0.02 0.00 0.00 175.26 175.78 1jck s VAL 147 N -2.07 0.56 0.91 2.63 -7.23 0.10 -4.86 120.40 110.44 1jck s VAL 147 Ca 0.28 -0.14 -0.12 0.00 -1.81 0.00 0.00 61.98 60.19 1jck s VAL 147 Cb -0.07 -0.77 0.14 0.00 0.56 0.00 0.00 36.38 36.23 1jck s VAL 147 CO 0.17 0.17 1.09 -1.10 -0.31 0.00 0.00 175.10 175.12 1jck s GLN 148 N 1.88 1.15 -0.30 4.82 -0.21 -1.26 -1.32 119.66 124.43 1jck s GLN 148 Ca 0.03 0.81 -0.18 0.00 0.02 0.00 0.00 55.36 56.04 1jck s GLN 148 Cb -0.14 -1.80 0.21 0.00 1.00 0.00 0.00 33.01 32.29 1jck s GLN 148 CO -0.06 -2.31 1.32 -0.08 -2.12 0.00 0.00 175.29 172.03 1jck s THR 149 N -2.92 0.00 -0.85 -0.19 -1.32 -0.75 -4.90 115.64 104.70 1jck s THR 149 Ca 0.64 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.12 1jck s THR 149 Cb -0.18 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.83 1jck s THR 149 CO 0.57 0.00 0.59 -0.90 -2.21 0.00 0.00 174.62 172.68 1jck n ASP 150 N 2.70 1.36 -4.21 8.08 5.75 -1.26 0.33 116.55 129.30 1jck n ASP 150 Ca -0.15 -2.02 -0.22 0.00 -0.01 0.00 0.00 54.79 52.39 1jck n ASP 150 Cb 0.56 -0.50 -0.13 0.00 -1.03 0.00 0.00 41.12 40.02 1jck n ASP 150 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1jck s LYS 151 N -0.91 1.05 -0.01 0.11 1.02 -1.26 -3.61 119.74 116.13 1jck s LYS 151 Ca 0.01 -0.94 -0.17 0.00 0.02 0.00 0.00 55.97 54.89 1jck s LYS 151 Cb 0.01 -1.14 -0.33 0.00 -0.52 0.00 0.00 37.83 35.84 1jck s LYS 151 CO 0.00 0.27 0.89 0.87 -0.92 0.00 0.00 175.35 176.47 1jck h LYS 152 N 4.55 0.43 -4.64 1.68 1.57 -0.84 -3.42 116.57 115.90 1jck h LYS 152 Ca -0.42 -0.74 -0.69 0.00 -1.87 0.00 0.00 60.65 56.94 1jck h LYS 152 Cb 1.18 0.28 -0.34 0.00 0.08 0.00 0.00 32.23 33.43 1jck h LYS 152 CO 0.42 1.35 -0.63 0.45 -0.57 0.00 0.00 179.45 180.47 1jck s SER 153 N -7.33 5.07 0.28 0.86 0.15 -1.26 -0.77 113.70 110.70 1jck s SER 153 Ca -0.12 -1.64 0.03 0.00 0.70 0.00 0.00 55.95 54.92 1jck s SER 153 Cb 0.03 -1.77 0.03 0.00 -1.71 0.00 0.00 66.02 62.61 1jck s SER 153 CO 0.89 -0.39 0.27 1.33 1.20 0.00 0.00 173.24 176.54 1jck n VAL 154 N 4.60 0.00 -4.35 4.45 0.24 -0.39 -4.88 118.33 118.00 1jck n VAL 154 Ca -0.07 -1.04 -0.31 0.00 -2.04 0.00 0.00 64.34 60.88 1jck n VAL 154 Cb 0.42 -0.45 -0.10 0.00 -1.47 0.00 0.00 33.84 32.24 1jck n VAL 154 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1jck s THR 155 N -1.14 3.44 0.38 3.34 -4.23 -1.26 0.14 115.64 116.30 1jck s THR 155 Ca 0.21 -1.07 0.04 0.00 -1.18 0.00 0.00 61.69 59.69 1jck s THR 155 Cb -0.02 -2.55 0.26 0.00 1.34 0.00 0.00 72.50 71.53 1jck s THR 155 CO 0.13 0.23 2.03 0.00 -0.54 0.00 0.00 174.62 176.48 1jck h ALA 156 N 4.02 1.62 0.01 3.99 0.00 -1.70 -2.70 119.26 124.49 1jck h ALA 156 Ca -0.48 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.40 1jck h ALA 156 Cb 1.17 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1jck h ALA 156 CO 0.53 0.36 -0.31 0.37 0.00 0.00 0.00 179.25 180.19 1jck h GLN 157 N 0.73 -0.39 -0.85 0.00 4.15 -1.95 0.34 115.11 117.14 1jck h GLN 157 Ca 0.20 0.03 0.20 0.00 0.77 0.00 0.00 58.65 59.84 1jck h GLN 157 Cb -0.08 0.09 -0.16 0.00 0.21 0.00 0.00 27.48 27.54 1jck h GLN 157 CO -0.04 -0.26 -0.08 1.49 -1.93 0.00 0.00 178.83 178.01 1jck h GLU 158 N -0.40 0.04 -0.49 1.69 4.81 -1.74 0.39 114.58 118.88 1jck h GLU 158 Ca 0.01 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1jck h GLU 158 Cb 0.42 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1jck h GLU 158 CO -0.20 0.03 -0.11 -0.07 -0.73 0.00 0.00 179.01 177.92 1jck h LEU 159 N 0.04 0.95 -0.42 1.64 3.38 -1.17 -1.27 115.31 118.45 1jck h LEU 159 Ca 0.46 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1jck h LEU 159 Cb 0.80 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1jck h LEU 159 CO -0.82 1.09 0.17 -0.78 0.09 0.00 0.00 178.44 178.19 1jck h ASP 160 N 0.79 0.58 0.92 -0.43 3.58 0.25 1.64 116.42 123.75 1jck h ASP 160 Ca 0.12 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 1jck h ASP 160 Cb 0.67 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.58 1jck h ASP 160 CO 0.05 0.58 -0.45 0.40 -2.88 0.00 0.00 179.24 176.94 1jck h ILE 161 N 0.53 0.08 -0.69 2.25 2.04 -0.33 0.81 117.51 122.21 1jck h ILE 161 Ca 0.14 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.11 1jck h ILE 161 Cb 0.19 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 1jck h ILE 161 CO -0.01 0.00 0.46 0.11 0.00 0.00 0.00 178.15 178.71 1jck h LYS 162 N -1.25 0.48 0.29 2.37 1.57 -0.93 0.24 116.57 119.34 1jck h LYS 162 Ca -0.13 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1jck h LYS 162 Cb 0.96 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1jck h LYS 162 CO 0.20 0.32 -0.14 0.00 -0.57 0.00 0.00 179.45 179.26 1jck h ALA 163 N 1.66 -0.39 -0.41 3.86 0.00 0.27 -3.05 119.26 121.20 1jck h ALA 163 Ca 0.32 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1jck h ALA 163 Cb 0.59 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1jck h ALA 163 CO -0.10 -0.59 0.06 0.00 0.00 0.00 0.00 179.25 178.62 1jck h ARG 164 N -0.65 0.67 -0.35 0.00 3.08 0.60 -3.02 114.38 114.71 1jck h ARG 164 Ca -0.04 -0.18 0.07 0.00 0.07 0.00 0.00 59.98 59.90 1jck h ARG 164 Cb 0.46 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.34 1jck h ARG 164 CO 0.07 0.72 -0.35 -0.97 -1.07 0.00 0.00 179.97 178.37 1jck h ASN 165 N 0.52 -1.14 -0.66 7.04 -0.00 -0.65 0.19 115.58 120.89 1jck h ASN 165 Ca 0.12 0.19 0.14 0.00 -0.00 0.00 0.00 56.30 56.75 1jck h ASN 165 Cb 0.38 0.52 -0.12 0.00 -0.00 0.00 0.00 38.32 39.09 1jck h ASN 165 CO 0.01 -0.34 -0.09 0.15 -0.00 0.00 0.00 177.43 177.16 1jck h PHE 166 N -0.29 -0.22 -0.09 0.67 3.04 -1.44 -1.74 116.94 116.87 1jck h PHE 166 Ca 0.15 0.05 -0.08 0.00 3.98 0.00 0.00 57.97 62.08 1jck h PHE 166 Cb 0.55 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.25 1jck h PHE 166 CO -0.53 -0.24 -0.29 -0.07 -2.02 0.00 0.00 178.31 175.15 1jck h LEU 167 N 0.04 0.17 -0.79 0.59 3.38 -1.05 -1.83 115.31 115.82 1jck h LEU 167 Ca 0.33 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.30 1jck h LEU 167 Cb 0.53 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1jck h LEU 167 CO -0.63 0.46 0.49 0.40 0.09 0.00 0.00 178.44 179.25 1jck h ILE 168 N 0.15 1.06 0.07 1.22 2.04 -0.08 0.32 117.51 122.29 1jck h ILE 168 Ca 0.02 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 1jck h ILE 168 Cb 0.60 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1jck h ILE 168 CO 0.04 0.17 -0.56 0.78 0.00 0.00 0.00 178.15 178.58 1jck h ASN 169 N 0.91 0.37 0.21 1.72 4.21 -1.45 -2.42 115.58 119.13 1jck h ASN 169 Ca 0.33 -0.90 -0.28 0.00 1.21 0.00 0.00 56.30 56.67 1jck h ASN 169 Cb 0.11 -0.12 0.03 0.00 -1.12 0.00 0.00 38.32 37.23 1jck h ASN 169 CO -0.15 1.23 -1.24 0.11 -1.29 0.00 0.00 177.43 176.10 1jck h LYS 170 N -0.44 0.45 -0.05 0.81 1.79 -1.26 -3.39 116.57 114.47 1jck h LYS 170 Ca -0.09 -0.76 0.00 0.00 -2.18 0.00 0.00 60.65 57.62 1jck h LYS 170 Cb 1.38 0.28 0.00 0.00 -1.58 0.00 0.00 32.23 32.31 1jck h LYS 170 CO 0.11 1.36 0.00 1.63 -1.08 0.00 0.00 179.45 181.47 1jck n LYS 171 N -3.88 0.62 -3.78 3.15 4.76 0.94 -4.99 118.16 114.99 1jck n LYS 171 Ca -0.16 -1.15 -0.25 0.00 -2.87 0.00 0.00 58.31 53.88 1jck n LYS 171 Cb 1.00 -1.16 0.04 0.00 -1.84 0.00 0.00 35.03 33.06 1jck n LYS 171 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jck n ASN 172 N 0.42 -3.20 -0.32 4.39 3.02 -0.14 -4.83 115.26 114.60 1jck n ASN 172 Ca 0.05 -0.77 0.17 0.00 -0.03 0.00 0.00 54.58 54.00 1jck n ASN 172 Cb 0.23 -4.09 0.37 0.00 -0.61 0.00 0.00 39.78 35.68 1jck n ASN 172 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1jck h LEU 173 N -2.04 0.25 -7.67 3.41 5.85 -1.63 -3.35 115.31 110.14 1jck h LEU 173 Ca -0.59 0.19 -0.51 0.00 0.84 0.00 0.00 57.88 57.81 1jck h LEU 173 Cb 1.37 0.20 -0.37 0.00 0.37 0.00 0.00 40.66 42.22 1jck h LEU 173 CO 0.61 -0.13 -0.80 -0.31 -0.34 0.00 0.00 178.44 177.48 1jck s TYR 174 N -5.82 1.31 0.62 1.25 2.02 -1.26 -4.45 117.35 111.00 1jck s TYR 174 Ca -0.11 -0.61 -0.02 0.00 -0.37 0.00 0.00 57.07 55.95 1jck s TYR 174 Cb 0.28 -1.13 0.13 0.00 -0.40 0.00 0.00 41.96 40.83 1jck s TYR 174 CO 0.78 -0.47 0.84 0.39 -1.57 0.00 0.00 175.55 175.53 1jck n GLU 175 N 4.94 -0.15 0.06 -0.62 1.02 0.24 -4.92 120.64 121.21 1jck n GLU 175 Ca -0.12 -2.07 -0.06 0.00 -0.02 0.00 0.00 57.16 54.90 1jck n GLU 175 Cb 0.50 -0.63 0.12 0.00 -0.02 0.00 0.00 31.44 31.42 1jck n GLU 175 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1jck h PHE 176 N -0.75 0.42 0.00 -0.32 -1.00 -1.94 -3.27 116.94 110.08 1jck h PHE 176 Ca -0.28 -0.15 -0.00 0.00 2.81 0.00 0.00 57.97 60.35 1jck h PHE 176 Cb 0.97 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 40.45 1jck h PHE 176 CO 0.00 0.80 -1.23 0.09 -1.61 0.00 0.00 178.31 176.36 1jck n ASN 177 N -3.94 3.88 0.00 2.17 4.13 -1.26 0.93 115.26 121.17 1jck n ASN 177 Ca -0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1jck n ASN 177 Cb 0.58 1.20 0.00 0.00 -1.54 0.00 0.00 39.78 40.02 1jck n ASN 177 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1jck n SER 178 N -1.69 0.17 -3.56 6.41 3.41 -1.26 -3.42 113.62 113.68 1jck n SER 178 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.46 1jck n SER 178 Cb 0.15 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.04 1jck n SER 178 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1jck s SER 179 N 1.38 -0.51 0.46 4.04 0.15 -1.26 0.83 113.70 118.80 1jck s SER 179 Ca 0.00 0.61 0.26 0.00 0.70 0.00 0.00 55.95 57.52 1jck s SER 179 Cb 0.00 0.49 0.73 0.00 -1.71 0.00 0.00 66.02 65.53 1jck s SER 179 CO 0.00 -0.43 1.75 -0.65 1.20 0.00 0.00 173.24 175.11 1jck h PRO 180 N 2.96 0.00 -6.16 5.44 0.11 -1.78 -3.45 132.00 129.11 1jck h PRO 180 Ca -0.23 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.30 1jck h PRO 180 Cb 1.15 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1jck h PRO 180 CO 0.32 0.08 -0.30 0.71 -0.21 0.00 0.00 178.00 178.59 1jck s TYR 181 N -3.39 3.48 -0.09 0.65 2.02 -1.26 -4.53 117.35 114.23 1jck s TYR 181 Ca 0.04 0.58 -0.05 0.00 -0.37 0.00 0.00 57.07 57.27 1jck s TYR 181 Cb 0.07 -2.02 -0.27 0.00 -0.40 0.00 0.00 41.96 39.34 1jck s TYR 181 CO 0.63 0.44 0.48 1.49 -1.57 0.00 0.00 175.55 177.02 1jck h GLU 182 N 2.90 0.26 -4.60 -0.62 4.57 -0.58 -3.42 114.58 113.08 1jck h GLU 182 Ca -0.46 -0.44 -0.24 0.00 -1.18 0.00 0.00 59.36 57.04 1jck h GLU 182 Cb 1.17 0.16 -0.15 0.00 -0.16 0.00 0.00 28.75 29.77 1jck h GLU 182 CO 0.72 1.14 -0.64 0.95 -1.18 0.00 0.00 179.01 180.00 1jck s THR 183 N -2.57 0.28 -0.30 0.32 -4.23 -1.20 -1.54 115.64 106.40 1jck s THR 183 Ca -0.18 -1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 58.21 1jck s THR 183 Cb 0.07 -2.20 0.17 0.00 1.34 0.00 0.00 72.50 71.88 1jck s THR 183 CO 0.79 -0.34 1.15 -0.83 -0.54 0.00 0.00 174.62 174.85 1jck s GLY 184 N -3.13 -0.18 -0.04 3.99 0.00 -1.26 -2.15 107.32 104.54 1jck s GLY 184 Ca 0.28 3.01 0.07 0.00 0.00 0.00 0.00 44.72 48.07 1jck s GLY 184 CO 0.05 3.87 -0.24 -2.52 0.00 0.00 0.00 173.10 174.26 1jck s TYR 185 N 2.93 2.32 -0.47 1.90 1.13 -0.37 -0.24 117.35 124.56 1jck s TYR 185 Ca -0.06 -0.61 -0.15 0.00 -1.41 0.00 0.00 57.07 54.84 1jck s TYR 185 Cb -0.09 -1.52 0.07 0.00 -1.10 0.00 0.00 41.96 39.32 1jck s TYR 185 CO -0.09 -0.16 0.38 -1.50 -2.51 0.00 0.00 175.55 171.68 1jck s ILE 186 N -0.29 5.21 -0.10 -3.49 2.07 -0.10 -0.99 121.20 123.50 1jck s ILE 186 Ca 0.01 -1.05 -0.27 0.00 -1.41 0.00 0.00 60.65 57.94 1jck s ILE 186 Cb -0.12 -4.10 -0.02 0.00 0.13 0.00 0.00 42.46 38.35 1jck s ILE 186 CO 0.02 -0.56 0.86 -0.75 -1.91 0.00 0.00 174.94 172.61 1jck s LYS 187 N 1.64 4.40 -0.14 3.50 2.20 -0.14 -1.81 119.74 129.39 1jck s LYS 187 Ca 0.04 1.13 -0.06 0.00 -0.36 0.00 0.00 55.97 56.72 1jck s LYS 187 Cb -0.24 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 1jck s LYS 187 CO 0.07 -0.18 0.08 -0.06 -0.36 0.00 0.00 175.35 174.90 1jck s PHE 188 N 1.59 3.38 -0.07 4.03 0.08 0.95 -0.38 117.98 127.56 1jck s PHE 188 Ca 0.43 0.30 -0.02 0.00 0.12 0.00 0.00 56.93 57.75 1jck s PHE 188 Cb -0.18 -1.96 0.04 0.00 -0.57 0.00 0.00 43.02 40.34 1jck s PHE 188 CO 0.18 0.46 0.06 0.42 -0.10 0.00 0.00 175.22 176.24 1jck s ILE 189 N -0.46 -0.04 0.18 0.64 1.01 0.21 -1.21 121.20 121.53 1jck s ILE 189 Ca 0.10 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.02 1jck s ILE 189 Cb -0.12 -0.29 0.04 0.00 0.01 0.00 0.00 42.46 42.10 1jck s ILE 189 CO 0.02 0.10 0.25 -0.62 0.00 0.00 0.00 174.94 174.69 1jck n GLU 190 N 5.27 0.47 -0.23 2.79 1.02 -0.66 0.39 120.64 129.70 1jck n GLU 190 Ca -0.04 -0.70 -0.07 0.00 -0.02 0.00 0.00 57.16 56.33 1jck n GLU 190 Cb 0.50 -0.16 0.07 0.00 -0.02 0.00 0.00 31.44 31.83 1jck n GLU 190 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1jck h SER 191 N -0.14 1.02 -0.12 1.62 4.64 -1.90 -2.89 113.55 115.79 1jck h SER 191 Ca -0.08 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1jck h SER 191 Cb 0.31 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1jck h SER 191 CO 0.09 0.99 0.00 -0.46 -0.87 0.00 0.00 176.83 176.58 1jck n ASN 192 N -4.23 1.85 0.00 4.97 6.94 -1.26 -4.86 115.26 118.67 1jck n ASN 192 Ca 0.05 -2.17 0.00 0.00 -0.02 0.00 0.00 54.58 52.44 1jck n ASN 192 Cb 0.26 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.19 1jck n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jck n GLY 193 N 0.19 2.46 3.70 4.83 0.00 -1.09 -4.84 105.19 110.44 1jck n GLY 193 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 1jck n GLY 193 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jck n ASN 194 N 0.00 3.43 -4.09 1.61 5.15 -1.26 0.21 115.26 120.30 1jck n ASN 194 Ca 0.00 1.10 -0.25 0.00 -0.60 0.00 0.00 54.58 54.83 1jck n ASN 194 Cb 0.00 -1.50 -0.16 0.00 -0.53 0.00 0.00 39.78 37.59 1jck n ASN 194 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1jck s THR 195 N 0.70 1.27 -0.14 -0.44 -4.23 -1.26 -1.65 115.64 109.89 1jck s THR 195 Ca 0.74 -0.61 -0.06 0.00 -1.18 0.00 0.00 61.69 60.58 1jck s THR 195 Cb -0.59 -1.11 0.07 0.00 1.34 0.00 0.00 72.50 72.20 1jck s THR 195 CO 0.40 0.38 0.30 0.72 -0.54 0.00 0.00 174.62 175.87 1jck s PHE 196 N 0.20 -0.49 0.35 3.99 -0.71 -0.35 -1.18 117.98 119.80 1jck s PHE 196 Ca -0.06 1.06 0.08 0.00 -1.04 0.00 0.00 56.93 56.97 1jck s PHE 196 Cb -0.12 0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.71 1jck s PHE 196 CO 0.02 -0.35 0.10 1.67 -1.34 0.00 0.00 175.22 175.32 1jck s TRP 197 N 2.15 2.63 0.08 3.49 1.48 -1.26 -0.04 118.94 127.47 1jck s TRP 197 Ca -0.02 -0.43 0.03 0.00 -1.06 0.00 0.00 56.10 54.62 1jck s TRP 197 Cb -0.11 -1.62 -0.03 0.00 -1.16 0.00 0.00 33.47 30.54 1jck s TRP 197 CO -0.10 0.37 -0.09 0.71 -4.06 0.00 0.00 176.95 173.78 1jck s TYR 198 N -2.49 0.95 -0.28 1.66 2.02 -0.75 -4.94 117.35 113.53 1jck s TYR 198 Ca 0.37 -0.62 -0.08 0.00 -0.37 0.00 0.00 57.07 56.36 1jck s TYR 198 Cb -0.01 -0.54 -0.02 0.00 -0.40 0.00 0.00 41.96 41.00 1jck s TYR 198 CO 0.21 -0.03 0.11 0.34 -1.57 0.00 0.00 175.55 174.61 1jck s ASP 199 N -2.21 5.32 0.36 2.29 2.15 -1.26 -0.93 116.67 122.39 1jck s ASP 199 Ca 0.01 -0.39 0.18 0.00 0.43 0.00 0.00 52.55 52.78 1jck s ASP 199 Cb -0.05 -1.95 0.59 0.00 -0.30 0.00 0.00 42.92 41.21 1jck s ASP 199 CO -0.00 -0.12 1.69 0.24 -0.17 0.00 0.00 175.17 176.81 1jck h MET 200 N 8.28 0.00 -6.69 4.34 2.86 -1.00 -3.45 114.93 119.27 1jck h MET 200 Ca -0.35 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 56.79 1jck h MET 200 Cb 1.16 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.79 1jck h MET 200 CO 0.59 0.41 0.21 -1.64 1.06 0.00 0.00 176.91 177.55 1jck s MET 201 N -3.54 4.42 0.25 1.72 -1.94 -1.26 -5.01 119.30 113.94 1jck s MET 201 Ca 0.00 1.08 -0.30 0.00 -1.71 0.00 0.00 55.69 54.77 1jck s MET 201 Cb 0.11 -2.88 -0.09 0.00 2.01 0.00 0.00 34.83 33.97 1jck s MET 201 CO 0.70 0.37 1.21 -2.14 -0.01 0.00 0.00 175.02 175.15 1jck s PRO 202 N -1.93 4.49 0.17 2.03 0.02 -1.26 -4.78 135.00 133.75 1jck s PRO 202 Ca 0.45 1.96 -0.33 0.00 0.02 0.00 0.00 61.00 63.10 1jck s PRO 202 Cb -0.18 -3.18 -0.14 0.00 0.02 0.00 0.00 34.50 31.01 1jck s PRO 202 CO 0.23 -0.05 1.44 0.00 -0.33 0.00 0.00 177.00 178.28 1jck n ALA 203 N 1.77 0.61 -1.63 -1.55 0.00 -1.26 -4.64 120.51 113.80 1jck n ALA 203 Ca 0.02 0.45 -0.53 0.00 0.00 0.00 0.00 53.44 53.39 1jck n ALA 203 Cb 0.44 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 1jck n ALA 203 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jck n PRO 204 N 2.65 1.31 -3.65 0.00 -0.04 -1.26 -4.78 135.00 129.23 1jck n PRO 204 Ca 0.15 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1jck n PRO 204 Cb 0.27 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 1jck n PRO 204 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jck n GLY 205 N 3.15 -1.05 0.48 0.55 0.00 0.11 -4.90 105.19 103.52 1jck n GLY 205 Ca 0.21 -1.03 0.07 0.00 0.00 0.00 0.00 46.02 45.27 1jck n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jck n ASP 206 N 1.27 2.98 -3.98 1.61 5.75 -1.26 -0.11 116.55 122.82 1jck n ASP 206 Ca 0.00 -2.69 -0.08 0.00 -0.01 0.00 0.00 54.79 52.01 1jck n ASP 206 Cb 0.00 -0.37 -0.09 0.00 -1.03 0.00 0.00 41.12 39.63 1jck n ASP 206 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1jck s LYS 207 N -2.21 0.69 -0.24 0.11 -2.85 -1.26 -4.49 119.74 109.49 1jck s LYS 207 Ca 0.29 -1.04 -0.03 0.00 -1.00 0.00 0.00 55.97 54.19 1jck s LYS 207 Cb 0.23 0.26 0.08 0.00 -2.06 0.00 0.00 37.83 36.34 1jck s LYS 207 CO 0.07 -0.17 0.08 0.12 0.10 0.00 0.00 175.35 175.54 1jck s PHE 208 N -3.66 0.92 -0.88 1.78 5.36 -1.26 -4.87 117.98 115.38 1jck s PHE 208 Ca 0.04 -0.98 -0.18 0.00 -0.96 0.00 0.00 56.93 54.84 1jck s PHE 208 Cb 0.05 -1.11 0.14 0.00 -0.34 0.00 0.00 43.02 41.76 1jck s PHE 208 CO -0.09 -0.70 1.05 0.34 -1.46 0.00 0.00 175.22 174.36 1jck s ASP 209 N 1.89 6.59 0.32 6.13 -1.08 -1.26 -4.89 116.67 124.37 1jck s ASP 209 Ca 0.04 -2.01 0.10 0.00 -0.52 0.00 0.00 52.55 50.16 1jck s ASP 209 Cb -0.17 -2.37 0.90 0.00 -1.46 0.00 0.00 42.92 39.82 1jck s ASP 209 CO -0.18 -1.04 1.73 1.56 0.52 0.00 0.00 175.17 177.77 1jck h GLN 210 N 8.78 0.55 -0.04 4.34 4.20 -1.92 0.17 115.11 131.19 1jck h GLN 210 Ca 0.10 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1jck h GLN 210 Cb 1.03 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1jck h GLN 210 CO 1.07 0.36 -0.46 1.03 -0.67 0.00 0.00 178.83 180.17 1jck h SER 211 N 0.57 0.09 -0.04 1.46 0.87 -1.90 -2.13 113.55 112.46 1jck h SER 211 Ca 0.65 -0.04 -0.22 0.00 -1.23 0.00 0.00 61.79 60.94 1jck h SER 211 Cb 1.25 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 63.20 1jck h SER 211 CO -0.47 0.54 -0.80 0.50 -0.53 0.00 0.00 176.83 176.06 1jck h LYS 212 N 0.07 0.70 0.25 2.24 3.64 -1.13 -3.29 116.57 119.05 1jck h LYS 212 Ca 0.00 -0.60 -0.01 0.00 -1.27 0.00 0.00 60.65 58.77 1jck h LYS 212 Cb 0.84 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1jck h LYS 212 CO 0.06 1.21 -0.12 -0.92 -2.27 0.00 0.00 179.45 177.41 1jck h TYR 213 N 0.47 -0.31 0.00 1.91 3.20 -1.07 -3.20 116.97 117.98 1jck h TYR 213 Ca -0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1jck h TYR 213 Cb 1.43 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.80 1jck h TYR 213 CO 0.08 0.04 0.13 1.28 -1.64 0.00 0.00 178.16 178.05 1jck n LEU 214 N -5.07 0.02 0.16 2.82 4.77 -0.82 -1.44 117.00 117.44 1jck n LEU 214 Ca -0.09 0.38 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 1jck n LEU 214 Cb 0.26 -0.38 0.57 0.00 -2.33 0.00 0.00 43.42 41.53 1jck n LEU 214 CO 0.30 -0.39 0.87 0.24 -1.33 0.00 0.00 177.39 177.08 1jck h MET 215 N 0.00 0.00 0.00 3.23 2.86 -1.62 -2.37 114.93 117.03 1jck h MET 215 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jck h MET 215 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1jck h MET 215 CO 0.00 0.00 0.09 0.44 1.06 0.00 0.00 176.91 178.50 1jck n ILE 216 N -2.35 1.18 -0.99 -1.22 -5.35 -0.52 0.83 119.36 110.93 1jck n ILE 216 Ca 0.01 0.66 0.08 0.00 -0.27 0.00 0.00 62.75 63.22 1jck n ILE 216 Cb 0.17 -1.66 0.29 0.00 -1.74 0.00 0.00 39.64 36.70 1jck n ILE 216 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1jck n TYR 217 N -1.92 1.21 -0.06 4.28 4.01 -0.89 -4.68 117.16 119.11 1jck n TYR 217 Ca -0.01 -0.88 -0.05 0.00 -0.16 0.00 0.00 57.90 56.81 1jck n TYR 217 Cb 0.11 -0.37 0.16 0.00 -0.31 0.00 0.00 39.34 38.94 1jck n TYR 217 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1jck h LYS 218 N 2.23 0.68 0.00 -0.72 3.64 0.24 -2.99 116.57 119.64 1jck h LYS 218 Ca 0.01 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 1jck h LYS 218 Cb 1.58 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.34 1jck h LYS 218 CO 0.29 0.78 -0.23 0.38 -2.27 0.00 0.00 179.45 178.41 1jck h ASP 219 N 0.61 0.00 -1.48 4.20 3.04 -1.83 -0.43 116.42 120.53 1jck h ASP 219 Ca 0.11 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.82 1jck h ASP 219 Cb 0.57 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.88 1jck h ASP 219 CO 0.04 0.23 -0.12 -3.20 -2.04 0.00 0.00 179.24 174.15 1jck n ASN 220 N -3.96 -2.53 -4.66 4.15 4.05 -1.19 -4.78 115.26 106.34 1jck n ASN 220 Ca -0.02 -0.07 -0.42 0.00 0.45 0.00 0.00 54.58 54.52 1jck n ASN 220 Cb 0.31 -1.32 -0.03 0.00 1.23 0.00 0.00 39.78 39.97 1jck n ASN 220 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1jck s LYS 221 N -4.92 4.15 0.09 1.20 2.47 -1.26 -4.88 119.74 116.60 1jck s LYS 221 Ca 0.07 2.51 0.05 0.00 -1.56 0.00 0.00 55.97 57.05 1jck s LYS 221 Cb -0.03 -4.09 -0.04 0.00 -1.46 0.00 0.00 37.83 32.20 1jck s LYS 221 CO 0.09 -0.92 0.01 -1.64 0.16 0.00 0.00 175.35 173.05 1jck s MET 222 N 4.27 2.59 0.03 4.03 -1.94 -1.26 -1.87 119.30 125.15 1jck s MET 222 Ca 0.85 -0.83 0.01 0.00 -1.71 0.00 0.00 55.69 54.01 1jck s MET 222 Cb -0.41 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 33.85 1jck s MET 222 CO 0.39 0.54 -0.05 0.14 -0.01 0.00 0.00 175.02 176.02 1jck s VAL 223 N -1.35 0.31 -0.29 -6.03 -7.23 0.12 -4.86 120.40 101.08 1jck s VAL 223 Ca 0.26 -0.91 -0.29 0.00 -1.81 0.00 0.00 61.98 59.23 1jck s VAL 223 Cb -0.12 -0.41 -0.02 0.00 0.56 0.00 0.00 36.38 36.40 1jck s VAL 223 CO 0.19 -0.40 1.66 -0.62 -0.31 0.00 0.00 175.10 175.63 1jck s ASP 224 N -1.39 6.18 0.28 4.85 -1.08 -1.26 -1.26 116.67 123.00 1jck s ASP 224 Ca -0.12 1.40 0.03 0.00 -0.52 0.00 0.00 52.55 53.34 1jck s ASP 224 Cb -0.09 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.26 1jck s ASP 224 CO -0.00 -1.46 1.73 0.77 0.52 0.00 0.00 175.17 176.73 1jck h SER 225 N 11.56 0.48 0.41 -0.34 4.64 -1.21 -2.84 113.55 126.25 1jck h SER 225 Ca -0.33 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1jck h SER 225 Cb 1.15 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1jck h SER 225 CO 1.02 0.72 0.00 1.17 -0.87 0.00 0.00 176.83 178.88 1jck n LYS 226 N -4.13 0.05 0.00 4.77 4.81 -1.26 -3.67 118.16 118.73 1jck n LYS 226 Ca -0.00 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1jck n LYS 226 Cb 0.40 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1jck n LYS 226 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1jck n SER 227 N -1.71 0.14 -4.76 3.14 3.41 -1.21 -5.10 113.62 107.53 1jck n SER 227 Ca 0.02 -0.75 -0.40 0.00 -0.26 0.00 0.00 58.87 57.48 1jck n SER 227 Cb 0.14 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 1jck n SER 227 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jck s VAL 228 N -0.05 4.20 -0.15 -3.33 0.11 -1.08 -4.16 120.40 115.94 1jck s VAL 228 Ca 0.00 1.91 -0.03 0.00 -2.93 0.00 0.00 61.98 60.93 1jck s VAL 228 Cb 0.00 -4.24 -0.03 0.00 -1.53 0.00 0.00 36.38 30.59 1jck s VAL 228 CO 0.00 0.50 -0.05 -0.75 -3.33 0.00 0.00 175.10 171.47 1jck s LYS 229 N -1.19 3.64 -0.14 1.54 2.47 0.16 -4.71 119.74 121.51 1jck s LYS 229 Ca 0.39 -0.54 0.02 0.00 -1.56 0.00 0.00 55.97 54.29 1jck s LYS 229 Cb -0.25 -2.88 0.01 0.00 -1.46 0.00 0.00 37.83 33.25 1jck s LYS 229 CO 0.29 0.24 -0.22 0.42 0.16 0.00 0.00 175.35 176.25 1jck s ILE 230 N 0.36 2.03 -0.27 5.43 1.01 -1.24 -0.62 121.20 127.89 1jck s ILE 230 Ca -0.05 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1jck s ILE 230 Cb -0.14 -1.80 0.06 0.00 0.01 0.00 0.00 42.46 40.59 1jck s ILE 230 CO 0.03 0.54 -0.08 -1.61 0.00 0.00 0.00 174.94 173.83 1jck s GLU 231 N 0.86 2.20 -0.18 2.79 2.02 0.49 -2.03 118.70 124.86 1jck s GLU 231 Ca -0.06 -1.39 -0.26 0.00 0.02 0.00 0.00 54.97 53.28 1jck s GLU 231 Cb -0.15 -2.96 -0.01 0.00 0.10 0.00 0.00 34.13 31.10 1jck s GLU 231 CO -0.03 -0.61 0.85 0.08 0.02 0.00 0.00 175.26 175.57 1jck s VAL 232 N 1.10 4.86 -0.09 2.63 1.01 0.59 -0.97 120.40 129.54 1jck s VAL 232 Ca -0.07 1.67 0.02 0.00 0.00 0.00 0.00 61.98 63.60 1jck s VAL 232 Cb -0.20 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1jck s VAL 232 CO -0.05 0.00 -0.12 -1.00 0.00 0.00 0.00 175.10 173.93 1jck s HIS 233 N 2.27 2.79 0.16 5.22 3.76 -0.16 -0.93 115.29 128.40 1jck s HIS 233 Ca 0.39 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 55.00 1jck s HIS 233 Cb -0.16 -1.73 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 1jck s HIS 233 CO 0.12 0.06 0.01 -0.51 -0.85 0.00 0.00 174.74 173.57 1jck s LEU 234 N -0.30 2.05 0.01 0.89 1.43 0.74 -1.24 118.68 122.26 1jck s LEU 234 Ca 0.03 -1.18 -0.13 0.00 -1.03 0.00 0.00 54.13 51.82 1jck s LEU 234 Cb -0.13 0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.14 1jck s LEU 234 CO 0.03 -0.60 0.27 -0.89 0.23 0.00 0.00 176.35 175.38 1jck s THR 235 N -3.75 0.07 0.00 5.49 2.01 -0.92 -1.06 115.64 117.50 1jck s THR 235 Ca 0.24 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.70 1jck s THR 235 Cb 0.06 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.83 1jck s THR 235 CO 0.03 -0.34 -0.24 -0.89 -0.69 0.00 0.00 174.62 172.50 1jck s THR 236 N -1.82 1.88 0.15 -0.82 2.01 -1.26 0.19 115.64 115.96 1jck s THR 236 Ca -0.10 -1.10 0.07 0.00 0.31 0.00 0.00 61.69 60.86 1jck s THR 236 Cb -0.04 -1.58 0.07 0.00 0.01 0.00 0.00 72.50 70.96 1jck s THR 236 CO 0.01 0.45 1.02 2.29 -0.69 0.00 0.00 174.62 177.70 1jck n LYS 237 N 2.27 0.05 0.01 4.92 2.85 -1.26 -3.69 118.16 123.32 1jck n LYS 237 Ca -0.16 0.51 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 1jck n LYS 237 Cb 0.52 -2.17 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 1jck n LYS 237 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1jck n ASN 238 N -1.88 0.12 0.00 -5.58 5.15 -1.26 -5.12 115.26 106.69 1jck n ASN 238 Ca -0.00 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1jck n ASN 238 Cb 0.52 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 1jck n ASN 238 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27