#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jps s THR 6 N 0.00 1.38 -0.19 -0.44 -4.23 -1.26 -4.98 115.64 105.93 1jps s THR 6 Ca 0.00 -2.10 -0.05 0.00 -1.18 0.00 0.00 61.69 58.37 1jps s THR 6 Cb 0.00 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1jps s THR 6 CO 0.00 -0.40 -0.01 -0.69 -0.54 0.00 0.00 174.62 172.98 1jps s VAL 7 N -3.19 3.95 0.28 2.29 1.01 -1.26 -5.05 120.40 118.43 1jps s VAL 7 Ca 0.27 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 1jps s VAL 7 Cb 0.04 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.54 1jps s VAL 7 CO 0.09 0.45 1.36 0.00 0.00 0.00 0.00 175.10 176.99 1jps s ALA 8 N 0.81 3.55 0.59 5.51 0.00 -1.26 -4.80 121.76 126.15 1jps s ALA 8 Ca 0.00 1.26 -0.19 0.00 0.00 0.00 0.00 51.96 53.04 1jps s ALA 8 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1jps s ALA 8 CO 0.02 -0.67 1.21 0.00 0.00 0.00 0.00 175.76 176.32 1jps s ALA 9 N -0.54 2.55 0.21 0.00 0.00 -1.26 -4.76 121.76 117.97 1jps s ALA 9 Ca 0.54 1.01 -0.06 0.00 0.00 0.00 0.00 51.96 53.44 1jps s ALA 9 Cb -0.40 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 1jps s ALA 9 CO 0.47 -1.15 0.27 1.52 0.00 0.00 0.00 175.76 176.88 1jps s TYR 10 N -1.59 0.73 -1.31 0.00 1.13 0.03 -4.75 117.35 111.60 1jps s TYR 10 Ca 0.77 -1.04 -0.05 0.00 -1.41 0.00 0.00 57.07 55.34 1jps s TYR 10 Cb -0.30 -0.21 0.01 0.00 -1.10 0.00 0.00 41.96 40.36 1jps s TYR 10 CO 0.33 -0.77 1.08 -1.71 -2.51 0.00 0.00 175.55 171.97 1jps n ASN 11 N -0.29 -4.36 -4.68 -0.18 5.15 -1.26 -1.21 115.26 108.43 1jps n ASN 11 Ca -0.01 -0.60 -0.42 0.00 -0.60 0.00 0.00 54.58 52.94 1jps n ASN 11 Cb 0.64 -4.95 -0.03 0.00 -0.53 0.00 0.00 39.78 34.91 1jps n ASN 11 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jps s LEU 12 N -6.92 4.26 0.04 1.20 1.02 -1.26 -4.30 118.68 112.72 1jps s LEU 12 Ca 0.34 1.89 0.02 0.00 0.02 0.00 0.00 54.13 56.40 1jps s LEU 12 Cb -0.15 -3.55 -0.02 0.00 0.02 0.00 0.00 46.19 42.49 1jps s LEU 12 CO 0.74 -0.70 -0.08 0.42 0.02 0.00 0.00 176.35 176.74 1jps s THR 13 N 2.82 0.59 -0.21 5.49 -4.23 -0.23 -4.55 115.64 115.31 1jps s THR 13 Ca 0.59 -0.99 -0.13 0.00 -1.18 0.00 0.00 61.69 59.97 1jps s THR 13 Cb -0.26 -0.63 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 1jps s THR 13 CO 0.22 -0.30 0.29 0.26 -0.54 0.00 0.00 174.62 174.55 1jps s TRP 14 N -1.20 3.36 -0.28 3.99 0.52 -1.26 -0.59 118.94 123.47 1jps s TRP 14 Ca -0.07 0.45 -0.02 0.00 0.02 0.00 0.00 56.10 56.47 1jps s TRP 14 Cb -0.09 -2.40 0.04 0.00 -1.15 0.00 0.00 33.47 29.87 1jps s TRP 14 CO 0.01 0.05 -0.01 0.15 0.02 0.00 0.00 176.95 177.16 1jps s LYS 15 N 1.11 2.64 -0.06 4.98 -0.14 0.29 -4.99 119.74 123.57 1jps s LYS 15 Ca 0.14 -1.12 -0.02 0.00 -1.36 0.00 0.00 55.97 53.60 1jps s LYS 15 Cb -0.14 -3.14 0.04 0.00 -1.68 0.00 0.00 37.83 32.91 1jps s LYS 15 CO 0.06 -0.53 0.13 0.45 -0.76 0.00 0.00 175.35 174.70 1jps s SER 16 N 1.31 -0.09 -0.05 2.83 0.15 -1.26 -0.88 113.70 115.72 1jps s SER 16 Ca -0.03 0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 1jps s SER 16 Cb -0.18 0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.31 1jps s SER 16 CO -0.02 -0.14 0.02 -0.89 1.20 0.00 0.00 173.24 173.41 1jps s THR 17 N 1.12 0.16 -1.52 6.45 2.01 -0.82 -1.02 115.64 122.03 1jps s THR 17 Ca -0.09 0.20 -0.13 0.00 0.31 0.00 0.00 61.69 61.98 1jps s THR 17 Cb -0.11 -0.32 0.09 0.00 0.01 0.00 0.00 72.50 72.16 1jps s THR 17 CO -0.05 0.19 0.89 0.59 -0.69 0.00 0.00 174.62 175.55 1jps n ASN 18 N 4.82 -4.69 0.00 3.53 3.02 0.90 -1.65 115.26 121.19 1jps n ASN 18 Ca -0.13 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1jps n ASN 18 Cb 0.50 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 1jps n ASN 18 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1jps n PHE 19 N -4.56 0.00 -1.93 3.10 3.72 -1.26 -4.50 117.46 112.04 1jps n PHE 19 Ca 0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.00 1jps n PHE 19 Cb 0.53 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 1jps n PHE 19 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1jps s LYS 20 N 0.00 3.36 -0.14 -1.08 2.47 -0.66 -4.79 119.74 118.91 1jps s LYS 20 Ca 0.00 1.59 0.02 0.00 -1.56 0.00 0.00 55.97 56.02 1jps s LYS 20 Cb 0.00 -4.22 0.01 0.00 -1.46 0.00 0.00 37.83 32.17 1jps s LYS 20 CO 0.00 -1.83 -0.20 0.99 0.16 0.00 0.00 175.35 174.47 1jps s THR 21 N 6.95 1.90 -0.04 3.43 2.01 -1.26 -1.94 115.64 126.69 1jps s THR 21 Ca 0.83 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1jps s THR 21 Cb -0.25 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.57 1jps s THR 21 CO 0.34 0.52 -0.13 -0.63 -0.69 0.00 0.00 174.62 174.03 1jps s ILE 22 N 0.92 1.10 -0.08 1.82 1.01 -0.06 -0.50 121.20 125.40 1jps s ILE 22 Ca -0.06 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 59.92 1jps s ILE 22 Cb -0.15 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 1jps s ILE 22 CO -0.03 0.33 0.38 -0.22 0.00 0.00 0.00 174.94 175.40 1jps s LEU 23 N 0.18 4.36 0.24 2.97 2.96 -0.24 -0.55 118.68 128.60 1jps s LEU 23 Ca -0.05 0.77 0.11 0.00 -0.22 0.00 0.00 54.13 54.74 1jps s LEU 23 Cb -0.11 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 1jps s LEU 23 CO 0.02 0.19 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.43 1jps s GLU 24 N -0.22 1.55 0.27 1.98 2.02 0.24 -0.78 118.70 123.76 1jps s GLU 24 Ca 0.22 -1.67 -0.20 0.00 0.02 0.00 0.00 54.97 53.34 1jps s GLU 24 Cb -0.15 -1.62 0.06 0.00 0.10 0.00 0.00 34.13 32.53 1jps s GLU 24 CO 0.09 0.31 0.92 1.67 0.02 0.00 0.00 175.26 178.27 1jps s TRP 25 N -2.44 0.07 0.21 1.61 -2.14 -0.63 -1.07 118.94 114.55 1jps s TRP 25 Ca 0.26 -0.59 0.07 0.00 2.66 0.00 0.00 56.10 58.50 1jps s TRP 25 Cb -0.05 0.76 -0.05 0.00 -3.10 0.00 0.00 33.47 31.03 1jps s TRP 25 CO 0.12 -1.21 -0.11 -1.21 -2.66 0.00 0.00 176.95 171.88 1jps s GLU 26 N -2.36 1.31 0.51 3.25 2.02 -0.35 -4.81 118.70 118.28 1jps s GLU 26 Ca 0.18 -1.60 0.08 0.00 0.02 0.00 0.00 54.97 53.66 1jps s GLU 26 Cb -0.04 -0.99 0.05 0.00 0.10 0.00 0.00 34.13 33.25 1jps s GLU 26 CO 0.08 0.12 0.64 -1.25 0.02 0.00 0.00 175.26 174.86 1jps s PRO 27 N -3.69 2.48 0.10 0.39 0.04 -1.26 -0.79 135.00 132.27 1jps s PRO 27 Ca 0.23 -1.56 -0.31 0.00 0.04 0.00 0.00 61.00 59.40 1jps s PRO 27 Cb 0.01 -2.59 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 1jps s PRO 27 CO 0.07 -0.59 1.69 0.21 0.04 0.00 0.00 177.00 178.42 1jps s LYS 28 N -4.47 4.18 0.37 4.56 2.36 -1.26 -4.88 119.74 120.60 1jps s LYS 28 Ca 0.55 2.41 -0.28 0.00 -2.55 0.00 0.00 55.97 56.10 1jps s LYS 28 Cb -0.06 -3.51 -0.11 0.00 -1.05 0.00 0.00 37.83 33.09 1jps s LYS 28 CO 0.34 -0.74 1.48 -1.25 1.55 0.00 0.00 175.35 176.72 1jps s PRO 29 N 2.40 4.14 -0.26 4.03 0.04 -1.26 -5.02 135.00 139.06 1jps s PRO 29 Ca 0.75 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.33 1jps s PRO 29 Cb -0.42 -2.98 0.08 0.00 0.04 0.00 0.00 34.50 31.21 1jps s PRO 29 CO 0.33 -0.51 0.01 0.08 0.04 0.00 0.00 177.00 176.96 1jps s VAL 30 N -1.03 1.28 -1.44 -0.36 1.01 -1.26 -4.79 120.40 113.81 1jps s VAL 30 Ca 0.53 -1.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1jps s VAL 30 Cb -0.46 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.23 1jps s VAL 30 CO 0.61 -0.33 0.98 0.59 0.00 0.00 0.00 175.10 176.95 1jps n ASN 31 N 4.73 -4.42 -3.53 3.32 3.02 -1.26 -4.97 115.26 112.16 1jps n ASN 31 Ca -0.07 -0.73 -0.10 0.00 -0.03 0.00 0.00 54.58 53.65 1jps n ASN 31 Cb 0.44 -4.22 -0.02 0.00 -0.61 0.00 0.00 39.78 35.37 1jps n ASN 31 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jps s GLN 32 N -6.39 1.34 0.18 3.52 -2.07 -1.26 -2.29 119.66 112.69 1jps s GLN 32 Ca 0.51 -0.57 0.03 0.00 -1.82 0.00 0.00 55.36 53.51 1jps s GLN 32 Cb -0.25 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.20 1jps s GLN 32 CO 0.80 -0.60 -0.03 0.14 -1.32 0.00 0.00 175.29 174.28 1jps s VAL 33 N -3.72 0.95 0.13 3.63 -7.23 0.20 -4.72 120.40 109.64 1jps s VAL 33 Ca 0.04 -2.02 0.09 0.00 -1.81 0.00 0.00 61.98 58.28 1jps s VAL 33 Cb -0.02 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1jps s VAL 33 CO -0.08 -0.52 -0.23 -0.31 -0.31 0.00 0.00 175.10 173.65 1jps s TYR 34 N -3.48 2.01 -0.05 2.82 2.02 0.14 -0.31 117.35 120.51 1jps s TYR 34 Ca 0.23 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 1jps s TYR 34 Cb 0.05 -1.07 0.01 0.00 -0.40 0.00 0.00 41.96 40.54 1jps s TYR 34 CO 0.04 0.30 -0.12 0.99 -1.57 0.00 0.00 175.55 175.19 1jps s THR 35 N -1.30 1.03 -0.11 -0.71 2.01 -0.82 -0.80 115.64 114.94 1jps s THR 35 Ca 0.12 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.66 1jps s THR 35 Cb -0.09 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1jps s THR 35 CO 0.06 0.32 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.51 1jps s VAL 36 N 0.39 3.26 0.21 3.82 1.01 -0.76 -0.59 120.40 127.74 1jps s VAL 36 Ca -0.08 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.40 1jps s VAL 36 Cb -0.12 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1jps s VAL 36 CO 0.02 0.54 -0.19 -1.10 0.00 0.00 0.00 175.10 174.37 1jps s GLN 37 N 0.00 1.72 0.04 2.72 -0.21 -0.00 -1.09 119.66 122.84 1jps s GLN 37 Ca -0.03 -1.49 0.02 0.00 0.02 0.00 0.00 55.36 53.88 1jps s GLN 37 Cb -0.14 -1.93 -0.02 0.00 1.00 0.00 0.00 33.01 31.92 1jps s GLN 37 CO 0.04 0.40 -0.07 -1.50 -2.12 0.00 0.00 175.29 172.03 1jps s ILE 38 N -1.84 0.50 0.27 1.08 2.07 -0.37 -1.50 121.20 121.41 1jps s ILE 38 Ca 0.24 -1.11 -0.20 0.00 -1.41 0.00 0.00 60.65 58.17 1jps s ILE 38 Cb -0.08 -0.63 0.02 0.00 0.13 0.00 0.00 42.46 41.91 1jps s ILE 38 CO 0.12 -0.42 0.69 -0.94 -1.91 0.00 0.00 174.94 172.48 1jps s SER 39 N -1.65 -0.26 0.00 4.50 1.04 -0.41 -0.89 113.70 116.04 1jps s SER 39 Ca -0.09 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 55.76 1jps s SER 39 Cb -0.09 0.71 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 1jps s SER 39 CO -0.00 -1.32 0.37 0.35 0.98 0.00 0.00 173.24 173.62 1jps n THR 40 N -0.45 0.00 -2.10 2.02 -2.24 -1.26 -0.97 114.28 109.28 1jps n THR 40 Ca -0.04 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1jps n THR 40 Cb 0.59 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1jps n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jps n LYS 41 N -0.53 0.00 -3.61 -0.78 5.02 -1.26 -4.87 118.16 112.13 1jps n LYS 41 Ca 0.02 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.91 1jps n LYS 41 Cb 0.08 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.01 1jps n LYS 41 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1jps s SER 42 N 1.41 5.62 0.00 4.39 1.04 -1.26 -4.27 113.70 120.64 1jps s SER 42 Ca 0.00 -2.44 0.00 0.00 0.48 0.00 0.00 55.95 53.99 1jps s SER 42 Cb 0.00 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.16 1jps s SER 42 CO 0.00 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1jps n GLY 43 N 4.14 1.62 1.02 7.32 0.00 -1.26 -4.98 105.19 113.05 1jps n GLY 43 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1jps n GLY 43 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jps n ASP 44 N 0.00 3.58 -4.69 1.61 9.92 -1.26 -5.02 116.55 120.69 1jps n ASP 44 Ca 0.00 -2.14 -0.45 0.00 -0.53 0.00 0.00 54.79 51.68 1jps n ASP 44 Cb 0.00 -0.39 -0.03 0.00 -0.64 0.00 0.00 41.12 40.06 1jps n ASP 44 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1jps n TRP 45 N 0.89 2.43 -4.26 1.24 7.02 -1.26 -4.46 117.44 119.04 1jps n TRP 45 Ca 0.18 0.23 -0.20 0.00 -1.02 0.00 0.00 57.50 56.69 1jps n TRP 45 Cb 0.59 -2.57 -0.16 0.00 -2.42 0.00 0.00 31.31 26.75 1jps n TRP 45 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1jps s LYS 46 N 0.70 0.95 0.11 -0.99 2.20 -0.07 -4.93 119.74 117.71 1jps s LYS 46 Ca 0.75 -0.18 -0.27 0.00 -0.36 0.00 0.00 55.97 55.92 1jps s LYS 46 Cb -0.62 -0.90 -0.06 0.00 -1.51 0.00 0.00 37.83 34.74 1jps s LYS 46 CO 0.39 -0.03 0.83 -1.12 -0.36 0.00 0.00 175.35 175.06 1jps s SER 47 N 0.73 7.37 -0.01 1.43 0.01 -1.26 -1.24 113.70 120.73 1jps s SER 47 Ca -0.11 1.63 0.00 0.00 1.31 0.00 0.00 55.95 58.78 1jps s SER 47 Cb -0.13 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 1jps s SER 47 CO 0.01 0.06 -0.00 0.29 0.41 0.00 0.00 173.24 174.01 1jps n LYS 48 N 2.37 2.18 -4.06 12.44 4.76 -0.25 -4.95 118.16 130.65 1jps n LYS 48 Ca -0.02 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.10 1jps n LYS 48 Cb 0.49 -1.02 -0.15 0.00 -1.84 0.00 0.00 35.03 32.51 1jps n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jps s PHE 50 N 1.21 3.36 -1.08 0.00 0.08 -1.26 -1.83 117.98 118.46 1jps s PHE 50 Ca -0.04 0.41 -0.25 0.00 0.12 0.00 0.00 56.93 57.16 1jps s PHE 50 Cb -0.18 -2.36 0.04 0.00 -0.57 0.00 0.00 43.02 39.95 1jps s PHE 50 CO -0.07 0.07 0.48 0.66 -0.10 0.00 0.00 175.22 176.25 1jps n TYR 51 N 4.24 -1.13 -3.80 0.36 4.02 -0.64 -4.94 117.16 115.27 1jps n TYR 51 Ca -0.12 0.11 -0.23 0.00 -0.01 0.00 0.00 57.90 57.65 1jps n TYR 51 Cb 0.52 -2.33 -0.02 0.00 -0.02 0.00 0.00 39.34 37.49 1jps n TYR 51 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1jps s THR 52 N -3.83 5.23 -1.89 -0.72 -1.32 0.02 -4.69 115.64 108.44 1jps s THR 52 Ca 0.35 -0.75 0.22 0.00 -1.21 0.00 0.00 61.69 60.30 1jps s THR 52 Cb -0.20 -3.83 -0.03 0.00 -1.51 0.00 0.00 72.50 66.93 1jps s THR 52 CO 0.83 -0.33 1.05 0.35 -2.21 0.00 0.00 174.62 174.31 1jps n THR 53 N -1.28 0.00 -1.05 5.08 -2.24 -1.26 -0.69 114.28 112.83 1jps n THR 53 Ca -0.07 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 1jps n THR 53 Cb 0.56 1.23 0.13 0.00 -2.10 0.00 0.00 70.33 70.15 1jps n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jps s ASP 54 N -2.47 3.60 -0.25 3.42 1.01 -1.26 -4.44 116.67 116.28 1jps s ASP 54 Ca 0.17 1.81 0.10 0.00 0.71 0.00 0.00 52.55 55.34 1jps s ASP 54 Cb 0.17 -2.43 0.46 0.00 1.01 0.00 0.00 42.92 42.13 1jps s ASP 54 CO 0.58 -2.61 1.33 0.35 0.21 0.00 0.00 175.17 175.03 1jps n THR 55 N -3.89 2.38 -3.58 -1.27 -2.24 -1.26 -4.85 114.28 99.57 1jps n THR 55 Ca 0.09 -3.10 -0.14 0.00 -2.27 0.00 0.00 64.05 58.62 1jps n THR 55 Cb 0.53 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 1jps n THR 55 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1jps s GLU 56 N -3.27 1.03 -0.10 -0.78 -1.05 -1.26 -1.60 118.70 111.67 1jps s GLU 56 Ca 0.42 -0.21 -0.04 0.00 -0.15 0.00 0.00 54.97 54.98 1jps s GLU 56 Cb 0.39 0.47 0.05 0.00 -0.44 0.00 0.00 34.13 34.60 1jps s GLU 56 CO -0.04 -0.37 0.19 0.00 0.95 0.00 0.00 175.26 176.00 1jps s ASP 58 N 2.25 6.97 -0.14 0.00 -1.08 -1.26 -1.08 116.67 122.32 1jps s ASP 58 Ca 0.02 1.68 0.17 0.00 -0.52 0.00 0.00 52.55 53.89 1jps s ASP 58 Cb -0.12 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.19 1jps s ASP 58 CO -0.07 -0.74 1.28 0.18 0.52 0.00 0.00 175.17 176.34 1jps n LEU 59 N 6.46 3.09 -0.02 -1.34 4.77 0.34 -4.80 117.00 125.50 1jps n LEU 59 Ca 0.13 -2.97 -0.09 0.00 -0.03 0.00 0.00 56.01 53.06 1jps n LEU 59 Cb 0.45 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1jps n LEU 59 CO 0.55 0.69 0.77 0.74 -1.33 0.00 0.00 177.39 178.81 1jps h THR 60 N 0.94 0.63 -0.69 -5.08 2.02 -1.81 -2.20 112.91 106.71 1jps h THR 60 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 1jps h THR 60 Cb 1.18 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1jps h THR 60 CO 0.11 0.00 0.49 0.44 0.37 0.00 0.00 175.52 176.93 1jps h ASP 61 N -0.14 0.02 0.02 4.18 3.32 -1.92 -0.95 116.42 120.95 1jps h ASP 61 Ca 0.10 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1jps h ASP 61 Cb 0.29 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1jps h ASP 61 CO -0.25 0.01 -0.26 -0.33 -1.72 0.00 0.00 179.24 176.69 1jps h GLU 62 N 0.02 0.03 0.00 3.56 4.39 -1.79 -3.36 114.58 117.43 1jps h GLU 62 Ca 0.33 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.89 1jps h GLU 62 Cb 1.28 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1jps h GLU 62 CO -0.01 1.03 -0.41 -0.84 -1.16 0.00 0.00 179.01 177.62 1jps h ILE 63 N -0.93 1.22 0.00 3.13 -0.00 -0.98 -2.80 117.51 117.15 1jps h ILE 63 Ca -0.06 -1.42 0.00 0.00 -0.00 0.00 0.00 64.86 63.38 1jps h ILE 63 Cb 1.11 1.78 0.00 0.00 -0.00 0.00 0.00 36.82 39.71 1jps h ILE 63 CO -0.01 0.40 0.00 1.33 -0.00 0.00 0.00 178.15 179.87 1jps n VAL 64 N -3.96 0.83 0.25 0.16 0.24 -0.40 -2.15 118.33 113.31 1jps n VAL 64 Ca -0.02 0.19 0.10 0.00 -2.04 0.00 0.00 64.34 62.57 1jps n VAL 64 Cb 0.45 -1.01 0.67 0.00 -1.47 0.00 0.00 33.84 32.47 1jps n VAL 64 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1jps h LYS 65 N 0.00 0.00 -0.77 7.34 1.57 -1.64 -3.39 116.57 119.69 1jps h LYS 65 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1jps h LYS 65 Cb 0.35 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.46 1jps h LYS 65 CO 0.00 0.11 -0.31 0.34 -0.57 0.00 0.00 179.45 179.01 1jps s ASP 66 N -6.59 -1.23 0.13 0.86 2.15 -0.91 -5.04 116.67 106.03 1jps s ASP 66 Ca -0.04 -0.25 0.15 0.00 0.43 0.00 0.00 52.55 52.84 1jps s ASP 66 Cb 0.15 1.66 0.68 0.00 -0.30 0.00 0.00 42.92 45.10 1jps s ASP 66 CO 0.63 -0.18 1.46 1.33 -0.17 0.00 0.00 175.17 178.25 1jps n VAL 67 N 4.74 1.18 1.01 1.11 0.24 -1.15 -2.61 118.33 122.85 1jps n VAL 67 Ca 0.08 0.38 0.12 0.00 -2.04 0.00 0.00 64.34 62.88 1jps n VAL 67 Cb 0.57 -1.28 0.09 0.00 -1.47 0.00 0.00 33.84 31.75 1jps n VAL 67 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1jps n LYS 68 N -1.83 2.06 -2.31 7.34 5.02 -1.26 0.23 118.16 127.41 1jps n LYS 68 Ca 0.01 -1.70 -0.31 0.00 -2.02 0.00 0.00 58.31 54.30 1jps n LYS 68 Cb 0.13 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 1jps n LYS 68 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1jps s GLN 69 N -2.11 3.73 -0.24 1.97 2.00 -1.07 -4.93 119.66 119.01 1jps s GLN 69 Ca 0.26 0.69 -0.10 0.00 -2.00 0.00 0.00 55.36 54.21 1jps s GLN 69 Cb 0.20 -2.19 -0.05 0.00 0.80 0.00 0.00 33.01 31.77 1jps s GLN 69 CO 0.36 -0.33 0.16 0.99 -0.50 0.00 0.00 175.29 175.96 1jps s THR 70 N -2.81 5.32 0.01 -0.34 2.01 -1.26 -4.22 115.64 114.36 1jps s THR 70 Ca 0.55 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.72 1jps s THR 70 Cb -0.10 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1jps s THR 70 CO 0.42 0.35 0.07 -0.31 -0.69 0.00 0.00 174.62 174.45 1jps s TYR 71 N 1.05 3.23 0.03 4.92 1.51 0.92 -4.55 117.35 124.47 1jps s TYR 71 Ca 0.07 0.16 0.09 0.00 -1.01 0.00 0.00 57.07 56.38 1jps s TYR 71 Cb -0.14 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1jps s TYR 71 CO 0.04 0.53 -0.26 -0.51 -1.11 0.00 0.00 175.55 174.24 1jps s LEU 72 N -1.85 2.14 0.12 -1.29 1.43 -0.14 -1.27 118.68 117.82 1jps s LEU 72 Ca 0.24 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1jps s LEU 72 Cb -0.12 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1jps s LEU 72 CO 0.15 0.27 -0.12 0.00 0.23 0.00 0.00 176.35 176.88 1jps s ALA 73 N -0.76 1.31 -0.03 4.21 0.00 -1.26 -1.29 121.76 123.94 1jps s ALA 73 Ca 0.11 -1.28 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 1jps s ALA 73 Cb -0.10 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1jps s ALA 73 CO 0.01 0.00 0.08 -0.98 0.00 0.00 0.00 175.76 174.88 1jps s ARG 74 N -2.92 0.11 -0.20 0.00 1.70 -0.56 -0.11 118.95 116.98 1jps s ARG 74 Ca 0.09 0.08 -0.01 0.00 -0.47 0.00 0.00 55.73 55.41 1jps s ARG 74 Cb -0.03 0.05 0.01 0.00 -0.57 0.00 0.00 34.95 34.42 1jps s ARG 74 CO 0.01 -0.02 -0.14 0.08 -1.08 0.00 0.00 175.30 174.16 1jps s VAL 75 N -0.05 2.58 -0.03 4.99 1.01 -0.61 -0.82 120.40 127.47 1jps s VAL 75 Ca -0.01 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1jps s VAL 75 Cb -0.01 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1jps s VAL 75 CO 0.00 0.48 0.30 -0.36 0.00 0.00 0.00 175.10 175.52 1jps s PHE 76 N 1.36 3.65 -0.15 5.22 0.08 0.25 -1.83 117.98 126.56 1jps s PHE 76 Ca 0.05 0.76 -0.03 0.00 0.12 0.00 0.00 56.93 57.83 1jps s PHE 76 Cb -0.14 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 1jps s PHE 76 CO -0.09 0.66 -0.05 -1.12 -0.10 0.00 0.00 175.22 174.52 1jps s SER 77 N -1.21 4.70 0.06 1.36 0.01 0.66 -1.95 113.70 117.34 1jps s SER 77 Ca 0.22 -0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.39 1jps s SER 77 Cb -0.14 -1.75 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 1jps s SER 77 CO 0.11 0.17 -0.17 -0.31 0.41 0.00 0.00 173.24 173.46 1jps s TYR 78 N 0.33 1.45 0.36 2.43 2.02 0.57 -3.51 117.35 121.00 1jps s TYR 78 Ca -0.05 -0.39 -0.27 0.00 -0.37 0.00 0.00 57.07 55.99 1jps s TYR 78 Cb -0.14 -0.83 -0.09 0.00 -0.40 0.00 0.00 41.96 40.49 1jps s TYR 78 CO 0.03 0.09 1.18 -1.25 -1.57 0.00 0.00 175.55 174.03 1jps s PRO 79 N -1.44 4.27 1.14 -1.71 0.04 -1.26 0.61 135.00 136.65 1jps s PRO 79 Ca 0.03 1.90 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 1jps s PRO 79 Cb -0.09 -2.88 0.28 0.00 0.04 0.00 0.00 34.50 31.85 1jps s PRO 79 CO 0.02 -0.15 1.00 0.00 0.04 0.00 0.00 177.00 177.91 1jps n ALA 80 N 0.49 -3.21 -1.47 8.56 0.00 -0.97 -4.67 120.51 119.24 1jps n ALA 80 Ca 0.02 -1.50 -0.39 0.00 0.00 0.00 0.00 53.44 51.57 1jps n ALA 80 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 1jps n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jps n GLY 81 N -4.23 4.44 3.15 0.00 0.00 -1.26 -4.65 105.19 102.63 1jps n GLY 81 Ca 0.14 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.59 1jps n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jps s ASN 82 N 1.91 -1.07 0.23 1.61 2.20 -1.26 -5.21 114.94 113.36 1jps s ASN 82 Ca 0.65 0.40 0.00 0.00 -0.94 0.00 0.00 52.86 52.98 1jps s ASN 82 Cb 0.18 1.79 0.00 0.00 -2.00 0.00 0.00 41.25 41.22 1jps s ASN 82 CO -0.07 -0.20 0.00 0.52 -2.94 0.00 0.00 177.10 174.42 1jps n VAL 83 N 5.38 0.00 -0.36 3.54 0.31 -1.26 -5.11 118.33 120.84 1jps n VAL 83 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.20 1jps n VAL 83 Cb 0.54 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.44 1jps n VAL 83 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1jps n GLU 91 N 0.00 0.00 -2.40 5.55 2.13 -1.26 -5.14 120.64 119.52 1jps n GLU 91 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1jps n GLU 91 Cb 0.00 -0.32 -0.04 0.00 0.27 0.00 0.00 31.44 31.36 1jps n GLU 91 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1jps s PRO 92 N 0.73 4.52 0.29 5.31 0.04 -1.26 -5.02 135.00 139.60 1jps s PRO 92 Ca 0.23 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.98 1jps s PRO 92 Cb -0.32 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 30.90 1jps s PRO 92 CO 0.17 -0.04 0.67 -0.51 0.04 0.00 0.00 177.00 177.33 1jps s LEU 93 N -0.40 4.10 0.16 -3.56 1.43 -1.23 -4.91 118.68 114.26 1jps s LEU 93 Ca 0.51 1.16 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 1jps s LEU 93 Cb -0.32 -3.94 0.01 0.00 0.03 0.00 0.00 46.19 41.96 1jps s LEU 93 CO 0.37 -0.16 0.34 -0.72 0.23 0.00 0.00 176.35 176.41 1jps s TYR 94 N -1.93 0.16 -0.08 0.29 1.13 -1.26 -0.24 117.35 115.43 1jps s TYR 94 Ca 0.52 -0.53 -0.06 0.00 -1.41 0.00 0.00 57.07 55.59 1jps s TYR 94 Cb -0.11 0.09 0.03 0.00 -1.10 0.00 0.00 41.96 40.87 1jps s TYR 94 CO 0.19 -0.74 0.20 -2.00 -2.51 0.00 0.00 175.55 170.69 1jps s GLU 95 N -3.91 0.21 0.25 -3.49 2.56 -0.76 -4.93 118.70 108.63 1jps s GLU 95 Ca 0.12 0.32 -0.23 0.00 0.00 0.00 0.00 54.97 55.18 1jps s GLU 95 Cb 0.02 0.04 -0.09 0.00 2.00 0.00 0.00 34.13 36.11 1jps s GLU 95 CO -0.04 -0.06 0.81 -0.80 -0.56 0.00 0.00 175.26 174.61 1jps s ASN 96 N 0.41 7.23 0.72 -1.70 0.01 -1.26 -1.58 114.94 118.77 1jps s ASN 96 Ca -0.03 1.61 -0.03 0.00 -0.71 0.00 0.00 52.86 53.71 1jps s ASN 96 Cb -0.04 -2.49 0.11 0.00 0.41 0.00 0.00 41.25 39.24 1jps s ASN 96 CO -0.02 0.04 1.00 -0.94 -1.51 0.00 0.00 177.10 175.67 1jps s SER 97 N -1.54 4.42 0.71 -1.22 1.04 0.84 -4.96 113.70 112.99 1jps s SER 97 Ca 0.44 -0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.64 1jps s SER 97 Cb -0.19 -0.34 0.01 0.00 0.10 0.00 0.00 66.02 65.61 1jps s SER 97 CO 0.23 -1.81 1.06 -2.84 0.98 0.00 0.00 173.24 170.86 1jps s PRO 98 N -5.18 2.84 0.61 4.02 0.02 -1.26 -4.64 135.00 131.40 1jps s PRO 98 Ca 0.65 0.99 -0.16 0.00 0.02 0.00 0.00 61.00 62.50 1jps s PRO 98 Cb -0.07 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 1jps s PRO 98 CO 0.44 -1.18 1.09 -1.21 -0.33 0.00 0.00 177.00 175.82 1jps s GLU 99 N -5.01 3.12 -0.04 5.54 2.02 -1.26 -4.59 118.70 118.47 1jps s GLU 99 Ca 0.59 1.36 -0.02 0.00 0.02 0.00 0.00 54.97 56.92 1jps s GLU 99 Cb -0.15 -1.99 0.03 0.00 0.10 0.00 0.00 34.13 32.12 1jps s GLU 99 CO 0.55 -0.99 0.08 0.12 0.02 0.00 0.00 175.26 175.03 1jps s PHE 100 N -2.26 -0.01 -0.40 1.61 5.36 -0.39 -4.96 117.98 116.92 1jps s PHE 100 Ca 0.67 0.30 0.02 0.00 -0.96 0.00 0.00 56.93 56.95 1jps s PHE 100 Cb -0.19 -0.33 0.11 0.00 -0.34 0.00 0.00 43.02 42.27 1jps s PHE 100 CO 0.36 -0.17 0.14 0.99 -1.46 0.00 0.00 175.22 175.09 1jps s THR 101 N 1.75 2.66 0.20 0.12 2.01 -1.26 -0.06 115.64 121.07 1jps s THR 101 Ca -0.01 -2.44 -0.23 0.00 0.31 0.00 0.00 61.69 59.32 1jps s THR 101 Cb -0.12 -2.89 0.12 0.00 0.01 0.00 0.00 72.50 69.61 1jps s THR 101 CO -0.04 -0.67 1.55 -0.65 -0.69 0.00 0.00 174.62 174.12 1jps h PRO 102 N 7.54 -0.01 -0.99 4.92 0.11 -1.72 0.16 132.00 142.00 1jps h PRO 102 Ca -0.07 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.12 1jps h PRO 102 Cb 1.01 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.05 1jps h PRO 102 CO 0.60 -0.01 0.64 -0.92 -0.21 0.00 0.00 178.00 178.10 1jps h TYR 103 N -0.01 1.17 0.00 0.65 5.03 -0.56 0.12 116.97 123.37 1jps h TYR 103 Ca 0.27 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.61 1jps h TYR 103 Cb 0.53 -0.38 0.00 0.00 1.55 0.00 0.00 36.73 38.43 1jps h TYR 103 CO -0.92 0.59 -0.72 -0.07 -1.32 0.00 0.00 178.16 175.72 1jps h LEU 104 N 1.13 0.00 0.00 2.82 3.38 -1.62 -3.41 115.31 117.61 1jps h LEU 104 Ca 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1jps h LEU 104 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jps h LEU 104 CO -0.18 0.00 -0.63 -0.62 0.09 0.00 0.00 178.44 177.10 1jps n GLU 105 N -2.76 2.44 -1.85 1.13 1.02 -0.03 -4.94 120.64 115.64 1jps n GLU 105 Ca 0.01 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.76 1jps n GLU 105 Cb 0.54 -0.81 0.02 0.00 -0.02 0.00 0.00 31.44 31.17 1jps n GLU 105 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1jps s THR 106 N -1.60 2.20 0.37 2.62 -1.32 -0.00 -4.95 115.64 112.97 1jps s THR 106 Ca 0.00 0.17 -0.25 0.00 -1.21 0.00 0.00 61.69 60.40 1jps s THR 106 Cb 0.00 -3.09 -0.10 0.00 -1.51 0.00 0.00 72.50 67.80 1jps s THR 106 CO 0.00 0.01 0.99 0.20 -2.21 0.00 0.00 174.62 173.62 1jps s ASN 107 N -0.74 7.04 -0.10 8.08 0.01 -0.19 -4.79 114.94 124.26 1jps s ASN 107 Ca 0.64 1.91 -0.24 0.00 -0.71 0.00 0.00 52.86 54.46 1jps s ASN 107 Cb -0.41 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.64 1jps s ASN 107 CO 0.51 -0.29 0.73 -0.76 -1.51 0.00 0.00 177.10 175.78 1jps s LEU 108 N -2.45 4.27 0.75 0.60 1.43 -1.26 -0.07 118.68 121.95 1jps s LEU 108 Ca 0.55 1.16 -0.11 0.00 -1.03 0.00 0.00 54.13 54.70 1jps s LEU 108 Cb -0.19 -3.11 0.04 0.00 0.03 0.00 0.00 46.19 42.96 1jps s LEU 108 CO 0.24 -0.19 1.09 -0.83 0.23 0.00 0.00 176.35 176.90 1jps s GLY 109 N 0.91 1.63 0.14 -3.19 0.00 -1.26 -4.48 107.32 101.06 1jps s GLY 109 Ca 0.37 -0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.53 1jps s GLY 109 CO 0.17 0.14 1.76 1.62 0.00 0.00 0.00 173.10 176.79 1jps s GLN 110 N -5.25 4.15 0.88 2.90 0.74 -1.26 -4.71 119.66 117.11 1jps s GLN 110 Ca 0.59 2.55 -0.12 0.00 0.05 0.00 0.00 55.36 58.43 1jps s GLN 110 Cb -0.13 -3.45 0.12 0.00 1.10 0.00 0.00 33.01 30.65 1jps s GLN 110 CO 0.53 -0.79 1.11 -2.14 -0.55 0.00 0.00 175.29 173.45 1jps s PRO 111 N 2.28 1.39 -0.03 1.67 0.02 -1.26 -4.99 135.00 134.07 1jps s PRO 111 Ca 0.78 0.48 -0.00 0.00 0.02 0.00 0.00 61.00 62.28 1jps s PRO 111 Cb -0.46 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.24 1jps s PRO 111 CO 0.34 -2.07 0.03 0.99 -0.33 0.00 0.00 177.00 175.97 1jps s THR 112 N -3.17 -0.02 -0.06 0.99 2.01 -1.26 -4.28 115.64 109.85 1jps s THR 112 Ca 0.63 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.56 1jps s THR 112 Cb -0.15 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 1jps s THR 112 CO 0.54 0.12 1.16 -0.63 -0.69 0.00 0.00 174.62 175.12 1jps s ILE 113 N 1.28 4.35 0.05 1.82 1.01 -1.26 -1.12 121.20 127.33 1jps s ILE 113 Ca -0.06 1.67 -0.13 0.00 0.00 0.00 0.00 60.65 62.12 1jps s ILE 113 Cb -0.13 -4.07 -0.31 0.00 0.01 0.00 0.00 42.46 37.96 1jps s ILE 113 CO -0.03 0.01 1.08 -0.61 0.00 0.00 0.00 174.94 175.39 1jps h GLN 114 N 7.35 0.54 -2.29 2.79 4.15 -0.48 -3.45 115.11 123.72 1jps h GLN 114 Ca -0.34 -0.81 0.04 0.00 0.77 0.00 0.00 58.65 58.31 1jps h GLN 114 Cb 1.16 0.29 -0.16 0.00 0.21 0.00 0.00 27.48 28.97 1jps h GLN 114 CO 0.87 1.38 0.38 -1.54 -1.93 0.00 0.00 178.83 177.99 1jps s SER 115 N -7.45 -0.47 -0.39 -0.69 1.04 -1.12 -4.99 113.70 99.64 1jps s SER 115 Ca -0.08 0.19 0.11 0.00 0.48 0.00 0.00 55.95 56.65 1jps s SER 115 Cb 0.05 0.45 0.35 0.00 0.10 0.00 0.00 66.02 66.97 1jps s SER 115 CO 0.93 -0.66 0.83 2.22 0.98 0.00 0.00 173.24 177.54 1jps n PHE 116 N 0.08 -0.45 -2.30 5.02 1.16 -1.24 -0.71 117.46 119.02 1jps n PHE 116 Ca -0.13 -3.40 -0.42 0.00 -1.87 0.00 0.00 57.45 51.64 1jps n PHE 116 Cb 0.61 0.04 -0.03 0.00 -1.61 0.00 0.00 39.48 38.49 1jps n PHE 116 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1jps s GLU 117 N -1.86 4.39 -0.29 3.97 0.41 -0.94 -4.70 118.70 119.68 1jps s GLU 117 Ca 0.35 1.93 -0.10 0.00 -0.41 0.00 0.00 54.97 56.74 1jps s GLU 117 Cb 0.34 -3.28 -0.03 0.00 -1.78 0.00 0.00 34.13 29.38 1jps s GLU 117 CO -0.07 -0.31 0.17 -1.14 -0.49 0.00 0.00 175.26 173.42 1jps s GLN 118 N 0.82 3.66 -0.23 1.61 0.74 -1.26 -0.20 119.66 124.80 1jps s GLN 118 Ca 0.60 -0.51 0.01 0.00 0.05 0.00 0.00 55.36 55.51 1jps s GLN 118 Cb -0.33 -3.60 0.06 0.00 1.10 0.00 0.00 33.01 30.24 1jps s GLN 118 CO 0.31 -0.29 -0.07 0.08 -0.55 0.00 0.00 175.29 174.78 1jps s VAL 119 N 1.69 1.59 0.00 1.34 1.01 0.13 -4.99 120.40 121.17 1jps s VAL 119 Ca 0.06 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1jps s VAL 119 Cb -0.16 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1jps s VAL 119 CO 0.08 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1jps n GLY 120 N 4.66 1.35 1.87 4.51 0.00 -1.26 -2.82 105.19 113.51 1jps n GLY 120 Ca -0.13 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.45 1jps n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jps n THR 121 N 0.00 2.70 -4.13 2.61 -2.24 -1.26 -4.94 114.28 107.02 1jps n THR 121 Ca 0.00 -1.38 -0.15 0.00 -2.27 0.00 0.00 64.05 60.25 1jps n THR 121 Cb 0.00 -0.27 -0.12 0.00 -2.10 0.00 0.00 70.33 67.84 1jps n THR 121 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jps s LYS 122 N -2.71 0.64 -0.11 -0.78 1.02 -1.13 -1.54 119.74 115.14 1jps s LYS 122 Ca 0.54 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.80 1jps s LYS 122 Cb 0.41 -0.52 -0.00 0.00 -0.52 0.00 0.00 37.83 37.20 1jps s LYS 122 CO 0.16 0.11 -0.22 0.08 -0.92 0.00 0.00 175.35 174.56 1jps s VAL 123 N -1.18 2.23 -0.33 3.17 1.01 0.06 -0.69 120.40 124.67 1jps s VAL 123 Ca -0.06 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 1jps s VAL 123 Cb -0.09 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1jps s VAL 123 CO 0.01 0.55 0.26 0.21 0.00 0.00 0.00 175.10 176.13 1jps s ASN 124 N 0.37 6.08 -0.32 3.32 3.04 0.72 -1.52 114.94 126.63 1jps s ASN 124 Ca -0.17 -0.32 -0.10 0.00 0.04 0.00 0.00 52.86 52.31 1jps s ASN 124 Cb -0.18 -2.15 -0.01 0.00 -1.54 0.00 0.00 41.25 37.38 1jps s ASN 124 CO 0.08 -0.23 0.17 -0.69 -3.04 0.00 0.00 177.10 173.39 1jps s VAL 125 N 1.79 4.73 -0.15 -5.21 1.01 0.57 -2.21 120.40 120.94 1jps s VAL 125 Ca 0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1jps s VAL 125 Cb -0.17 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1jps s VAL 125 CO 0.11 0.02 -0.01 -0.89 0.00 0.00 0.00 175.10 174.33 1jps s THR 126 N 1.63 4.16 -0.08 3.92 2.01 0.11 -0.70 115.64 126.70 1jps s THR 126 Ca 0.05 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 61.62 1jps s THR 126 Cb -0.17 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 1jps s THR 126 CO 0.07 0.51 0.39 -0.69 -0.69 0.00 0.00 174.62 174.21 1jps s VAL 127 N 0.10 5.16 0.20 3.82 1.01 0.38 0.26 120.40 131.33 1jps s VAL 127 Ca 0.01 0.79 -0.31 0.00 0.00 0.00 0.00 61.98 62.47 1jps s VAL 127 Cb -0.13 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1jps s VAL 127 CO 0.02 0.46 1.44 -1.61 0.00 0.00 0.00 175.10 175.41 1jps s GLU 128 N -0.18 4.28 0.25 2.72 2.02 -0.28 -4.72 118.70 122.80 1jps s GLU 128 Ca 0.22 2.24 -0.30 0.00 0.02 0.00 0.00 54.97 57.16 1jps s GLU 128 Cb -0.15 -3.15 -0.09 0.00 0.10 0.00 0.00 34.13 30.83 1jps s GLU 128 CO 0.10 -0.43 0.95 0.34 0.02 0.00 0.00 175.26 176.23 1jps s ASP 129 N 0.64 7.60 -0.21 -0.19 -1.08 -1.26 -4.72 116.67 117.45 1jps s ASP 129 Ca 0.62 1.95 -0.09 0.00 -0.52 0.00 0.00 52.55 54.51 1jps s ASP 129 Cb -0.41 -2.61 -0.04 0.00 -1.46 0.00 0.00 42.92 38.40 1jps s ASP 129 CO 0.38 0.12 0.10 -0.70 0.52 0.00 0.00 175.17 175.59 1jps s GLU 130 N -1.29 4.00 0.37 4.34 2.56 -1.26 -4.96 118.70 122.46 1jps s GLU 130 Ca 0.42 -0.32 -0.24 0.00 0.00 0.00 0.00 54.97 54.83 1jps s GLU 130 Cb -0.25 -3.36 -0.10 0.00 2.00 0.00 0.00 34.13 32.42 1jps s GLU 130 CO 0.31 0.16 0.99 0.50 -0.56 0.00 0.00 175.26 176.66 1jps s ARG 131 N 0.73 4.34 0.50 4.30 3.52 -1.26 0.24 118.95 131.33 1jps s ARG 131 Ca 0.05 1.38 0.00 0.00 -0.13 0.00 0.00 55.73 57.03 1jps s ARG 131 Cb -0.13 -2.59 -0.00 0.00 -1.56 0.00 0.00 34.95 30.67 1jps s ARG 131 CO 0.02 0.04 0.00 0.25 -0.81 0.00 0.00 175.30 174.80 1jps n THR 132 N 0.09 0.00 1.30 4.11 -2.24 0.91 -4.84 114.28 113.61 1jps n THR 132 Ca 0.04 -2.38 0.13 0.00 -2.27 0.00 0.00 64.05 59.57 1jps n THR 132 Cb 0.50 0.48 0.44 0.00 -2.10 0.00 0.00 70.33 69.65 1jps n THR 132 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jps n LEU 133 N 0.00 0.94 -4.69 3.22 4.77 -1.26 -4.21 117.00 115.76 1jps n LEU 133 Ca -0.21 -0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.13 1jps n LEU 133 Cb 0.64 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1jps n LEU 133 CO 0.34 0.17 0.96 -0.69 -1.33 0.00 0.00 177.39 176.85 1jps s VAL 134 N -2.45 4.13 0.14 4.08 1.01 -1.26 -4.91 120.40 121.14 1jps s VAL 134 Ca 0.27 1.48 0.07 0.00 0.00 0.00 0.00 61.98 63.80 1jps s VAL 134 Cb 0.20 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1jps s VAL 134 CO 0.49 0.02 -0.16 0.00 0.00 0.00 0.00 175.10 175.46 1jps s ARG 135 N 1.98 1.14 -0.05 2.72 1.70 -1.26 0.49 118.95 125.66 1jps s ARG 135 Ca 0.58 -1.31 -0.14 0.00 -0.47 0.00 0.00 55.73 54.38 1jps s ARG 135 Cb -0.27 -1.10 0.03 0.00 -0.57 0.00 0.00 34.95 33.04 1jps s ARG 135 CO 0.24 0.22 0.33 0.50 -1.08 0.00 0.00 175.30 175.51 1jps s ARG 136 N -2.72 0.60 -1.52 3.89 3.52 0.51 -4.91 118.95 118.32 1jps s ARG 136 Ca 0.12 0.02 -0.05 0.00 -0.13 0.00 0.00 55.73 55.69 1jps s ARG 136 Cb -0.05 0.27 0.05 0.00 -1.56 0.00 0.00 34.95 33.65 1jps s ARG 136 CO 0.05 -0.14 0.45 0.09 -0.81 0.00 0.00 175.30 174.93 1jps n ASN 137 N 1.76 -0.92 -3.78 -2.12 3.02 -1.26 -1.30 115.26 110.66 1jps n ASN 137 Ca -0.19 -1.06 -0.23 0.00 -0.03 0.00 0.00 54.58 53.08 1jps n ASN 137 Cb 0.56 -2.72 0.02 0.00 -0.61 0.00 0.00 39.78 37.03 1jps n ASN 137 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jps n ASN 138 N -2.88 -1.08 -3.63 6.41 3.02 -1.26 -4.98 115.26 110.86 1jps n ASN 138 Ca -0.20 -0.87 -0.12 0.00 -0.03 0.00 0.00 54.58 53.36 1jps n ASN 138 Cb 0.63 -3.79 -0.07 0.00 -0.61 0.00 0.00 39.78 35.94 1jps n ASN 138 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jps s THR 139 N -3.73 0.00 0.46 3.41 2.01 -0.42 -5.15 115.64 112.22 1jps s THR 139 Ca 0.03 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.81 1jps s THR 139 Cb -0.02 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.41 1jps s THR 139 CO 0.83 0.00 1.09 -0.36 -0.69 0.00 0.00 174.62 175.49 1jps s PHE 140 N 0.33 3.00 0.03 4.92 0.40 -1.26 -0.36 117.98 125.03 1jps s PHE 140 Ca 0.01 1.58 -0.01 0.00 -0.60 0.00 0.00 56.93 57.91 1jps s PHE 140 Cb -0.05 -3.20 -0.04 0.00 0.51 0.00 0.00 43.02 40.24 1jps s PHE 140 CO -0.02 -1.06 0.17 -0.51 0.70 0.00 0.00 175.22 174.50 1jps s LEU 141 N -3.16 4.24 0.65 -0.37 1.43 0.18 -4.85 118.68 116.80 1jps s LEU 141 Ca 0.64 0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 53.92 1jps s LEU 141 Cb -0.22 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.34 1jps s LEU 141 CO 0.27 0.22 0.99 -0.94 0.23 0.00 0.00 176.35 177.12 1jps s SER 142 N -2.16 5.37 0.22 2.29 1.04 -1.26 -0.06 113.70 119.13 1jps s SER 142 Ca 0.30 0.80 -0.09 0.00 0.48 0.00 0.00 55.95 57.43 1jps s SER 142 Cb -0.13 -1.65 0.18 0.00 0.10 0.00 0.00 66.02 64.52 1jps s SER 142 CO 0.22 -1.27 1.89 0.25 0.98 0.00 0.00 173.24 175.30 1jps h LEU 143 N -0.43 0.93 -0.88 2.42 5.85 -0.53 -1.10 115.31 121.57 1jps h LEU 143 Ca -0.45 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1jps h LEU 143 Cb 1.27 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1jps h LEU 143 CO 0.62 0.67 0.44 -0.09 -0.34 0.00 0.00 178.44 179.74 1jps h ARG 144 N 1.10 1.25 -0.43 1.25 9.65 -1.93 -1.00 114.38 124.26 1jps h ARG 144 Ca 0.30 -0.17 0.02 0.00 -1.10 0.00 0.00 59.98 59.03 1jps h ARG 144 Cb -0.12 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 28.20 1jps h ARG 144 CO -0.07 0.94 0.24 -0.44 2.80 0.00 0.00 179.97 183.45 1jps h ASP 145 N 1.24 0.39 -0.07 -3.80 3.32 -1.60 0.16 116.42 116.06 1jps h ASP 145 Ca 0.30 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 1jps h ASP 145 Cb 0.09 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1jps h ASP 145 CO -0.04 0.28 -0.03 0.58 -1.72 0.00 0.00 179.24 178.31 1jps h VAL 146 N 0.49 1.32 0.00 -1.35 2.07 -0.88 -3.33 116.25 114.57 1jps h VAL 146 Ca 0.17 -1.02 -0.13 0.00 0.82 0.00 0.00 66.70 66.54 1jps h VAL 146 Cb 0.03 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1jps h VAL 146 CO -0.09 0.28 -0.98 -0.26 0.02 0.00 0.00 177.57 176.54 1jps h PHE 147 N -0.23 0.00 0.00 1.57 -1.00 -1.19 -3.50 116.94 112.60 1jps h PHE 147 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1jps h PHE 147 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1jps h PHE 147 CO 0.06 0.52 0.00 0.41 -1.61 0.00 0.00 178.31 177.69 1jps n GLY 148 N 1.31 3.21 0.00 -1.45 0.00 0.56 -1.67 105.19 107.14 1jps n GLY 148 Ca -0.04 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.82 1jps n GLY 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jps n LYS 149 N 13.98 0.34 0.12 1.61 4.76 -1.26 -2.93 118.16 134.78 1jps n LYS 149 Ca 0.00 0.07 0.12 0.00 -2.87 0.00 0.00 58.31 55.63 1jps n LYS 149 Cb 0.00 -1.50 0.48 0.00 -1.84 0.00 0.00 35.03 32.17 1jps n LYS 149 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jps n ASP 150 N -1.26 0.63 -4.54 4.39 8.00 -0.67 -4.65 116.55 118.44 1jps n ASP 150 Ca 0.11 0.65 -0.34 0.00 0.71 0.00 0.00 54.79 55.91 1jps n ASP 150 Cb 0.16 -0.79 -0.11 0.00 -0.02 0.00 0.00 41.12 40.37 1jps n ASP 150 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jps s LEU 151 N -4.38 3.51 0.07 0.64 2.96 -1.15 -4.04 118.68 116.28 1jps s LEU 151 Ca 0.05 -0.06 0.09 0.00 -0.22 0.00 0.00 54.13 53.99 1jps s LEU 151 Cb 0.09 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1jps s LEU 151 CO 0.40 0.14 -0.25 -0.63 -1.32 0.00 0.00 176.35 174.68 1jps s ILE 152 N 0.58 2.28 -0.13 6.68 1.01 -0.12 -4.63 121.20 126.87 1jps s ILE 152 Ca 0.01 -1.46 -0.01 0.00 0.00 0.00 0.00 60.65 59.19 1jps s ILE 152 Cb -0.14 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1jps s ILE 152 CO 0.02 0.29 -0.10 -0.31 0.00 0.00 0.00 174.94 174.83 1jps s TYR 153 N -0.89 2.87 -0.19 3.97 2.02 -0.52 -0.89 117.35 123.73 1jps s TYR 153 Ca 0.13 -0.49 -0.09 0.00 -0.37 0.00 0.00 57.07 56.25 1jps s TYR 153 Cb -0.10 -1.86 -0.05 0.00 -0.40 0.00 0.00 41.96 39.55 1jps s TYR 153 CO 0.04 -0.11 0.11 0.99 -1.57 0.00 0.00 175.55 175.00 1jps s THR 154 N 0.24 5.22 -0.10 -0.71 2.01 0.86 -1.93 115.64 121.23 1jps s THR 154 Ca -0.07 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 1jps s THR 154 Cb -0.15 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1jps s THR 154 CO 0.04 0.46 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.21 1jps s LEU 155 N 0.22 3.49 -0.09 4.42 2.96 0.40 -0.90 118.68 129.18 1jps s LEU 155 Ca 0.07 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1jps s LEU 155 Cb -0.11 -1.80 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1jps s LEU 155 CO -0.01 0.34 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.81 1jps s TYR 156 N -0.65 2.52 0.03 5.38 2.02 -0.45 -2.16 117.35 124.04 1jps s TYR 156 Ca 0.10 -0.99 -0.05 0.00 -0.37 0.00 0.00 57.07 55.77 1jps s TYR 156 Cb -0.12 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.75 1jps s TYR 156 CO 0.02 -0.39 0.08 1.52 -1.57 0.00 0.00 175.55 175.22 1jps s TYR 157 N 0.27 0.19 0.13 2.71 -0.85 -0.51 -1.98 117.35 117.31 1jps s TYR 157 Ca -0.17 -0.46 -0.23 0.00 -0.52 0.00 0.00 57.07 55.69 1jps s TYR 157 Cb -0.17 -0.14 0.07 0.00 0.38 0.00 0.00 41.96 42.09 1jps s TYR 157 CO 0.08 -0.33 0.59 1.67 -1.52 0.00 0.00 175.55 176.04 1jps s TRP 158 N -2.27 -0.52 -0.03 -3.49 -2.14 -0.82 -0.07 118.94 109.60 1jps s TRP 158 Ca -0.08 0.39 -0.30 0.00 2.66 0.00 0.00 56.10 58.77 1jps s TRP 158 Cb -0.03 0.51 -0.03 0.00 -3.10 0.00 0.00 33.47 30.82 1jps s TRP 158 CO -0.03 -0.81 1.05 0.15 -2.66 0.00 0.00 176.95 174.65 1jps s LYS 159 N -3.44 4.48 0.56 3.25 1.02 -1.26 -0.31 119.74 124.04 1jps s LYS 159 Ca -0.00 1.50 0.25 0.00 0.02 0.00 0.00 55.97 57.74 1jps s LYS 159 Cb -0.01 -3.48 1.52 0.00 -0.52 0.00 0.00 37.83 35.34 1jps s LYS 159 CO -0.10 -0.21 2.08 0.66 -0.92 0.00 0.00 175.35 176.86 1jps h SER 160 N 6.97 0.00 -1.60 2.83 4.64 -1.25 -1.71 113.55 123.42 1jps h SER 160 Ca -0.37 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.25 1jps h SER 160 Cb 1.19 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.03 1jps h SER 160 CO 0.80 0.00 0.90 -1.54 -0.87 0.00 0.00 176.83 176.13 1jps n SER 161 N -4.10 7.36 -3.63 4.97 3.41 -1.26 -4.93 113.62 115.45 1jps n SER 161 Ca 0.03 -3.70 0.04 0.00 -0.26 0.00 0.00 58.87 54.98 1jps n SER 161 Cb 0.36 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1jps n SER 161 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1jps s SER 162 N -0.94 -0.01 -0.10 4.04 0.01 -0.64 -5.12 113.70 110.93 1jps s SER 162 Ca 0.55 -0.03 -0.08 0.00 1.31 0.00 0.00 55.95 57.69 1jps s SER 162 Cb 0.44 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.67 1jps s SER 162 CO -0.30 -0.07 -0.16 -1.20 0.41 0.00 0.00 173.24 171.93 1jps n SER 163 N -0.58 1.17 -4.60 2.44 7.64 -1.26 -4.67 113.62 113.76 1jps n SER 163 Ca -0.07 0.36 -0.54 0.00 1.01 0.00 0.00 58.87 59.62 1jps n SER 163 Cb 0.63 -0.69 -0.07 0.00 -1.01 0.00 0.00 64.21 63.07 1jps n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jps n GLY 164 N 1.57 0.78 3.85 0.23 0.00 -1.26 -4.91 105.19 105.45 1jps n GLY 164 Ca -0.06 0.93 -0.32 0.00 0.00 0.00 0.00 46.02 46.57 1jps n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jps s LYS 165 N 4.63 3.85 0.29 1.61 1.02 -1.26 -4.67 119.74 125.20 1jps s LYS 165 Ca 1.02 0.91 0.09 0.00 0.02 0.00 0.00 55.97 58.02 1jps s LYS 165 Cb -0.97 -2.12 -0.06 0.00 -0.52 0.00 0.00 37.83 34.16 1jps s LYS 165 CO 0.59 -0.35 -0.12 0.15 -0.92 0.00 0.00 175.35 174.70 1jps s LYS 166 N -4.34 1.63 0.10 1.68 1.02 0.90 -4.97 119.74 115.77 1jps s LYS 166 Ca 0.58 -1.80 -0.06 0.00 0.02 0.00 0.00 55.97 54.71 1jps s LYS 166 Cb -0.10 -1.47 -0.02 0.00 -0.52 0.00 0.00 37.83 35.72 1jps s LYS 166 CO 0.37 0.16 0.15 -0.08 -0.92 0.00 0.00 175.35 175.03 1jps s THR 167 N -2.76 0.14 0.13 2.17 -1.32 -1.26 -1.43 115.64 111.31 1jps s THR 167 Ca 0.29 -1.47 -0.24 0.00 -1.21 0.00 0.00 61.69 59.06 1jps s THR 167 Cb 0.01 -1.60 0.07 0.00 -1.51 0.00 0.00 72.50 69.47 1jps s THR 167 CO 0.13 -0.61 0.61 0.00 -2.21 0.00 0.00 174.62 172.54 1jps s ALA 168 N -3.93 -1.62 0.17 11.08 0.00 -0.92 -5.00 121.76 121.54 1jps s ALA 168 Ca 0.11 0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.73 1jps s ALA 168 Cb 0.06 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 1jps s ALA 168 CO -0.06 -0.71 -0.09 -1.59 0.00 0.00 0.00 175.76 173.30 1jps s LYS 169 N -3.38 1.14 -0.01 0.00 -2.85 -1.26 -0.45 119.74 112.93 1jps s LYS 169 Ca -0.01 -1.51 -0.23 0.00 -1.00 0.00 0.00 55.97 53.23 1jps s LYS 169 Cb -0.01 -0.69 0.05 0.00 -2.06 0.00 0.00 37.83 35.12 1jps s LYS 169 CO -0.10 0.06 0.50 -0.08 0.10 0.00 0.00 175.35 175.84 1jps s THR 170 N -3.30 0.03 -0.21 3.79 -1.32 -0.81 -5.00 115.64 108.83 1jps s THR 170 Ca 0.19 -0.25 0.15 0.00 -1.21 0.00 0.00 61.69 60.58 1jps s THR 170 Cb 0.03 -0.87 0.66 0.00 -1.51 0.00 0.00 72.50 70.81 1jps s THR 170 CO 0.03 -0.14 1.57 -0.46 -2.21 0.00 0.00 174.62 173.41 1jps n ASN 171 N 0.87 4.68 0.00 8.08 0.23 -1.26 -1.43 115.26 126.42 1jps n ASN 171 Ca -0.20 -3.00 0.00 0.00 -0.53 0.00 0.00 54.58 50.85 1jps n ASN 171 Cb 0.58 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1jps n ASN 171 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1jps n THR 172 N -0.04 0.00 -0.24 5.53 -2.24 -1.26 -4.77 114.28 111.26 1jps n THR 172 Ca 0.25 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.09 1jps n THR 172 Cb 1.04 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 69.45 1jps n THR 172 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jps n ASN 173 N 0.00 3.11 -4.05 3.42 4.13 -1.26 -4.68 115.26 115.93 1jps n ASN 173 Ca 0.00 -2.04 -0.09 0.00 1.68 0.00 0.00 54.58 54.12 1jps n ASN 173 Cb 0.00 -0.28 -0.11 0.00 -1.54 0.00 0.00 39.78 37.85 1jps n ASN 173 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1jps s GLU 174 N -1.08 0.50 -0.06 3.52 -1.05 -1.26 -0.47 118.70 118.80 1jps s GLU 174 Ca 0.27 -0.89 0.04 0.00 -0.15 0.00 0.00 54.97 54.24 1jps s GLU 174 Cb 0.15 0.02 -0.00 0.00 -0.44 0.00 0.00 34.13 33.86 1jps s GLU 174 CO 0.18 -0.04 -0.18 -0.06 0.95 0.00 0.00 175.26 176.10 1jps s PHE 175 N -2.37 1.89 -0.30 4.83 0.40 0.12 -4.90 117.98 117.65 1jps s PHE 175 Ca -0.05 -0.62 -0.01 0.00 -0.60 0.00 0.00 56.93 55.65 1jps s PHE 175 Cb -0.03 -1.28 0.06 0.00 0.51 0.00 0.00 43.02 42.28 1jps s PHE 175 CO -0.04 -0.23 0.00 -1.17 0.70 0.00 0.00 175.22 174.48 1jps s LEU 176 N 0.18 3.97 0.08 -0.37 2.96 -1.26 -0.31 118.68 123.92 1jps s LEU 176 Ca -0.08 -1.38 0.10 0.00 -0.22 0.00 0.00 54.13 52.54 1jps s LEU 176 Cb -0.14 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1jps s LEU 176 CO 0.04 -0.28 -0.26 0.27 -1.32 0.00 0.00 176.35 174.80 1jps s ILE 177 N 1.21 2.13 0.17 6.68 -4.36 -0.57 -4.94 121.20 121.52 1jps s ILE 177 Ca -0.04 -1.52 -0.30 0.00 -0.26 0.00 0.00 60.65 58.53 1jps s ILE 177 Cb -0.20 -1.85 -0.07 0.00 1.25 0.00 0.00 42.46 41.58 1jps s ILE 177 CO -0.02 0.24 0.96 -1.81 0.24 0.00 0.00 174.94 174.54 1jps s ASP 178 N -1.56 7.55 0.08 4.36 1.01 -1.26 -0.76 116.67 126.08 1jps s ASP 178 Ca 0.12 1.88 0.04 0.00 0.71 0.00 0.00 52.55 55.30 1jps s ASP 178 Cb -0.10 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 1jps s ASP 178 CO 0.04 0.03 -0.11 0.68 0.21 0.00 0.00 175.17 176.01 1jps s VAL 179 N -0.55 0.94 0.18 -1.27 -7.23 -0.59 -4.93 120.40 106.96 1jps s VAL 179 Ca 0.44 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 1jps s VAL 179 Cb -0.25 -1.09 -0.08 0.00 0.56 0.00 0.00 36.38 35.53 1jps s VAL 179 CO 0.31 -0.38 1.13 -1.81 -0.31 0.00 0.00 175.10 174.04 1jps s ASP 180 N -1.97 7.21 0.50 4.85 1.01 -1.26 -4.73 116.67 122.27 1jps s ASP 180 Ca -0.01 2.14 -0.23 0.00 0.71 0.00 0.00 52.55 55.16 1jps s ASP 180 Cb -0.07 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.19 1jps s ASP 180 CO 0.01 -0.26 1.33 -0.75 0.21 0.00 0.00 175.17 175.70 1jps s LYS 181 N -0.38 3.45 -0.50 8.23 2.20 -1.26 -2.78 119.74 128.70 1jps s LYS 181 Ca 0.50 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 1jps s LYS 181 Cb -0.30 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 1jps s LYS 181 CO 0.36 -0.92 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 1jps n GLY 182 N 0.64 0.70 3.37 5.54 0.00 -1.26 -5.01 105.19 109.18 1jps n GLY 182 Ca 0.08 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1jps n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jps s GLU 183 N -1.86 2.46 -0.19 1.61 0.41 -1.12 -5.12 118.70 114.90 1jps s GLU 183 Ca 0.00 -0.81 -0.12 0.00 -0.41 0.00 0.00 54.97 53.63 1jps s GLU 183 Cb 0.00 -2.25 -0.05 0.00 -1.78 0.00 0.00 34.13 30.05 1jps s GLU 183 CO 0.00 0.52 0.20 -0.80 -0.49 0.00 0.00 175.26 174.69 1jps s ASN 184 N -0.50 6.29 0.21 -0.19 0.01 -1.26 -4.89 114.94 114.61 1jps s ASN 184 Ca 0.06 0.33 0.09 0.00 -0.71 0.00 0.00 52.86 52.64 1jps s ASN 184 Cb -0.11 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 1jps s ASN 184 CO 0.01 0.14 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.34 1jps s TYR 185 N 0.44 2.60 0.12 2.20 1.51 -1.26 -0.74 117.35 122.22 1jps s TYR 185 Ca 0.11 -0.24 0.07 0.00 -1.01 0.00 0.00 57.07 56.01 1jps s TYR 185 Cb -0.12 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 1jps s TYR 185 CO 0.00 0.55 -0.09 0.00 -1.11 0.00 0.00 175.55 174.90 1jps s PHE 187 N -1.34 0.35 -0.09 0.00 0.08 0.15 -1.95 117.98 115.19 1jps s PHE 187 Ca 0.22 -0.47 -0.17 0.00 0.12 0.00 0.00 56.93 56.63 1jps s PHE 187 Cb -0.11 -0.23 0.04 0.00 -0.57 0.00 0.00 43.02 42.15 1jps s PHE 187 CO 0.14 -0.15 0.42 -1.54 -0.10 0.00 0.00 175.22 173.99 1jps s SER 188 N -1.35 -0.37 0.24 1.36 1.04 -0.84 -0.82 113.70 112.96 1jps s SER 188 Ca -0.13 0.53 0.09 0.00 0.48 0.00 0.00 55.95 56.93 1jps s SER 188 Cb -0.09 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.59 1jps s SER 188 CO -0.01 -0.33 -0.16 0.68 0.98 0.00 0.00 173.24 174.40 1jps s VAL 189 N -0.59 2.04 -0.07 5.02 -7.23 -1.26 -1.34 120.40 116.97 1jps s VAL 189 Ca -0.07 -2.28 -0.05 0.00 -1.81 0.00 0.00 61.98 57.76 1jps s VAL 189 Cb -0.04 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.73 1jps s VAL 189 CO 0.03 -0.49 0.17 -1.58 -0.31 0.00 0.00 175.10 172.93 1jps s GLN 190 N -3.60 0.18 0.07 4.82 0.74 -0.08 -0.97 119.66 120.83 1jps s GLN 190 Ca 0.26 0.28 -0.09 0.00 0.05 0.00 0.00 55.36 55.86 1jps s GLN 190 Cb -0.02 0.04 -0.06 0.00 1.10 0.00 0.00 33.01 34.07 1jps s GLN 190 CO 0.11 -0.06 0.38 0.00 -0.55 0.00 0.00 175.29 175.17 1jps s ALA 191 N 0.36 3.74 -0.03 1.58 0.00 -1.26 -0.10 121.76 126.05 1jps s ALA 191 Ca -0.02 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.44 1jps s ALA 191 Cb -0.04 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.86 1jps s ALA 191 CO -0.02 0.58 0.21 0.54 0.00 0.00 0.00 175.76 177.07 1jps s VAL 192 N -1.40 0.05 -0.47 0.00 0.11 -0.07 -1.42 120.40 117.20 1jps s VAL 192 Ca 0.33 -0.41 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1jps s VAL 192 Cb -0.14 -0.44 0.12 0.00 -1.53 0.00 0.00 36.38 34.40 1jps s VAL 192 CO 0.18 -0.22 0.23 -0.63 -3.33 0.00 0.00 175.10 171.33 1jps s ILE 193 N -0.86 2.82 0.39 7.04 -1.09 -0.64 -0.95 121.20 127.91 1jps s ILE 193 Ca -0.09 -2.80 0.17 0.00 -2.23 0.00 0.00 60.65 55.70 1jps s ILE 193 Cb -0.05 -2.96 0.38 0.00 -1.58 0.00 0.00 42.46 38.25 1jps s ILE 193 CO 0.02 -0.74 1.76 -0.65 -1.23 0.00 0.00 174.94 174.10 1jps h PRO 194 N 7.13 0.41 0.00 2.79 0.11 -1.87 -1.98 132.00 138.59 1jps h PRO 194 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1jps h PRO 194 Cb 0.96 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1jps h PRO 194 CO 0.65 0.27 0.00 -1.13 -0.21 0.00 0.00 178.00 177.58 1jps n SER 195 N -4.67 0.20 -4.89 -2.05 3.41 -1.26 -4.81 113.62 99.55 1jps n SER 195 Ca 0.26 0.54 -0.29 0.00 -0.26 0.00 0.00 58.87 59.12 1jps n SER 195 Cb 0.87 -0.59 0.05 0.00 -0.26 0.00 0.00 64.21 64.27 1jps n SER 195 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jps s ARG 196 N -3.08 2.79 -0.02 4.33 0.52 -0.75 -5.01 118.95 117.73 1jps s ARG 196 Ca 0.07 0.35 0.07 0.00 -0.52 0.00 0.00 55.73 55.71 1jps s ARG 196 Cb 0.10 -2.06 -0.11 0.00 0.52 0.00 0.00 34.95 33.40 1jps s ARG 196 CO 0.33 -1.03 0.14 0.25 0.02 0.00 0.00 175.30 175.01 1jps n THR 197 N -2.96 0.11 -3.99 0.02 -2.24 -1.26 -4.92 114.28 99.04 1jps n THR 197 Ca 0.07 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 1jps n THR 197 Cb 0.58 0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.76 1jps n THR 197 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1jps s VAL 198 N -2.45 0.14 -1.44 2.28 -7.23 -1.26 -4.83 120.40 105.60 1jps s VAL 198 Ca -0.03 -1.12 -0.09 0.00 -1.81 0.00 0.00 61.98 58.92 1jps s VAL 198 Cb 0.04 -0.64 0.03 0.00 0.56 0.00 0.00 36.38 36.37 1jps s VAL 198 CO 0.32 -0.62 1.00 0.59 -0.31 0.00 0.00 175.10 176.07 1jps n ASN 199 N 1.14 -5.86 0.08 4.85 3.02 -1.26 -4.92 115.26 112.32 1jps n ASN 199 Ca -0.21 -0.54 -0.03 0.00 -0.03 0.00 0.00 54.58 53.77 1jps n ASN 199 Cb 0.57 -4.65 0.20 0.00 -0.61 0.00 0.00 39.78 35.28 1jps n ASN 199 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1jps h ARG 200 N -2.23 0.26 -5.76 3.52 3.08 -1.89 -3.44 114.38 107.93 1jps h ARG 200 Ca -0.56 -0.13 -0.49 0.00 0.07 0.00 0.00 59.98 58.87 1jps h ARG 200 Cb 1.37 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.26 1jps h ARG 200 CO 0.59 0.66 -0.75 0.15 -1.07 0.00 0.00 179.97 179.55 1jps s LYS 201 N -4.09 1.35 0.68 0.04 1.02 -1.26 -1.62 119.74 115.85 1jps s LYS 201 Ca -0.05 -1.55 0.01 0.00 0.02 0.00 0.00 55.97 54.41 1jps s LYS 201 Cb 0.13 -1.26 0.11 0.00 -0.52 0.00 0.00 37.83 36.29 1jps s LYS 201 CO 0.78 0.23 0.94 -1.54 -0.92 0.00 0.00 175.35 174.84 1jps s SER 202 N -3.11 4.57 0.75 2.83 1.04 -0.51 -4.70 113.70 114.57 1jps s SER 202 Ca 0.21 -0.39 -0.09 0.00 0.48 0.00 0.00 55.95 56.16 1jps s SER 202 Cb -0.03 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 66.07 1jps s SER 202 CO 0.08 -1.70 1.09 0.42 0.98 0.00 0.00 173.24 174.11 1jps s THR 203 N -3.03 2.24 0.47 2.02 -4.23 -1.26 -4.68 115.64 107.17 1jps s THR 203 Ca 0.64 -0.11 -0.22 0.00 -1.18 0.00 0.00 61.69 60.82 1jps s THR 203 Cb -0.06 -3.03 -0.08 0.00 1.34 0.00 0.00 72.50 70.67 1jps s THR 203 CO 0.43 -0.04 1.10 -1.81 -0.54 0.00 0.00 174.62 173.76 1jps s ASP 204 N -4.53 6.25 0.79 3.99 -0.00 -1.26 -4.33 116.67 117.58 1jps s ASP 204 Ca 0.61 2.14 -0.11 0.00 -0.00 0.00 0.00 52.55 55.18 1jps s ASP 204 Cb -0.11 -2.59 0.07 0.00 -0.00 0.00 0.00 42.92 40.29 1jps s ASP 204 CO 0.47 -0.85 1.09 -0.94 -0.00 0.00 0.00 175.17 174.94 1jps s SER 205 N -1.62 4.49 0.46 0.27 1.04 -0.15 -4.76 113.70 113.45 1jps s SER 205 Ca 0.65 1.40 -0.24 0.00 0.48 0.00 0.00 55.95 58.24 1jps s SER 205 Cb -0.24 -2.15 -0.07 0.00 0.10 0.00 0.00 66.02 63.67 1jps s SER 205 CO 0.28 -1.98 1.28 -2.84 0.98 0.00 0.00 173.24 170.97 1jps s PRO 206 N -5.10 3.67 0.12 4.02 0.02 -1.26 -4.62 135.00 131.85 1jps s PRO 206 Ca 0.61 2.08 -0.30 0.00 0.02 0.00 0.00 61.00 63.40 1jps s PRO 206 Cb -0.15 -2.52 -0.07 0.00 0.02 0.00 0.00 34.50 31.79 1jps s PRO 206 CO 0.55 -0.71 1.22 0.08 -0.33 0.00 0.00 177.00 177.80 1jps s VAL 207 N -1.35 3.75 -0.10 3.83 1.01 -1.26 -4.73 120.40 121.55 1jps s VAL 207 Ca 0.63 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.97 1jps s VAL 207 Cb -0.36 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1jps s VAL 207 CO 0.45 0.15 -0.16 -1.61 0.00 0.00 0.00 175.10 173.92 1jps s GLU 208 N 0.53 3.01 0.05 2.72 0.41 -0.00 -4.94 118.70 120.48 1jps s GLU 208 Ca 0.57 -0.74 0.07 0.00 -0.41 0.00 0.00 54.97 54.46 1jps s GLU 208 Cb -0.32 -2.46 -0.03 0.00 -1.78 0.00 0.00 34.13 29.55 1jps s GLU 208 CO 0.32 0.34 -0.20 0.00 -0.49 0.00 0.00 175.26 175.23 1jps s MET 210 N -1.22 4.26 0.00 0.00 -1.94 -0.04 -4.99 119.30 115.37 1jps s MET 210 Ca 0.06 2.18 0.00 0.00 -1.71 0.00 0.00 55.69 56.22 1jps s MET 210 Cb -0.09 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.38 1jps s MET 210 CO 0.02 -0.57 0.00 0.41 -0.01 0.00 0.00 175.02 174.87