#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrk s ILE 2 N 0.00 4.81 0.45 1.12 -1.16 -1.26 -2.40 121.20 122.77 1jrk s ILE 2 Ca 0.00 0.97 0.03 0.00 -0.51 0.00 0.00 60.65 61.15 1jrk s ILE 2 Cb 0.00 -3.79 -0.01 0.00 0.61 0.00 0.00 42.46 39.27 1jrk s ILE 2 CO 0.00 0.35 0.11 0.68 -2.81 0.00 0.00 174.94 173.27 1jrk s VAL 3 N -1.34 0.66 -0.08 4.00 -7.23 0.29 -2.32 120.40 114.37 1jrk s VAL 3 Ca 0.35 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.39 1jrk s VAL 3 Cb -0.17 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.59 1jrk s VAL 3 CO 0.19 0.00 0.32 0.28 -0.31 0.00 0.00 175.10 175.58 1jrk s THR 4 N -3.09 0.02 0.06 5.32 -1.32 -0.92 -0.86 115.64 114.84 1jrk s THR 4 Ca 0.16 -0.18 0.02 0.00 -1.21 0.00 0.00 61.69 60.48 1jrk s THR 4 Cb 0.01 -0.51 -0.03 0.00 -1.51 0.00 0.00 72.50 70.45 1jrk s THR 4 CO 0.11 -0.10 -0.06 -0.44 -2.21 0.00 0.00 174.62 171.92 1jrk s SER 5 N -0.38 0.89 -0.00 8.08 0.01 -0.86 -0.00 113.70 121.44 1jrk s SER 5 Ca -0.05 -0.77 0.08 0.00 1.31 0.00 0.00 55.95 56.52 1jrk s SER 5 Cb -0.03 0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.25 1jrk s SER 5 CO 0.02 -0.35 -0.25 -0.83 0.41 0.00 0.00 173.24 172.23 1jrk s GLY 6 N -2.27 1.27 -0.29 3.44 0.00 0.12 -0.92 107.32 108.68 1jrk s GLY 6 Ca -0.00 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.59 1jrk s GLY 6 CO -0.03 -0.97 -0.04 0.14 0.00 0.00 0.00 173.10 172.21 1jrk s VAL 7 N -0.65 2.57 -0.21 1.40 1.01 -0.28 -3.76 120.40 120.48 1jrk s VAL 7 Ca 0.10 -1.60 -0.03 0.00 0.00 0.00 0.00 61.98 60.45 1jrk s VAL 7 Cb -0.10 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1jrk s VAL 7 CO -0.00 -0.13 -0.05 -0.22 0.00 0.00 0.00 175.10 174.69 1jrk s LEU 8 N 1.15 2.86 -0.07 3.92 2.96 -1.26 -1.97 118.68 126.27 1jrk s LEU 8 Ca -0.05 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 1jrk s LEU 8 Cb -0.20 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 1jrk s LEU 8 CO -0.04 -0.00 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.06 1jrk s VAL 9 N 1.36 2.03 -0.17 1.68 1.01 -1.26 -1.29 120.40 123.76 1jrk s VAL 9 Ca 0.04 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 1jrk s VAL 9 Cb -0.14 -1.73 0.07 0.00 0.00 0.00 0.00 36.38 34.58 1jrk s VAL 9 CO -0.03 0.56 0.39 -1.61 0.00 0.00 0.00 175.10 174.41 1jrk s GLU 10 N 0.01 0.32 -1.24 2.72 2.02 0.05 -4.94 118.70 117.65 1jrk s GLU 10 Ca -0.09 0.88 -0.03 0.00 0.02 0.00 0.00 54.97 55.76 1jrk s GLU 10 Cb -0.15 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.20 1jrk s GLU 10 CO 0.05 -0.22 0.80 0.09 0.02 0.00 0.00 175.26 176.01 1jrk n ASN 11 N 4.90 -2.40 -2.89 -0.19 3.02 -1.26 -2.04 115.26 114.39 1jrk n ASN 11 Ca -0.15 -0.78 -0.22 0.00 -0.03 0.00 0.00 54.58 53.41 1jrk n ASN 11 Cb 0.52 -4.37 0.02 0.00 -0.61 0.00 0.00 39.78 35.34 1jrk n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jrk n GLY 12 N -1.45 -0.51 2.78 7.41 0.00 -1.26 -4.97 105.19 107.19 1jrk n GLY 12 Ca -0.25 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1jrk n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jrk s LYS 13 N -5.55 -0.04 -0.10 1.61 1.02 -0.87 -1.65 119.74 114.16 1jrk s LYS 13 Ca 0.23 0.19 -0.04 0.00 0.02 0.00 0.00 55.97 56.36 1jrk s LYS 13 Cb -0.10 -0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 36.93 1jrk s LYS 13 CO 0.28 -0.16 0.07 0.54 -0.92 0.00 0.00 175.35 175.15 1jrk s VAL 14 N 1.04 4.86 -0.29 3.17 0.11 0.65 -0.77 120.40 129.18 1jrk s VAL 14 Ca -0.09 -0.04 -0.24 0.00 -2.93 0.00 0.00 61.98 58.68 1jrk s VAL 14 Cb -0.13 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 1jrk s VAL 14 CO -0.03 0.61 0.83 -0.22 -3.33 0.00 0.00 175.10 172.96 1jrk s LEU 15 N -0.91 4.07 0.09 2.54 2.96 -0.41 0.88 118.68 127.90 1jrk s LEU 15 Ca 0.14 0.82 0.07 0.00 -0.22 0.00 0.00 54.13 54.94 1jrk s LEU 15 Cb -0.12 -3.16 -0.03 0.00 0.50 0.00 0.00 46.19 43.38 1jrk s LEU 15 CO 0.03 -0.61 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.51 1jrk s LEU 16 N 2.99 2.29 0.39 -0.68 1.43 0.04 -4.47 118.68 120.66 1jrk s LEU 16 Ca 0.34 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1jrk s LEU 16 Cb -0.14 -0.77 -0.06 0.00 0.03 0.00 0.00 46.19 45.25 1jrk s LEU 16 CO 0.11 0.02 0.10 0.68 0.23 0.00 0.00 176.35 177.49 1jrk s VAL 17 N -1.18 2.37 -0.06 -1.59 -7.23 -0.26 -0.95 120.40 111.51 1jrk s VAL 17 Ca 0.04 -1.82 -0.23 0.00 -1.81 0.00 0.00 61.98 58.15 1jrk s VAL 17 Cb -0.10 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1jrk s VAL 17 CO 0.03 -0.06 0.68 -0.54 -0.31 0.00 0.00 175.10 174.90 1jrk s LYS 18 N -3.82 4.43 0.19 4.82 1.02 -1.26 -1.01 119.74 124.11 1jrk s LYS 18 Ca 0.38 0.85 -0.33 0.00 0.02 0.00 0.00 55.97 56.90 1jrk s LYS 18 Cb 0.04 -3.44 -0.13 0.00 -0.52 0.00 0.00 37.83 33.78 1jrk s LYS 18 CO 0.21 0.10 1.61 1.58 -0.92 0.00 0.00 175.35 177.93 1jrk n HIS 19 N 3.66 2.46 -0.32 3.18 -0.00 0.17 -4.80 115.22 119.56 1jrk n HIS 19 Ca -0.02 0.21 0.19 0.00 -0.00 0.00 0.00 57.72 58.10 1jrk n HIS 19 Cb 0.51 -2.58 0.38 0.00 -0.00 0.00 0.00 29.99 28.31 1jrk n HIS 19 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1jrk h LYS 20 N 5.94 0.11 0.00 1.57 3.64 -1.92 -0.14 116.57 125.76 1jrk h LYS 20 Ca -0.44 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.80 1jrk h LYS 20 Cb 1.24 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1jrk h LYS 20 CO 0.89 0.07 -1.48 0.54 -2.27 0.00 0.00 179.45 177.21 1jrk n ARG 21 N -5.29 1.84 0.10 1.90 1.74 -1.26 -4.69 116.66 111.00 1jrk n ARG 21 Ca 0.27 0.02 0.13 0.00 -0.77 0.00 0.00 57.85 57.50 1jrk n ARG 21 Cb 0.89 -1.17 0.34 0.00 -1.02 0.00 0.00 32.46 31.49 1jrk n ARG 21 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1jrk h LEU 22 N 0.00 0.00 0.00 0.55 3.38 -1.93 -3.47 115.31 113.83 1jrk h LEU 22 Ca -0.19 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jrk h LEU 22 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1jrk h LEU 22 CO -0.01 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1jrk n GLY 23 N 1.30 0.82 3.53 0.83 0.00 -0.07 -4.88 105.19 106.73 1jrk n GLY 23 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1jrk n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jrk n VAL 24 N 0.00 2.52 -2.62 1.61 0.24 -1.26 -3.44 118.33 115.38 1jrk n VAL 24 Ca 0.00 -0.43 -0.41 0.00 -2.04 0.00 0.00 64.34 61.46 1jrk n VAL 24 Cb 0.00 -0.89 -0.04 0.00 -1.47 0.00 0.00 33.84 31.43 1jrk n VAL 24 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1jrk s TYR 25 N -1.78 3.72 0.11 6.34 1.51 -0.13 0.42 117.35 127.54 1jrk s TYR 25 Ca 0.70 1.71 -0.02 0.00 -1.01 0.00 0.00 57.07 58.45 1jrk s TYR 25 Cb -0.38 -3.16 -0.03 0.00 -0.11 0.00 0.00 41.96 38.28 1jrk s TYR 25 CO 0.53 -0.19 0.07 -1.50 -1.11 0.00 0.00 175.55 173.35 1jrk s ILE 26 N -0.31 0.13 0.51 2.71 2.07 -0.18 -0.24 121.20 125.90 1jrk s ILE 26 Ca 0.47 -1.78 -0.18 0.00 -1.41 0.00 0.00 60.65 57.76 1jrk s ILE 26 Cb -0.27 -1.84 -0.07 0.00 0.13 0.00 0.00 42.46 40.41 1jrk s ILE 26 CO 0.33 -0.60 1.00 -0.72 -1.91 0.00 0.00 174.94 173.04 1jrk s TYR 27 N -3.99 3.25 0.43 3.50 -0.85 -1.26 -1.10 117.35 117.33 1jrk s TYR 27 Ca 0.18 1.52 -0.25 0.00 -0.52 0.00 0.00 57.07 58.00 1jrk s TYR 27 Cb 0.07 -2.89 -0.08 0.00 0.38 0.00 0.00 41.96 39.44 1jrk s TYR 27 CO -0.02 -0.56 1.23 -2.14 -1.52 0.00 0.00 175.55 172.53 1jrk s PRO 28 N -3.80 3.87 0.00 -3.49 0.02 -1.25 -4.77 135.00 125.57 1jrk s PRO 28 Ca 0.62 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1jrk s PRO 28 Cb -0.12 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.80 1jrk s PRO 28 CO 0.28 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.84 1jrk n GLY 29 N 0.61 -1.17 0.00 0.52 0.00 -1.26 0.15 105.19 104.05 1jrk n GLY 29 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1jrk n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrk n GLY 30 N 0.00 1.49 3.59 -0.02 0.00 1.00 -4.85 105.19 106.39 1jrk n GLY 30 Ca 0.00 -1.04 -0.44 0.00 0.00 0.00 0.00 46.02 44.55 1jrk n GLY 30 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jrk n HIS 31 N -0.73 1.24 -3.15 1.61 8.25 -1.26 -2.17 115.22 119.00 1jrk n HIS 31 Ca 0.00 0.66 -0.41 0.00 -0.26 0.00 0.00 57.72 57.72 1jrk n HIS 31 Cb 0.00 -2.25 -0.07 0.00 1.12 0.00 0.00 29.99 28.80 1jrk n HIS 31 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jrk s VAL 32 N -1.12 4.98 0.39 1.59 1.01 -0.98 -4.87 120.40 121.40 1jrk s VAL 32 Ca 0.59 0.85 -0.26 0.00 0.00 0.00 0.00 61.98 63.16 1jrk s VAL 32 Cb -0.66 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 31.68 1jrk s VAL 32 CO 0.60 -0.07 1.24 -1.61 0.00 0.00 0.00 175.10 175.25 1jrk s GLU 33 N 2.51 4.09 0.33 2.72 8.01 -1.26 -4.89 118.70 130.21 1jrk s GLU 33 Ca 0.24 2.01 0.12 0.00 0.01 0.00 0.00 54.97 57.35 1jrk s GLU 33 Cb -0.15 -2.79 1.03 0.00 -4.31 0.00 0.00 34.13 27.91 1jrk s GLU 33 CO 0.11 -0.34 1.64 0.45 0.01 0.00 0.00 175.26 177.13 1jrk h HIS 34 N 2.82 0.73 0.00 1.61 3.86 -2.01 0.40 115.15 122.57 1jrk h HIS 34 Ca -0.49 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1jrk h HIS 34 Cb 1.24 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1jrk h HIS 34 CO 0.55 -0.25 0.00 0.27 0.86 0.00 0.00 177.93 179.36 1jrk n ASN 35 N -5.15 0.00 -4.21 2.45 6.94 -1.26 -4.89 115.26 109.14 1jrk n ASN 35 Ca 0.30 -0.09 -0.13 0.00 -0.02 0.00 0.00 54.58 54.64 1jrk n ASN 35 Cb 0.96 -0.26 -0.10 0.00 -2.36 0.00 0.00 39.78 38.02 1jrk n ASN 35 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1jrk s GLU 36 N -2.52 0.94 0.30 -3.83 -1.05 0.14 -5.14 118.70 107.55 1jrk s GLU 36 Ca 0.22 -1.35 -0.18 0.00 -0.15 0.00 0.00 54.97 53.51 1jrk s GLU 36 Cb 0.15 -0.47 -0.09 0.00 -0.44 0.00 0.00 34.13 33.28 1jrk s GLU 36 CO 0.32 0.05 0.77 0.95 0.95 0.00 0.00 175.26 178.30 1jrk s THR 37 N -3.22 4.59 0.44 1.83 -4.23 -1.26 -4.64 115.64 109.15 1jrk s THR 37 Ca 0.13 1.15 0.25 0.00 -1.18 0.00 0.00 61.69 62.03 1jrk s THR 37 Cb 0.02 -3.70 0.45 0.00 1.34 0.00 0.00 72.50 70.60 1jrk s THR 37 CO -0.01 -0.07 1.75 -0.65 -0.54 0.00 0.00 174.62 175.10 1jrk h PRO 38 N 2.61 0.24 -0.77 3.99 0.11 -1.98 0.43 132.00 136.64 1jrk h PRO 38 Ca -0.48 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1jrk h PRO 38 Cb 1.18 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1jrk h PRO 38 CO 0.65 0.16 0.35 0.82 -0.21 0.00 0.00 178.00 179.77 1jrk h ILE 39 N 0.25 1.25 -0.10 4.15 1.08 -1.99 -0.52 117.51 121.63 1jrk h ILE 39 Ca 0.64 -0.73 -0.21 0.00 -0.39 0.00 0.00 64.86 64.17 1jrk h ILE 39 Cb 1.89 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.95 1jrk h ILE 39 CO -0.26 0.31 -0.78 -0.33 -0.69 0.00 0.00 178.15 176.39 1jrk h GLU 40 N 1.09 0.58 -0.39 2.37 5.08 -0.60 -3.13 114.58 119.57 1jrk h GLU 40 Ca 0.26 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1jrk h GLU 40 Cb 0.16 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1jrk h GLU 40 CO -0.03 1.11 0.15 0.00 -1.00 0.00 0.00 179.01 179.24 1jrk h ALA 41 N 0.74 0.51 -0.63 3.43 0.00 -0.76 -1.73 119.26 120.82 1jrk h ALA 41 Ca -0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1jrk h ALA 41 Cb 1.39 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1jrk h ALA 41 CO 0.15 0.12 0.14 -0.24 0.00 0.00 0.00 179.25 179.42 1jrk h VAL 42 N 0.48 1.26 -0.57 0.00 3.04 -1.15 -0.52 116.25 118.79 1jrk h VAL 42 Ca 0.13 -0.95 -0.06 0.00 -1.01 0.00 0.00 66.70 64.81 1jrk h VAL 42 Cb 0.20 0.65 -0.02 0.00 -2.01 0.00 0.00 31.29 30.11 1jrk h VAL 42 CO -0.01 0.36 0.14 0.11 -1.01 0.00 0.00 177.57 177.15 1jrk h LYS 43 N 0.94 0.91 0.79 4.17 1.57 -1.48 -1.96 116.57 121.50 1jrk h LYS 43 Ca 0.20 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1jrk h LYS 43 Cb 0.38 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1jrk h LYS 43 CO 0.00 0.85 -0.38 -0.09 -0.57 0.00 0.00 179.45 179.26 1jrk h ARG 44 N 0.81 -1.02 -0.43 3.15 2.43 -0.99 -1.58 114.38 116.75 1jrk h ARG 44 Ca 0.18 0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.48 1jrk h ARG 44 Cb 0.35 0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 1jrk h ARG 44 CO 0.00 -0.67 0.12 0.93 -1.51 0.00 0.00 179.97 178.85 1jrk h GLU 45 N -1.13 0.27 -0.52 0.20 4.39 -1.12 0.87 114.58 117.54 1jrk h GLU 45 Ca -0.11 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.62 1jrk h GLU 45 Cb 0.82 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.37 1jrk h GLU 45 CO 0.18 0.18 0.28 0.35 -1.16 0.00 0.00 179.01 178.84 1jrk h PHE 46 N 0.27 0.52 0.08 4.33 3.57 -1.38 0.49 116.94 124.82 1jrk h PHE 46 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1jrk h PHE 46 Cb 0.22 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1jrk h PHE 46 CO -0.18 0.27 -0.18 1.49 -2.23 0.00 0.00 178.31 177.49 1jrk h GLU 47 N 0.55 -0.27 -0.25 1.11 4.57 -0.60 0.16 114.58 119.85 1jrk h GLU 47 Ca 0.23 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.48 1jrk h GLU 47 Cb 0.10 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.69 1jrk h GLU 47 CO -0.14 -0.18 -0.18 0.93 -1.18 0.00 0.00 179.01 178.26 1jrk h GLU 48 N -0.28 -0.16 0.00 1.92 5.08 -0.43 0.19 114.58 120.89 1jrk h GLU 48 Ca -0.01 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1jrk h GLU 48 Cb 0.27 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1jrk h GLU 48 CO -0.07 -0.11 -0.28 0.93 -1.00 0.00 0.00 179.01 178.48 1jrk h GLU 49 N -0.17 0.00 0.00 2.33 5.08 0.09 -3.37 114.58 118.54 1jrk h GLU 49 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1jrk h GLU 49 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1jrk h GLU 49 CO -0.35 0.28 -0.71 0.25 -1.00 0.00 0.00 179.01 177.48 1jrk n THR 50 N -3.64 0.00 0.00 1.13 -2.24 0.53 -4.54 114.28 105.52 1jrk n THR 50 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1jrk n THR 50 Cb 0.40 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1jrk n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jrk n GLY 51 N 1.96 1.78 3.82 3.38 0.00 0.66 -0.08 105.19 116.70 1jrk n GLY 51 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1jrk n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jrk s ILE 52 N -2.33 4.69 -0.20 -0.61 1.01 -1.24 -1.48 121.20 121.03 1jrk s ILE 52 Ca 0.00 1.18 -0.11 0.00 0.00 0.00 0.00 60.65 61.73 1jrk s ILE 52 Cb 0.00 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1jrk s ILE 52 CO 0.00 0.38 0.15 -0.69 0.00 0.00 0.00 174.94 174.78 1jrk s VAL 53 N -1.32 5.39 0.16 2.92 1.01 0.59 -3.63 120.40 125.53 1jrk s VAL 53 Ca 0.36 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.63 1jrk s VAL 53 Cb -0.18 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1jrk s VAL 53 CO 0.20 0.42 -0.12 0.68 0.00 0.00 0.00 175.10 176.29 1jrk s VAL 54 N 0.44 1.34 -0.16 2.92 -7.23 -1.26 -0.71 120.40 115.74 1jrk s VAL 54 Ca 0.09 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1jrk s VAL 54 Cb -0.11 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 34.95 1jrk s VAL 54 CO -0.01 -0.69 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.20 1jrk s GLU 55 N -3.67 2.81 0.48 4.82 2.56 0.45 -4.75 118.70 121.39 1jrk s GLU 55 Ca 0.18 -0.77 -0.24 0.00 0.00 0.00 0.00 54.97 54.14 1jrk s GLU 55 Cb 0.01 -2.39 -0.07 0.00 2.00 0.00 0.00 34.13 33.68 1jrk s GLU 55 CO 0.02 -0.14 1.42 -2.14 -0.56 0.00 0.00 175.26 173.86 1jrk s PRO 56 N 1.15 3.51 0.04 4.30 0.02 -1.26 -1.73 135.00 141.04 1jrk s PRO 56 Ca 0.00 2.40 -0.01 0.00 0.02 0.00 0.00 61.00 63.41 1jrk s PRO 56 Cb -0.14 -2.54 -0.03 0.00 0.02 0.00 0.00 34.50 31.81 1jrk s PRO 56 CO -0.08 -0.95 -0.01 0.96 -0.33 0.00 0.00 177.00 176.58 1jrk s ILE 57 N -1.22 0.19 -3.28 2.83 -4.36 0.04 -4.87 121.20 110.52 1jrk s ILE 57 Ca 0.64 -1.53 0.00 0.00 -0.26 0.00 0.00 60.65 59.50 1jrk s ILE 57 Cb -0.44 -1.17 0.00 0.00 1.25 0.00 0.00 42.46 42.11 1jrk s ILE 57 CO 0.55 -0.84 0.00 0.61 0.24 0.00 0.00 174.94 175.50 1jrk n GLY 58 N 0.51 -1.40 3.77 6.27 0.00 -1.26 -3.99 105.19 109.09 1jrk n GLY 58 Ca -0.17 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 1jrk n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jrk s PHE 59 N -2.94 3.43 0.13 1.61 0.08 -1.26 -4.70 117.98 114.33 1jrk s PHE 59 Ca 0.00 1.66 -0.10 0.00 0.12 0.00 0.00 56.93 58.61 1jrk s PHE 59 Cb 0.00 -3.26 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 1jrk s PHE 59 CO 0.00 -0.67 0.28 0.95 -0.10 0.00 0.00 175.22 175.68 1jrk s THR 60 N -1.33 0.09 -0.17 0.64 -4.23 -1.26 -2.18 115.64 107.20 1jrk s THR 60 Ca 0.50 -1.16 0.11 0.00 -1.18 0.00 0.00 61.69 59.95 1jrk s THR 60 Cb -0.29 -1.55 -0.23 0.00 1.34 0.00 0.00 72.50 71.77 1jrk s THR 60 CO 0.37 -0.42 0.16 -1.22 -0.54 0.00 0.00 174.62 172.98 1jrk n TYR 61 N -0.17 0.35 0.00 3.99 4.02 -1.26 -5.02 117.16 119.07 1jrk n TYR 61 Ca -0.11 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1jrk n TYR 61 Cb 0.63 -1.06 0.00 0.00 -0.02 0.00 0.00 39.34 38.89 1jrk n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jrk n GLY 62 N 1.85 1.62 3.71 2.72 0.00 -1.26 -5.10 105.19 108.72 1jrk n GLY 62 Ca -0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1jrk n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jrk s ILE 63 N -2.00 3.23 -0.30 -0.61 1.01 -1.26 -4.99 121.20 116.28 1jrk s ILE 63 Ca 0.00 0.83 -0.16 0.00 0.00 0.00 0.00 60.65 61.32 1jrk s ILE 63 Cb 0.00 -3.54 0.17 0.00 0.01 0.00 0.00 42.46 39.11 1jrk s ILE 63 CO 0.00 0.05 1.09 -0.51 0.00 0.00 0.00 174.94 175.57 1jrk s ILE 64 N 1.46 -0.11 0.01 2.92 2.07 -1.26 -1.64 121.20 124.65 1jrk s ILE 64 Ca 0.66 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.90 1jrk s ILE 64 Cb -0.37 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.22 1jrk s ILE 64 CO 0.30 0.00 0.02 -0.90 -1.91 0.00 0.00 174.94 172.45 1jrk n ASP 65 N 3.89 -0.06 0.22 4.50 5.68 -1.02 -5.03 116.55 124.73 1jrk n ASP 65 Ca -0.15 -1.04 0.17 0.00 -0.50 0.00 0.00 54.79 53.27 1jrk n ASP 65 Cb 0.56 0.09 0.84 0.00 -1.14 0.00 0.00 41.12 41.47 1jrk n ASP 65 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jrk h GLU 66 N 0.00 0.00 0.00 0.11 3.07 -2.06 -3.17 114.58 112.52 1jrk h GLU 66 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1jrk h GLU 66 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1jrk h GLU 66 CO 0.01 0.00 -1.84 0.09 -1.40 0.00 0.00 179.01 175.87 1jrk n ASN 67 N -3.83 0.16 -3.58 1.42 3.02 -1.26 -5.03 115.26 106.15 1jrk n ASN 67 Ca 0.01 -0.15 -0.12 0.00 -0.03 0.00 0.00 54.58 54.29 1jrk n ASN 67 Cb 0.29 1.84 -0.05 0.00 -0.61 0.00 0.00 39.78 41.24 1jrk n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jrk s ALA 68 N -3.44 -1.91 -0.05 5.41 0.00 -1.20 -5.16 121.76 115.42 1jrk s ALA 68 Ca -0.05 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.51 1jrk s ALA 68 Cb 0.14 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1jrk s ALA 68 CO 0.90 -0.31 -0.10 0.54 0.00 0.00 0.00 175.76 176.80 1jrk s VAL 69 N -0.95 0.89 0.41 0.00 0.11 -1.26 -2.44 120.40 117.16 1jrk s VAL 69 Ca -0.03 -0.37 -0.25 0.00 -2.93 0.00 0.00 61.98 58.40 1jrk s VAL 69 Cb -0.01 -0.82 -0.08 0.00 -1.53 0.00 0.00 36.38 33.93 1jrk s VAL 69 CO 0.02 0.29 1.21 -0.70 -3.33 0.00 0.00 175.10 172.59 1jrk s GLU 70 N 0.53 3.98 0.11 1.54 2.12 -0.65 -5.03 118.70 121.30 1jrk s GLU 70 Ca -0.10 1.93 0.06 0.00 0.36 0.00 0.00 54.97 57.23 1jrk s GLU 70 Cb -0.13 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.55 1jrk s GLU 70 CO 0.02 -0.41 -0.04 1.03 -0.54 0.00 0.00 175.26 175.33 1jrk s ARG 71 N -2.32 2.38 0.53 4.30 1.81 -1.26 -4.98 118.95 119.41 1jrk s ARG 71 Ca 0.58 -0.94 -0.21 0.00 -1.72 0.00 0.00 55.73 53.44 1jrk s ARG 71 Cb -0.33 -2.44 -0.05 0.00 -0.45 0.00 0.00 34.95 31.68 1jrk s ARG 71 CO 0.41 0.52 1.25 -1.25 -0.68 0.00 0.00 175.30 175.55 1jrk s PRO 72 N -2.36 3.28 0.20 3.54 0.04 -1.26 -4.91 135.00 133.52 1jrk s PRO 72 Ca 0.24 1.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 1jrk s PRO 72 Cb -0.11 -2.19 -0.08 0.00 0.04 0.00 0.00 34.50 32.15 1jrk s PRO 72 CO 0.17 -0.99 1.20 1.41 0.04 0.00 0.00 177.00 178.82 1jrk s MET 73 N -2.98 4.49 1.12 4.56 1.75 -0.93 -4.93 119.30 122.38 1jrk s MET 73 Ca 0.71 1.89 -0.12 0.00 -1.25 0.00 0.00 55.69 56.92 1jrk s MET 73 Cb -0.33 -3.23 0.26 0.00 2.84 0.00 0.00 34.83 34.37 1jrk s MET 73 CO 0.39 -0.08 1.05 -2.14 -0.65 0.00 0.00 175.02 173.58 1jrk s PRO 74 N -0.36 -0.56 0.05 4.11 0.02 -1.26 -4.27 135.00 132.73 1jrk s PRO 74 Ca 0.52 0.86 -0.18 0.00 0.02 0.00 0.00 61.00 62.23 1jrk s PRO 74 Cb -0.33 -1.59 -0.17 0.00 0.02 0.00 0.00 34.50 32.42 1jrk s PRO 74 CO 0.37 -3.49 1.25 1.25 -0.33 0.00 0.00 177.00 176.05 1jrk h LEU 75 N -2.46 0.62 -7.00 -5.54 5.85 0.62 -3.47 115.31 103.94 1jrk h LEU 75 Ca -0.59 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 57.53 1jrk h LEU 75 Cb 1.33 -0.18 -0.16 0.00 0.37 0.00 0.00 40.66 42.01 1jrk h LEU 75 CO 0.51 1.14 0.33 0.54 -0.34 0.00 0.00 178.44 180.62 1jrk s VAL 76 N -3.75 0.00 -0.17 1.05 0.11 -1.08 -5.05 120.40 111.51 1jrk s VAL 76 Ca -0.13 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 58.92 1jrk s VAL 76 Cb 0.06 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1jrk s VAL 76 CO 0.82 0.00 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.91 1jrk s ILE 77 N -2.48 1.13 -0.05 7.04 1.01 -1.26 -1.71 121.20 124.87 1jrk s ILE 77 Ca -0.02 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.01 1jrk s ILE 77 Cb -0.01 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1jrk s ILE 77 CO -0.03 0.12 -0.15 -0.76 0.00 0.00 0.00 174.94 174.12 1jrk s LEU 78 N 1.62 2.70 -0.60 2.97 1.43 -1.00 -4.97 118.68 120.84 1jrk s LEU 78 Ca 0.00 -0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1jrk s LEU 78 Cb -0.15 -1.55 0.15 0.00 0.03 0.00 0.00 46.19 44.67 1jrk s LEU 78 CO -0.08 0.33 0.54 -0.70 0.23 0.00 0.00 176.35 176.68 1jrk s GLU 79 N -0.66 3.06 0.12 1.70 2.12 -1.26 -0.96 118.70 122.82 1jrk s GLU 79 Ca 0.10 -1.89 -0.19 0.00 0.36 0.00 0.00 54.97 53.35 1jrk s GLU 79 Cb -0.11 -4.28 -0.07 0.00 0.26 0.00 0.00 34.13 29.93 1jrk s GLU 79 CO 0.01 -1.31 0.61 -1.21 -0.54 0.00 0.00 175.26 172.82 1jrk s GLU 80 N 1.25 4.22 -0.24 4.30 2.02 -0.04 -4.88 118.70 125.32 1jrk s GLU 80 Ca 0.07 0.77 -0.08 0.00 0.02 0.00 0.00 54.97 55.74 1jrk s GLU 80 Cb -0.25 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 1jrk s GLU 80 CO 0.00 0.57 0.10 0.08 0.02 0.00 0.00 175.26 176.03 1jrk s VAL 81 N -1.23 4.67 -0.30 2.63 1.01 -1.26 -1.11 120.40 124.81 1jrk s VAL 81 Ca 0.33 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.29 1jrk s VAL 81 Cb -0.19 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.09 1jrk s VAL 81 CO 0.20 0.34 -0.02 -0.69 0.00 0.00 0.00 175.10 174.93 1jrk s VAL 82 N 1.39 2.23 -0.52 2.92 1.01 -0.37 -5.02 120.40 122.04 1jrk s VAL 82 Ca 0.06 -2.03 -0.21 0.00 0.00 0.00 0.00 61.98 59.80 1jrk s VAL 82 Cb -0.15 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.78 1jrk s VAL 82 CO 0.05 -0.34 0.74 -0.54 0.00 0.00 0.00 175.10 175.01 1jrk s LYS 83 N 0.99 3.21 -0.32 2.72 1.02 -1.26 -0.73 119.74 125.37 1jrk s LYS 83 Ca 0.02 -0.62 -0.09 0.00 0.02 0.00 0.00 55.97 55.30 1jrk s LYS 83 Cb -0.19 -4.07 0.01 0.00 -0.52 0.00 0.00 37.83 33.05 1jrk s LYS 83 CO -0.07 -1.30 0.13 0.71 -0.92 0.00 0.00 175.35 173.91 1jrk s TYR 84 N 3.11 3.18 -0.72 3.18 4.12 -1.24 -4.98 117.35 124.00 1jrk s TYR 84 Ca 0.21 -0.81 -0.26 0.00 0.02 0.00 0.00 57.07 56.23 1jrk s TYR 84 Cb -0.16 -2.33 -0.09 0.00 -1.52 0.00 0.00 41.96 37.85 1jrk s TYR 84 CO 0.15 -0.54 2.26 -2.14 0.02 0.00 0.00 175.55 175.30 1jrk s PRO 85 N 1.55 2.01 0.00 -1.71 0.02 -1.26 -1.43 135.00 134.18 1jrk s PRO 85 Ca 0.03 0.57 0.00 0.00 0.02 0.00 0.00 61.00 61.63 1jrk s PRO 85 Cb -0.18 -4.75 0.00 0.00 0.02 0.00 0.00 34.50 29.60 1jrk s PRO 85 CO 0.05 -3.79 0.00 -0.85 -0.33 0.00 0.00 177.00 172.08 1jrk n GLU 86 N 8.91 0.00 -1.73 5.54 0.28 -1.26 -5.08 120.64 127.30 1jrk n GLU 86 Ca 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 1jrk n GLU 86 Cb 0.48 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.35 1jrk n GLU 86 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1jrk n GLU 87 N 0.00 -0.32 0.00 3.44 0.28 -0.52 -5.12 120.64 118.40 1jrk n GLU 87 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1jrk n GLU 87 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1jrk n GLU 87 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1jrk n THR 88 N 9.00 0.00 -2.93 3.84 -1.04 -1.26 -3.73 114.28 118.16 1jrk n THR 88 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1jrk n THR 88 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1jrk n THR 88 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1jrk s HIS 89 N 0.00 3.40 -0.13 -1.42 3.76 0.09 -4.91 115.29 116.07 1jrk s HIS 89 Ca 0.00 0.47 0.01 0.00 -0.15 0.00 0.00 55.06 55.40 1jrk s HIS 89 Cb 0.00 -2.24 0.02 0.00 1.11 0.00 0.00 32.58 31.47 1jrk s HIS 89 CO 0.00 -0.25 -0.16 0.42 -0.85 0.00 0.00 174.74 173.90 1jrk s ILE 90 N -2.59 1.64 -0.17 0.60 -1.09 -1.26 -1.24 121.20 117.10 1jrk s ILE 90 Ca 0.46 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 1jrk s ILE 90 Cb -0.10 -1.51 0.01 0.00 -1.58 0.00 0.00 42.46 39.28 1jrk s ILE 90 CO 0.40 0.47 -0.17 -1.00 -1.23 0.00 0.00 174.94 173.41 1jrk s HIS 91 N 1.17 2.78 -0.57 3.97 3.76 -0.27 -4.90 115.29 121.23 1jrk s HIS 91 Ca -0.01 -1.27 -0.21 0.00 -0.15 0.00 0.00 55.06 53.42 1jrk s HIS 91 Cb -0.14 -1.91 0.07 0.00 1.11 0.00 0.00 32.58 31.71 1jrk s HIS 91 CO -0.06 -0.61 0.77 0.12 -0.85 0.00 0.00 174.74 174.12 1jrk s PHE 92 N 1.03 2.91 -0.39 1.40 5.36 -1.01 -0.86 117.98 126.42 1jrk s PHE 92 Ca -0.01 -0.58 -0.13 0.00 -0.96 0.00 0.00 56.93 55.25 1jrk s PHE 92 Cb -0.15 -3.92 0.02 0.00 -0.34 0.00 0.00 43.02 38.63 1jrk s PHE 92 CO -0.05 -1.30 0.26 0.34 -1.46 0.00 0.00 175.22 173.01 1jrk s ASP 93 N 3.20 5.94 -0.39 6.13 2.15 -0.13 0.11 116.67 133.67 1jrk s ASP 93 Ca 0.18 -0.90 -0.23 0.00 0.43 0.00 0.00 52.55 52.03 1jrk s ASP 93 Cb -0.19 -2.10 0.01 0.00 -0.30 0.00 0.00 42.92 40.34 1jrk s ASP 93 CO 0.11 -0.40 0.80 -0.76 -0.17 0.00 0.00 175.17 174.74 1jrk s LEU 94 N 1.63 4.15 -0.25 -1.34 1.02 -0.04 -2.37 118.68 121.47 1jrk s LEU 94 Ca 0.04 0.24 -0.06 0.00 0.02 0.00 0.00 54.13 54.37 1jrk s LEU 94 Cb -0.19 -3.03 -0.01 0.00 0.02 0.00 0.00 46.19 42.99 1jrk s LEU 94 CO 0.09 -0.80 0.03 -0.63 0.02 0.00 0.00 176.35 175.06 1jrk s ILE 95 N 3.20 3.81 0.15 -0.59 1.01 -0.69 -2.02 121.20 126.06 1jrk s ILE 95 Ca 0.31 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.51 1jrk s ILE 95 Cb -0.13 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1jrk s ILE 95 CO 0.19 0.28 0.20 -0.31 0.00 0.00 0.00 174.94 175.30 1jrk s TYR 96 N 1.52 3.32 -0.06 3.97 1.51 -0.09 0.12 117.35 127.63 1jrk s TYR 96 Ca 0.05 0.06 -0.17 0.00 -1.01 0.00 0.00 57.07 56.00 1jrk s TYR 96 Cb -0.16 -1.60 -0.05 0.00 -0.11 0.00 0.00 41.96 40.05 1jrk s TYR 96 CO 0.00 0.52 0.45 -1.17 -1.11 0.00 0.00 175.55 174.25 1jrk s LEU 97 N -3.10 4.36 0.09 -1.29 2.96 -1.26 -1.12 118.68 119.31 1jrk s LEU 97 Ca 0.33 0.89 0.01 0.00 -0.22 0.00 0.00 54.13 55.14 1jrk s LEU 97 Cb -0.11 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1jrk s LEU 97 CO 0.26 0.14 -0.06 0.68 -1.32 0.00 0.00 176.35 176.04 1jrk s VAL 98 N -0.10 0.59 0.20 1.68 -7.23 -0.83 -0.78 120.40 113.93 1jrk s VAL 98 Ca 0.25 -1.85 0.11 0.00 -1.81 0.00 0.00 61.98 58.68 1jrk s VAL 98 Cb -0.16 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1jrk s VAL 98 CO 0.12 -0.87 -0.24 -1.59 -0.31 0.00 0.00 175.10 172.22 1jrk s LYS 99 N -3.70 1.51 -0.00 4.82 -2.85 -0.71 -4.44 119.74 114.38 1jrk s LYS 99 Ca 0.09 -1.53 -0.29 0.00 -1.00 0.00 0.00 55.97 53.25 1jrk s LYS 99 Cb 0.05 -1.82 -0.03 0.00 -2.06 0.00 0.00 37.83 33.97 1jrk s LYS 99 CO -0.05 0.39 0.92 0.50 0.10 0.00 0.00 175.35 177.21 1jrk s ARG 100 N -2.71 4.55 0.00 1.78 3.52 -1.26 -0.41 118.95 124.41 1jrk s ARG 100 Ca 0.21 1.32 0.00 0.00 -0.13 0.00 0.00 55.73 57.13 1jrk s ARG 100 Cb -0.08 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.86 1jrk s ARG 100 CO 0.10 -0.00 0.08 1.33 -0.81 0.00 0.00 175.30 176.00 1jrk n VAL 101 N 3.77 0.00 -1.34 7.11 0.24 0.11 -4.91 118.33 123.31 1jrk n VAL 101 Ca 0.04 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1jrk n VAL 101 Cb 0.51 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 1jrk n VAL 101 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jrk n GLY 102 N 0.52 -1.62 4.69 7.63 0.00 -1.02 -4.98 105.19 110.41 1jrk n GLY 102 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1jrk n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrk n GLY 103 N -0.24 -1.36 3.62 -0.02 0.00 -1.26 0.22 105.19 106.15 1jrk n GLY 103 Ca 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 1jrk n GLY 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jrk s ASP 104 N -4.00 -0.54 -0.13 1.61 -0.00 -0.55 -4.81 116.67 108.26 1jrk s ASP 104 Ca 0.00 0.99 -0.30 0.00 -0.00 0.00 0.00 52.55 53.24 1jrk s ASP 104 Cb 0.00 0.98 -0.08 0.00 -0.00 0.00 0.00 42.92 43.82 1jrk s ASP 104 CO 0.00 -0.22 2.09 -0.11 -0.00 0.00 0.00 175.17 176.93 1jrk n LEU 105 N 2.16 3.49 -0.07 1.23 7.94 -1.26 -3.64 117.00 126.84 1jrk n LEU 105 Ca -0.13 0.57 -0.10 0.00 -1.11 0.00 0.00 56.01 55.24 1jrk n LEU 105 Cb 0.56 -1.49 -0.07 0.00 0.53 0.00 0.00 43.42 42.94 1jrk n LEU 105 CO 0.05 -0.30 -0.97 0.29 -1.11 0.00 0.00 177.39 175.35 1jrk n LYS 106 N 8.00 0.57 -3.99 1.96 4.76 0.88 -5.02 118.16 125.33 1jrk n LYS 106 Ca 0.27 0.07 -0.09 0.00 -2.87 0.00 0.00 58.31 55.69 1jrk n LYS 106 Cb 0.39 -1.29 -0.11 0.00 -1.84 0.00 0.00 35.03 32.18 1jrk n LYS 106 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1jrk s ASN 107 N -5.30 0.25 0.00 4.39 3.84 -1.02 -5.03 114.94 112.06 1jrk s ASN 107 Ca -0.18 -0.54 0.00 0.00 0.21 0.00 0.00 52.86 52.35 1jrk s ASN 107 Cb 0.05 0.12 0.00 0.00 -0.55 0.00 0.00 41.25 40.87 1jrk s ASN 107 CO 0.35 -0.34 0.00 0.61 -2.79 0.00 0.00 177.10 174.94 1jrk n GLY 108 N 1.42 1.90 3.12 1.21 0.00 -1.26 -4.45 105.19 107.13 1jrk n GLY 108 Ca -0.23 -2.08 -0.21 0.00 0.00 0.00 0.00 46.02 43.49 1jrk n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jrk s GLU 109 N -1.95 1.05 -0.36 1.61 2.02 -0.13 -4.98 118.70 115.96 1jrk s GLU 109 Ca 0.00 -0.59 -0.26 0.00 0.02 0.00 0.00 54.97 54.14 1jrk s GLU 109 Cb 0.00 -1.03 0.01 0.00 0.10 0.00 0.00 34.13 33.21 1jrk s GLU 109 CO 0.00 0.27 0.92 -1.58 0.02 0.00 0.00 175.26 174.90 1jrk s TRP 110 N -0.52 3.10 -0.29 1.61 0.52 -1.26 -0.78 118.94 121.31 1jrk s TRP 110 Ca 0.04 0.81 -0.11 0.00 0.02 0.00 0.00 56.10 56.85 1jrk s TRP 110 Cb -0.06 -3.61 -0.04 0.00 -1.15 0.00 0.00 33.47 28.61 1jrk s TRP 110 CO 0.00 -0.80 0.20 0.42 0.02 0.00 0.00 176.95 176.80 1jrk s ILE 111 N 3.44 5.30 -0.06 2.03 -1.09 0.25 -4.88 121.20 126.20 1jrk s ILE 111 Ca 0.38 0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.58 1jrk s ILE 111 Cb -0.12 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 1jrk s ILE 111 CO 0.18 0.19 1.60 -0.62 -1.23 0.00 0.00 174.94 175.05 1jrk s ASP 112 N 1.75 6.71 0.60 3.58 -1.08 -1.26 -0.25 116.67 126.71 1jrk s ASP 112 Ca 0.07 2.18 0.29 0.00 -0.52 0.00 0.00 52.55 54.56 1jrk s ASP 112 Cb -0.16 -2.54 1.48 0.00 -1.46 0.00 0.00 42.92 40.24 1jrk s ASP 112 CO 0.11 -0.90 1.89 -0.37 0.52 0.00 0.00 175.17 176.42 1jrk h VAL 113 N 5.52 0.29 0.00 1.11 -1.51 -1.68 0.29 116.25 120.26 1jrk h VAL 113 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1jrk h VAL 113 Cb 1.17 0.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1jrk h VAL 113 CO 0.95 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.83 1jrk n ARG 114 N -3.54 0.67 0.00 5.19 1.74 -1.26 -3.43 116.66 116.02 1jrk n ARG 114 Ca 0.06 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1jrk n ARG 114 Cb 0.62 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1jrk n ARG 114 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1jrk n GLU 115 N -1.09 4.82 -0.39 5.56 1.02 0.98 -4.82 120.64 126.73 1jrk n GLU 115 Ca 0.17 -0.02 0.31 0.00 -0.02 0.00 0.00 57.16 57.60 1jrk n GLU 115 Cb 0.12 -0.40 0.60 0.00 -0.02 0.00 0.00 31.44 31.75 1jrk n GLU 115 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1jrk h ILE 116 N 0.02 0.33 0.00 -3.67 6.09 -1.50 -0.16 117.51 118.61 1jrk h ILE 116 Ca 0.00 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 1jrk h ILE 116 Cb 0.01 0.10 0.00 0.00 0.47 0.00 0.00 36.82 37.40 1jrk h ILE 116 CO 0.00 0.04 0.00 0.47 -3.07 0.00 0.00 178.15 175.59 1jrk n ASP 117 N -4.58 0.03 -0.97 2.19 8.00 -1.26 -1.98 116.55 117.98 1jrk n ASP 117 Ca 0.31 0.51 -0.00 0.00 0.71 0.00 0.00 54.79 56.31 1jrk n ASP 117 Cb 1.19 -0.51 0.20 0.00 -0.02 0.00 0.00 41.12 41.98 1jrk n ASP 117 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1jrk n ARG 118 N -1.53 1.86 -4.62 -1.24 -4.01 -0.07 -4.99 116.66 102.06 1jrk n ARG 118 Ca 0.04 -3.15 -0.25 0.00 -1.04 0.00 0.00 57.85 53.46 1jrk n ARG 118 Cb 0.22 -1.76 -0.17 0.00 -3.04 0.00 0.00 32.46 27.70 1jrk n ARG 118 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1jrk s ILE 119 N -3.19 1.18 -0.60 8.89 1.01 -0.84 -5.08 121.20 122.58 1jrk s ILE 119 Ca 0.42 -0.51 -0.26 0.00 0.00 0.00 0.00 60.65 60.30 1jrk s ILE 119 Cb 0.39 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 1jrk s ILE 119 CO -0.01 0.36 2.05 -0.70 0.00 0.00 0.00 174.94 176.65 1jrk s GLU 120 N 0.63 2.43 0.22 2.79 2.12 -1.26 -4.92 118.70 120.70 1jrk s GLU 120 Ca -0.14 0.80 0.07 0.00 0.36 0.00 0.00 54.97 56.05 1jrk s GLU 120 Cb -0.16 -4.50 -0.04 0.00 0.26 0.00 0.00 34.13 29.70 1jrk s GLU 120 CO 0.04 -2.99 0.13 0.95 -0.54 0.00 0.00 175.26 172.84 1jrk s THR 121 N 10.27 4.22 0.50 -1.70 -4.23 -1.26 -0.96 115.64 122.49 1jrk s THR 121 Ca 0.77 -1.39 -0.22 0.00 -1.18 0.00 0.00 61.69 59.67 1jrk s THR 121 Cb -0.14 -3.22 -0.06 0.00 1.34 0.00 0.00 72.50 70.42 1jrk s THR 121 CO 0.21 -0.26 1.22 0.12 -0.54 0.00 0.00 174.62 175.37 1jrk s PHE 122 N -2.00 2.65 -0.20 3.99 5.36 0.67 -4.75 117.98 123.70 1jrk s PHE 122 Ca 0.31 1.49 -0.43 0.00 -0.96 0.00 0.00 56.93 57.35 1jrk s PHE 122 Cb -0.08 -3.50 -0.20 0.00 -0.34 0.00 0.00 43.02 38.90 1jrk s PHE 122 CO 0.23 -1.96 1.31 -2.30 -1.46 0.00 0.00 175.22 171.04 1jrk n PRO 123 N -0.80 0.10 -0.86 10.12 -0.02 -1.26 -1.83 135.00 140.45 1jrk n PRO 123 Ca 0.09 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1jrk n PRO 123 Cb 0.48 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1jrk n PRO 123 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jrk n ASN 124 N 2.66 -0.63 -0.22 2.55 3.02 -1.26 -4.89 115.26 116.50 1jrk n ASN 124 Ca 0.24 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.77 1jrk n ASN 124 Cb 0.03 -0.93 0.08 0.00 -0.61 0.00 0.00 39.78 38.36 1jrk n ASN 124 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1jrk h VAL 125 N 0.00 0.98 -0.76 2.41 2.07 -1.71 0.38 116.25 119.62 1jrk h VAL 125 Ca 0.00 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1jrk h VAL 125 Cb 0.05 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 1jrk h VAL 125 CO 0.00 0.12 0.48 0.03 0.02 0.00 0.00 177.57 178.22 1jrk h ARG 126 N 0.65 0.89 -0.47 1.57 3.08 -1.90 0.21 114.38 118.42 1jrk h ARG 126 Ca 0.28 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.28 1jrk h ARG 126 Cb 0.15 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1jrk h ARG 126 CO -0.17 0.59 0.31 0.87 -1.07 0.00 0.00 179.97 180.50 1jrk h LYS 127 N 0.91 0.61 -0.76 0.04 1.57 -1.63 -2.39 116.57 114.91 1jrk h LYS 127 Ca 0.31 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1jrk h LYS 127 Cb 0.05 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1jrk h LYS 127 CO -0.13 0.40 0.35 0.28 -0.57 0.00 0.00 179.45 179.78 1jrk h VAL 128 N 0.62 1.25 -0.70 0.50 2.07 -0.11 -2.20 116.25 117.68 1jrk h VAL 128 Ca 0.17 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1jrk h VAL 128 Cb -0.07 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 1jrk h VAL 128 CO -0.04 0.30 0.33 0.58 0.02 0.00 0.00 177.57 178.77 1jrk h VAL 129 N 1.09 1.22 -0.11 2.57 2.07 -0.64 0.67 116.25 123.11 1jrk h VAL 129 Ca 0.26 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1jrk h VAL 129 Cb 0.15 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1jrk h VAL 129 CO -0.03 0.27 0.07 -1.28 0.02 0.00 0.00 177.57 176.62 1jrk h SER 130 N 0.99 0.13 -0.53 0.57 0.87 -1.10 -1.09 113.55 113.39 1jrk h SER 130 Ca 0.24 -0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.83 1jrk h SER 130 Cb 0.11 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 61.98 1jrk h SER 130 CO -0.03 0.13 0.23 -0.07 -0.53 0.00 0.00 176.83 176.56 1jrk h LEU 131 N 0.12 0.29 -0.21 2.23 3.38 -0.67 -2.11 115.31 118.34 1jrk h LEU 131 Ca 0.04 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1jrk h LEU 131 Cb 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1jrk h LEU 131 CO -0.01 0.20 -0.26 0.00 0.09 0.00 0.00 178.44 178.46 1jrk h ALA 132 N 1.32 -0.18 -0.20 1.53 0.00 -0.25 0.29 119.26 121.77 1jrk h ALA 132 Ca 0.25 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.27 1jrk h ALA 132 Cb 0.22 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1jrk h ALA 132 CO -0.21 -0.69 -0.17 -0.07 0.00 0.00 0.00 179.25 178.10 1jrk h LEU 133 N -0.28 -0.54 -0.43 0.00 3.38 -0.58 1.08 115.31 117.94 1jrk h LEU 133 Ca 0.12 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1jrk h LEU 133 Cb 0.47 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1jrk h LEU 133 CO -0.37 -0.21 0.12 0.28 0.09 0.00 0.00 178.44 178.35 1jrk h SER 134 N -0.18 0.64 -0.65 -0.43 0.02 -1.10 -1.84 113.55 110.01 1jrk h SER 134 Ca 0.12 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1jrk h SER 134 Cb 0.36 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1jrk h SER 134 CO -0.31 0.69 0.43 0.74 -1.14 0.00 0.00 176.83 177.24 1jrk h THR 135 N 0.56 1.17 -0.90 -2.27 2.02 0.30 -0.79 112.91 113.00 1jrk h THR 135 Ca 0.14 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1jrk h THR 135 Cb 0.29 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1jrk h THR 135 CO -0.00 0.17 0.56 -0.07 0.37 0.00 0.00 175.52 176.55 1jrk h LEU 136 N 0.89 1.07 -0.42 2.58 3.38 0.14 -0.77 115.31 122.18 1jrk h LEU 136 Ca 0.24 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1jrk h LEU 136 Cb -0.09 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 1jrk h LEU 136 CO -0.05 0.81 0.25 0.22 0.09 0.00 0.00 178.44 179.76 1jrk h TYR 137 N 1.24 0.46 -0.24 1.13 3.20 -0.42 0.13 116.97 122.47 1jrk h TYR 137 Ca 0.33 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.15 1jrk h TYR 137 Cb -0.08 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1jrk h TYR 137 CO -0.00 0.27 -0.13 0.00 -1.64 0.00 0.00 178.16 176.65 1jrk h ARG 138 N 0.50 0.40 0.00 1.82 3.08 -0.51 -1.34 114.38 118.33 1jrk h ARG 138 Ca 0.17 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1jrk h ARG 138 Cb 0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1jrk h ARG 138 CO -0.08 0.53 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.16 1jrk h LEU 139 N 0.37 0.00 0.04 3.04 3.38 -0.83 -1.60 115.31 119.72 1jrk h LEU 139 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jrk h LEU 139 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1jrk h LEU 139 CO 0.03 0.06 -0.02 1.23 0.09 0.00 0.00 178.44 179.83 1jrk h GLY 140 N 3.94 -0.06 0.99 0.83 0.00 0.29 -2.44 103.07 106.61 1jrk h GLY 140 Ca -0.00 0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 1jrk h GLY 140 CO 0.01 -0.02 -0.14 0.50 0.00 0.00 0.00 176.54 176.88 1jrk h LYS 141 N -0.49 0.78 -0.96 4.80 1.79 -1.28 -1.12 116.57 120.08 1jrk h LYS 141 Ca -0.01 -0.32 0.12 0.00 -2.18 0.00 0.00 60.65 58.27 1jrk h LYS 141 Cb 0.44 -0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 30.98 1jrk h LYS 141 CO 0.01 0.94 0.59 0.82 -1.08 0.00 0.00 179.45 180.72 1jrk h ILE 142 N 0.58 0.88 -0.16 1.86 2.04 -1.33 0.12 117.51 121.50 1jrk h ILE 142 Ca 0.09 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1jrk h ILE 142 Cb 0.68 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1jrk h ILE 142 CO 0.05 0.17 0.01 -1.28 0.00 0.00 0.00 178.15 177.09 1jrk h SER 143 N 0.91 0.27 1.83 1.72 0.87 -1.21 -1.97 113.55 115.96 1jrk h SER 143 Ca 0.49 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1jrk h SER 143 Cb 0.52 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1jrk h SER 143 CO -0.28 0.50 -0.13 0.07 -0.53 0.00 0.00 176.83 176.46 1jrk h LYS 144 N 0.04 0.00 -0.04 2.24 2.10 -0.62 -0.68 116.57 119.62 1jrk h LYS 144 Ca 0.05 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.50 1jrk h LYS 144 Cb 0.35 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1jrk h LYS 144 CO 0.01 0.13 -0.82 1.25 -2.00 0.00 0.00 179.45 178.02 1jrk h LEU 145 N 0.00 0.44 -0.88 7.07 5.85 -0.80 -1.27 115.31 125.71 1jrk h LEU 145 Ca -0.00 -0.32 -0.12 0.00 0.84 0.00 0.00 57.88 58.28 1jrk h LEU 145 Cb 1.08 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1jrk h LEU 145 CO 0.02 1.08 -0.55 0.00 -0.34 0.00 0.00 178.44 178.65 1jrk h ALA 146 N 0.90 1.08 0.00 1.25 0.00 -1.19 -2.71 119.26 118.58 1jrk h ALA 146 Ca -0.05 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1jrk h ALA 146 Cb 1.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1jrk h ALA 146 CO 0.14 0.69 -0.52 0.00 0.00 0.00 0.00 179.25 179.56 1jrk h ALA 147 N 1.43 0.86 0.00 0.00 0.00 -0.73 -3.51 119.26 117.31 1jrk h ALA 147 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1jrk h ALA 147 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1jrk h ALA 147 CO 0.07 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.97