#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jch s LEU 2 N 0.00 4.13 0.12 0.99 2.96 -0.75 -2.10 118.68 124.03 1jch s LEU 2 Ca 0.00 2.14 -0.04 0.00 -0.22 0.00 0.00 54.13 56.01 1jch s LEU 2 Cb 0.00 -4.17 -0.03 0.00 0.50 0.00 0.00 46.19 42.49 1jch s LEU 2 CO 0.00 -0.60 0.12 -0.54 -1.32 0.00 0.00 176.35 174.01 1jch s LYS 3 N -2.50 0.94 -0.17 1.98 1.02 0.24 -0.85 119.74 120.40 1jch s LYS 3 Ca 0.59 -1.29 -0.05 0.00 0.02 0.00 0.00 55.97 55.25 1jch s LYS 3 Cb -0.25 0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.32 1jch s LYS 3 CO 0.31 -0.29 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.93 1jch s LEU 4 N -2.99 3.33 -0.27 3.17 1.02 -1.26 -1.64 118.68 120.04 1jch s LEU 4 Ca 0.18 -0.11 -0.10 0.00 0.02 0.00 0.00 54.13 54.11 1jch s LEU 4 Cb 0.06 -1.82 -0.05 0.00 0.02 0.00 0.00 46.19 44.41 1jch s LEU 4 CO -0.02 0.15 0.16 -0.62 0.02 0.00 0.00 176.35 176.04 1jch s ASP 5 N 0.50 5.88 -0.13 2.29 -1.08 0.29 -2.65 116.67 121.77 1jch s ASP 5 Ca -0.02 -0.02 0.02 0.00 -0.52 0.00 0.00 52.55 52.02 1jch s ASP 5 Cb -0.14 -2.08 0.01 0.00 -1.46 0.00 0.00 42.92 39.25 1jch s ASP 5 CO 0.02 -0.02 -0.21 -0.22 0.52 0.00 0.00 175.17 175.26 1jch s LEU 6 N 1.58 2.16 0.05 -1.34 2.96 -1.21 -0.65 118.68 122.23 1jch s LEU 6 Ca 0.07 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 1jch s LEU 6 Cb -0.15 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1jch s LEU 6 CO 0.08 0.10 -0.11 0.42 -1.32 0.00 0.00 176.35 175.53 1jch s THR 7 N 0.71 0.81 -0.01 3.68 -4.23 -0.47 -2.21 115.64 113.92 1jch s THR 7 Ca -0.09 -1.12 -0.13 0.00 -1.18 0.00 0.00 61.69 59.17 1jch s THR 7 Cb -0.16 -0.82 0.02 0.00 1.34 0.00 0.00 72.50 72.88 1jch s THR 7 CO 0.01 -0.26 0.27 -1.66 -0.54 0.00 0.00 174.62 172.43 1jch s TRP 8 N -1.23 -0.13 0.19 3.99 -2.14 0.11 -0.35 118.94 119.38 1jch s TRP 8 Ca -0.05 0.19 0.03 0.00 2.66 0.00 0.00 56.10 58.93 1jch s TRP 8 Cb -0.09 0.06 -0.05 0.00 -3.10 0.00 0.00 33.47 30.29 1jch s TRP 8 CO 0.01 -0.36 -0.03 -0.06 -2.66 0.00 0.00 176.95 173.86 1jch s PHE 9 N -1.28 1.38 0.07 1.66 0.40 -0.63 -0.13 117.98 119.45 1jch s PHE 9 Ca -0.13 -0.91 -0.31 0.00 -0.60 0.00 0.00 56.93 54.98 1jch s PHE 9 Cb -0.06 -0.78 -0.07 0.00 0.51 0.00 0.00 43.02 42.63 1jch s PHE 9 CO 0.03 -0.06 1.33 0.34 0.70 0.00 0.00 175.22 177.56 1jch s ASP 10 N -3.23 6.91 0.00 1.36 -1.08 -0.70 0.60 116.67 120.53 1jch s ASP 10 Ca 0.24 2.18 0.00 0.00 -0.52 0.00 0.00 52.55 54.46 1jch s ASP 10 Cb 0.05 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 1jch s ASP 10 CO 0.05 -0.61 0.34 0.29 0.52 0.00 0.00 175.17 175.76 1jch n LYS 11 N 4.25 0.29 0.00 4.34 5.02 -1.21 -1.83 118.16 129.01 1jch n LYS 11 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1jch n LYS 11 Cb 0.44 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1jch n LYS 11 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1jch n SER 12 N 1.04 0.00 -0.00 4.39 7.64 -1.26 -4.92 113.62 120.51 1jch n SER 12 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1jch n SER 12 Cb 0.14 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.22 1jch n SER 12 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1jch n THR 13 N -1.32 0.00 -0.90 0.44 -2.24 -1.19 -4.93 114.28 104.14 1jch n THR 13 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1jch n THR 13 Cb 0.00 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1jch n THR 13 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jch n GLU 14 N -1.60 -1.14 -2.08 -0.78 1.02 -0.76 -4.94 120.64 110.36 1jch n GLU 14 Ca 0.03 0.29 -0.39 0.00 -0.02 0.00 0.00 57.16 57.06 1jch n GLU 14 Cb 0.35 -4.41 -0.01 0.00 -0.02 0.00 0.00 31.44 27.35 1jch n GLU 14 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jch s ASP 15 N -2.06 6.32 0.09 1.62 1.01 -1.26 -4.59 116.67 117.80 1jch s ASP 15 Ca 0.00 2.62 -0.31 0.00 0.71 0.00 0.00 52.55 55.57 1jch s ASP 15 Cb 0.00 -2.64 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 1jch s ASP 15 CO 0.00 -0.84 1.84 0.12 0.21 0.00 0.00 175.17 176.50 1jch s PHE 16 N -1.28 1.93 -0.09 4.23 2.19 -1.26 -1.71 117.98 121.98 1jch s PHE 16 Ca 0.57 -0.10 0.13 0.00 0.33 0.00 0.00 56.93 57.86 1jch s PHE 16 Cb -0.37 -4.16 -0.19 0.00 -1.31 0.00 0.00 43.02 36.98 1jch s PHE 16 CO 0.48 -4.91 0.15 1.17 1.83 0.00 0.00 175.22 173.93 1jch n LYS 17 N 6.24 1.27 0.00 10.12 4.81 0.82 -4.90 118.16 136.52 1jch n LYS 17 Ca 0.18 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1jch n LYS 17 Cb 0.39 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 34.09 1jch n LYS 17 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jch n GLY 18 N 1.97 2.00 3.34 3.14 0.00 -0.30 -4.99 105.19 110.35 1jch n GLY 18 Ca -0.15 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1jch n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jch s GLU 19 N -2.00 0.46 -0.04 1.61 2.12 -1.26 0.04 118.70 119.63 1jch s GLU 19 Ca 0.00 0.85 0.03 0.00 0.36 0.00 0.00 54.97 56.22 1jch s GLU 19 Cb 0.00 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.42 1jch s GLU 19 CO 0.00 -0.15 -0.13 -2.00 -0.54 0.00 0.00 175.26 172.44 1jch s GLU 20 N 1.35 1.40 0.66 4.30 2.12 -0.94 -5.02 118.70 122.57 1jch s GLU 20 Ca -0.09 -0.45 -0.05 0.00 0.36 0.00 0.00 54.97 54.74 1jch s GLU 20 Cb -0.07 -1.24 0.05 0.00 0.26 0.00 0.00 34.13 33.12 1jch s GLU 20 CO -0.13 0.17 0.95 0.71 -0.54 0.00 0.00 175.26 176.42 1jch s TYR 21 N 0.16 2.95 0.39 5.30 1.51 -1.26 -3.31 117.35 123.10 1jch s TYR 21 Ca -0.04 0.38 0.08 0.00 -1.01 0.00 0.00 57.07 56.48 1jch s TYR 21 Cb -0.11 -3.05 -0.03 0.00 -0.11 0.00 0.00 41.96 38.67 1jch s TYR 21 CO 0.01 -1.22 0.28 -1.54 -1.11 0.00 0.00 175.55 171.97 1jch s SER 22 N -4.47 4.85 0.90 2.29 1.04 -1.08 -4.93 113.70 112.29 1jch s SER 22 Ca 0.59 -0.82 -0.11 0.00 0.48 0.00 0.00 55.95 56.09 1jch s SER 22 Cb -0.11 -0.61 0.13 0.00 0.10 0.00 0.00 66.02 65.54 1jch s SER 22 CO 0.44 -0.54 1.10 -1.59 0.98 0.00 0.00 173.24 173.63 1jch s LYS 23 N -4.01 1.17 0.35 4.02 0.00 -1.26 -4.67 119.74 115.34 1jch s LYS 23 Ca 0.44 1.16 -0.23 0.00 0.00 0.00 0.00 55.97 57.34 1jch s LYS 23 Cb -0.01 -1.77 -0.10 0.00 0.00 0.00 0.00 37.83 35.94 1jch s LYS 23 CO 0.25 -2.40 0.91 0.34 0.00 0.00 0.00 175.35 174.45 1jch s ASP 24 N -3.05 7.14 -0.03 0.03 2.15 -1.26 -4.56 116.67 117.09 1jch s ASP 24 Ca 0.65 1.71 0.08 0.00 0.43 0.00 0.00 52.55 55.41 1jch s ASP 24 Cb -0.20 -2.54 0.21 0.00 -0.30 0.00 0.00 42.92 40.10 1jch s ASP 24 CO 0.58 -0.17 1.17 0.49 -0.17 0.00 0.00 175.17 177.07 1jch n PHE 25 N 0.11 0.30 0.00 -5.34 3.01 -0.03 -4.98 117.46 110.52 1jch n PHE 25 Ca 0.03 -0.59 0.00 0.00 1.01 0.00 0.00 57.45 57.90 1jch n PHE 25 Cb 0.52 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 1jch n PHE 25 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jch n GLY 26 N -0.17 3.14 1.37 1.37 0.00 -1.26 0.06 105.19 109.71 1jch n GLY 26 Ca 0.09 0.28 -0.01 0.00 0.00 0.00 0.00 46.02 46.38 1jch n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jch n ASP 27 N 7.20 3.84 -4.55 1.61 8.00 -1.26 -1.81 116.55 129.57 1jch n ASP 27 Ca 0.00 -3.30 -0.43 0.00 0.71 0.00 0.00 54.79 51.77 1jch n ASP 27 Cb 0.00 -0.65 -0.00 0.00 -0.02 0.00 0.00 41.12 40.45 1jch n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jch s ASP 28 N -1.78 6.87 0.60 -2.24 2.15 0.11 -4.79 116.67 117.59 1jch s ASP 28 Ca 0.48 -2.51 0.29 0.00 0.43 0.00 0.00 52.55 51.24 1jch s ASP 28 Cb 0.40 -2.54 1.61 0.00 -0.30 0.00 0.00 42.92 42.09 1jch s ASP 28 CO 0.08 -1.09 2.01 1.23 -0.17 0.00 0.00 175.17 177.22 1jch h GLY 29 N 11.95 0.00 -0.35 2.66 0.00 -1.89 -3.30 103.07 112.13 1jch h GLY 29 Ca 0.41 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.77 1jch h GLY 29 CO 1.41 0.00 -0.19 -1.14 0.00 0.00 0.00 176.54 176.62 1jch n SER 30 N -3.63 -0.34 -0.39 0.19 3.41 -1.26 0.44 113.62 112.04 1jch n SER 30 Ca 0.03 0.63 0.32 0.00 -0.26 0.00 0.00 58.87 59.59 1jch n SER 30 Cb 0.45 -0.10 0.62 0.00 -0.26 0.00 0.00 64.21 64.93 1jch n SER 30 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1jch h VAL 31 N 0.00 0.32 -0.38 -3.33 2.07 -2.01 1.30 116.25 114.21 1jch h VAL 31 Ca 0.07 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 1jch h VAL 31 Cb 0.16 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1jch h VAL 31 CO -0.34 0.03 -0.38 0.24 0.02 0.00 0.00 177.57 177.15 1jch h MET 32 N 0.19 0.93 0.00 1.57 2.86 -0.32 -3.10 114.93 117.06 1jch h MET 32 Ca 0.69 -0.49 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1jch h MET 32 Cb 2.16 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.84 1jch h MET 32 CO -0.28 1.15 -0.07 0.93 1.06 0.00 0.00 176.91 179.70 1jch h GLU 33 N 0.75 0.00 0.00 1.72 5.08 0.17 -0.01 114.58 122.29 1jch h GLU 33 Ca 0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1jch h GLU 33 Cb 0.97 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1jch h GLU 33 CO 0.09 0.07 -0.74 0.77 -1.00 0.00 0.00 179.01 178.20 1jch h SER 34 N 0.00 0.00 0.92 1.42 0.02 -1.37 -3.20 113.55 111.34 1jch h SER 34 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1jch h SER 34 Cb 0.28 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1jch h SER 34 CO 0.01 0.74 -1.10 0.18 -1.14 0.00 0.00 176.83 175.52 1jch n LEU 35 N -3.42 0.82 0.00 5.07 4.77 -0.49 -4.99 117.00 118.75 1jch n LEU 35 Ca 0.00 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1jch n LEU 35 Cb 0.78 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1jch n LEU 35 CO 0.43 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1jch n GLY 36 N 1.22 2.25 3.67 -0.72 0.00 -0.14 -5.04 105.19 106.43 1jch n GLY 36 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1jch n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jch s VAL 37 N -2.46 3.50 0.54 1.61 1.01 -1.18 -4.96 120.40 118.46 1jch s VAL 37 Ca 0.00 0.75 -0.19 0.00 0.00 0.00 0.00 61.98 62.54 1jch s VAL 37 Cb 0.00 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 1jch s VAL 37 CO 0.00 -0.04 1.13 -2.84 0.00 0.00 0.00 175.10 173.35 1jch s PRO 38 N 3.37 3.37 0.07 2.72 0.02 -1.26 -4.51 135.00 138.77 1jch s PRO 38 Ca 0.71 1.61 -0.34 0.00 0.02 0.00 0.00 61.00 63.00 1jch s PRO 38 Cb -0.34 -2.01 -0.19 0.00 0.02 0.00 0.00 34.50 31.98 1jch s PRO 38 CO 0.29 -0.84 1.62 0.74 -0.33 0.00 0.00 177.00 178.48 1jch h PHE 39 N 1.21 -0.91 -0.91 6.54 0.04 -1.97 -3.39 116.94 117.55 1jch h PHE 39 Ca -0.50 -0.02 -0.72 0.00 2.80 0.00 0.00 57.97 59.53 1jch h PHE 39 Cb 1.26 0.30 0.04 0.00 2.20 0.00 0.00 35.95 39.76 1jch h PHE 39 CO 0.51 -0.56 0.07 1.17 -0.60 0.00 0.00 178.31 178.90 1jch n LYS 40 N -5.51 0.00 -3.20 1.51 4.81 -1.26 -1.26 118.16 113.25 1jch n LYS 40 Ca -0.14 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.10 1jch n LYS 40 Cb 0.39 -1.37 -0.01 0.00 0.02 0.00 0.00 35.03 34.07 1jch n LYS 40 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jch n ASP 41 N 1.43 -3.43 0.00 3.14 8.00 -1.26 -4.71 116.55 119.72 1jch n ASP 41 Ca 0.19 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1jch n ASP 41 Cb 0.07 -2.87 0.00 0.00 -0.02 0.00 0.00 41.12 38.30 1jch n ASP 41 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jch n ASN 42 N -2.16 0.14 -4.67 -2.24 3.02 -0.39 -4.82 115.26 104.16 1jch n ASN 42 Ca -0.03 -0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.09 1jch n ASN 42 Cb 0.54 0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.73 1jch n ASN 42 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jch s VAL 43 N -0.07 4.59 -1.95 2.41 1.01 -1.14 -3.14 120.40 122.12 1jch s VAL 43 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.89 1jch s VAL 43 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1jch s VAL 43 CO 0.00 -0.13 0.00 0.59 0.00 0.00 0.00 175.10 175.56 1jch n ASN 44 N 6.10 -5.48 -2.94 3.32 3.02 -0.44 -4.87 115.26 113.96 1jch n ASN 44 Ca 0.12 0.28 -0.15 0.00 -0.03 0.00 0.00 54.58 54.80 1jch n ASN 44 Cb 0.46 -4.73 -0.00 0.00 -0.61 0.00 0.00 39.78 34.90 1jch n ASN 44 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jch n ASN 45 N -1.60 -1.50 0.00 6.41 5.15 -1.19 -5.06 115.26 117.48 1jch n ASN 45 Ca -0.22 -3.06 0.00 0.00 -0.60 0.00 0.00 54.58 50.70 1jch n ASN 45 Cb 0.67 0.75 0.00 0.00 -0.53 0.00 0.00 39.78 40.66 1jch n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jch n GLY 46 N 1.45 4.03 2.58 8.20 0.00 -1.26 -4.28 105.19 115.91 1jch n GLY 46 Ca 0.14 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 1jch n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jch s PHE 48 N -0.42 2.59 -0.11 0.00 0.40 0.25 -4.67 117.98 116.03 1jch s PHE 48 Ca 0.29 1.54 -0.22 0.00 -0.60 0.00 0.00 56.93 57.94 1jch s PHE 48 Cb -0.01 -3.32 -0.03 0.00 0.51 0.00 0.00 43.02 40.17 1jch s PHE 48 CO -0.18 -1.76 0.66 0.16 0.70 0.00 0.00 175.22 174.81 1jch s ASP 49 N -1.86 6.88 -0.08 1.36 1.47 -1.26 0.80 116.67 123.98 1jch s ASP 49 Ca 0.73 1.06 -0.30 0.00 1.18 0.00 0.00 52.55 55.22 1jch s ASP 49 Cb -0.25 -2.38 -0.05 0.00 -0.34 0.00 0.00 42.92 39.90 1jch s ASP 49 CO 0.31 -0.15 1.65 -0.69 0.68 0.00 0.00 175.17 176.98 1jch s VAL 50 N 1.07 3.59 -0.16 2.11 1.01 -0.30 -4.88 120.40 122.84 1jch s VAL 50 Ca 0.34 0.71 -0.05 0.00 0.00 0.00 0.00 61.98 62.98 1jch s VAL 50 Cb -0.17 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1jch s VAL 50 CO 0.15 -0.09 0.00 -0.51 0.00 0.00 0.00 175.10 174.66 1jch s ILE 51 N 4.23 4.27 0.00 2.22 1.10 -1.26 -4.71 121.20 127.05 1jch s ILE 51 Ca 0.73 -0.22 0.00 0.00 -0.51 0.00 0.00 60.65 60.65 1jch s ILE 51 Cb -0.32 -2.89 0.00 0.00 0.15 0.00 0.00 42.46 39.40 1jch s ILE 51 CO 0.29 0.49 0.00 0.00 -2.11 0.00 0.00 174.94 173.61 1jch n ALA 52 N 3.44 0.00 -0.62 1.50 0.00 -1.26 0.25 120.51 123.82 1jch n ALA 52 Ca -0.17 0.00 0.49 0.00 0.00 0.00 0.00 53.44 53.76 1jch n ALA 52 Cb 0.52 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.75 1jch n ALA 52 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1jch h GLU 53 N 0.00 0.01 0.11 0.00 9.09 -2.02 0.25 114.58 122.02 1jch h GLU 53 Ca 0.00 -0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.15 1jch h GLU 53 Cb 0.00 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1jch h GLU 53 CO 0.00 0.00 -1.20 -1.49 0.05 0.00 0.00 179.01 176.37 1jch h TRP 54 N 0.01 0.42 -0.92 2.06 4.06 0.30 -3.40 115.95 118.49 1jch h TRP 54 Ca 0.90 -0.31 0.10 0.00 2.06 0.00 0.00 58.89 61.65 1jch h TRP 54 Cb 3.43 -0.02 -0.12 0.00 -1.00 0.00 0.00 29.16 31.45 1jch h TRP 54 CO -0.00 1.24 -0.48 0.28 -3.56 0.00 0.00 178.44 175.92 1jch n VAL 55 N -3.51 -0.58 -0.26 1.49 0.31 0.88 0.57 118.33 117.23 1jch n VAL 55 Ca -0.07 2.20 0.25 0.00 -0.01 0.00 0.00 64.34 66.71 1jch n VAL 55 Cb 1.01 -2.78 0.61 0.00 -0.91 0.00 0.00 33.84 31.77 1jch n VAL 55 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1jch h PRO 56 N 0.00 0.22 0.00 5.55 0.11 -1.77 0.48 132.00 136.59 1jch h PRO 56 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1jch h PRO 56 Cb 0.43 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1jch h PRO 56 CO -0.88 0.15 -1.18 1.28 -0.21 0.00 0.00 178.00 177.16 1jch n LEU 57 N -4.43 0.57 -0.11 2.35 4.32 0.19 -4.51 117.00 115.38 1jch n LEU 57 Ca 0.22 0.03 -0.23 0.00 -0.02 0.00 0.00 56.01 56.01 1jch n LEU 57 Cb 0.91 -0.07 -0.11 0.00 -1.62 0.00 0.00 43.42 42.53 1jch n LEU 57 CO 0.33 0.00 -0.66 0.18 -1.22 0.00 0.00 177.39 176.02 1jch n LEU 58 N -2.12 1.87 -0.23 2.23 4.77 0.84 -4.40 117.00 119.96 1jch n LEU 58 Ca 0.01 0.41 0.22 0.00 -0.03 0.00 0.00 56.01 56.61 1jch n LEU 58 Cb 0.47 -0.94 0.39 0.00 -2.33 0.00 0.00 43.42 41.01 1jch n LEU 58 CO 0.41 0.32 0.70 1.67 -1.33 0.00 0.00 177.39 179.16 1jch n GLN 59 N -4.41 -0.04 0.00 3.23 -0.06 0.13 -0.43 117.38 115.81 1jch n GLN 59 Ca -0.35 0.87 0.00 0.00 -2.00 0.00 0.00 57.00 55.51 1jch n GLN 59 Cb 0.71 -1.59 0.00 0.00 -4.06 0.00 0.00 30.24 25.30 1jch n GLN 59 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1jch n PRO 60 N -4.35 0.00 0.00 3.69 -0.02 -1.26 -2.17 135.00 130.89 1jch n PRO 60 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1jch n PRO 60 Cb 0.87 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 1jch n PRO 60 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jch n TYR 61 N -0.26 0.00 -3.84 6.00 4.01 0.43 -5.06 117.16 118.44 1jch n TYR 61 Ca 0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 1jch n TYR 61 Cb 0.00 0.05 -0.17 0.00 -0.31 0.00 0.00 39.34 38.91 1jch n TYR 61 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1jch s PHE 62 N 0.00 1.24 0.00 -0.72 0.08 -0.92 -4.59 117.98 113.07 1jch s PHE 62 Ca 0.00 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.40 1jch s PHE 62 Cb 0.00 -1.10 0.00 0.00 -0.57 0.00 0.00 43.02 41.35 1jch s PHE 62 CO 0.00 -0.49 0.28 0.09 -0.10 0.00 0.00 175.22 175.00 1jch n ASN 63 N 5.00 0.76 -3.90 1.36 3.02 -1.26 -4.62 115.26 115.62 1jch n ASN 63 Ca -0.10 -1.07 -0.24 0.00 -0.03 0.00 0.00 54.58 53.13 1jch n ASN 63 Cb 0.49 -0.16 -0.17 0.00 -0.61 0.00 0.00 39.78 39.34 1jch n ASN 63 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1jch s HIS 64 N 1.57 1.12 -0.49 3.10 2.46 -1.26 -5.07 115.29 116.71 1jch s HIS 64 Ca 0.00 -0.44 -0.27 0.00 0.47 0.00 0.00 55.06 54.81 1jch s HIS 64 Cb 0.00 -0.97 -0.02 0.00 -0.13 0.00 0.00 32.58 31.46 1jch s HIS 64 CO 0.00 -0.35 1.89 -1.14 -2.47 0.00 0.00 174.74 172.68 1jch s GLN 65 N 1.36 2.84 -1.11 2.88 2.00 -1.26 -4.85 119.66 121.52 1jch s GLN 65 Ca -0.03 0.99 -0.24 0.00 -2.00 0.00 0.00 55.36 54.08 1jch s GLN 65 Cb -0.14 -4.34 -0.12 0.00 0.80 0.00 0.00 33.01 29.21 1jch s GLN 65 CO -0.03 -2.46 2.01 0.42 -0.50 0.00 0.00 175.29 174.72 1jch s ILE 66 N 8.59 3.37 -1.14 -2.34 1.01 -1.26 -4.86 121.20 124.57 1jch s ILE 66 Ca 0.75 -0.58 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 1jch s ILE 66 Cb -0.17 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 1jch s ILE 66 CO 0.26 -0.68 1.84 -0.62 0.00 0.00 0.00 174.94 175.74 1jch s ASP 67 N 7.43 5.61 0.00 3.58 2.15 -1.26 -4.76 116.67 129.42 1jch s ASP 67 Ca 0.73 -1.62 0.00 0.00 0.43 0.00 0.00 52.55 52.09 1jch s ASP 67 Cb -0.03 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1jch s ASP 67 CO 0.13 -2.43 0.65 2.30 -0.17 0.00 0.00 175.17 175.65 1jch n ILE 68 N 7.41 0.00 0.25 4.11 -5.35 -1.26 -1.39 119.36 123.14 1jch n ILE 68 Ca 0.44 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.94 1jch n ILE 68 Cb 0.47 -0.26 -0.01 0.00 -1.74 0.00 0.00 39.64 38.10 1jch n ILE 68 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1jch n SER 69 N -0.21 0.66 -0.00 7.28 3.41 -1.26 -4.54 113.62 118.96 1jch n SER 69 Ca 0.00 -0.83 0.01 0.00 -0.26 0.00 0.00 58.87 57.79 1jch n SER 69 Cb 0.11 0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 64.73 1jch n SER 69 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jch n ASP 70 N -0.66 2.95 -4.17 4.04 2.03 -0.89 -5.00 116.55 114.85 1jch n ASP 70 Ca 0.02 -0.20 -0.11 0.00 0.52 0.00 0.00 54.79 55.02 1jch n ASP 70 Cb 0.11 1.06 -0.10 0.00 -0.72 0.00 0.00 41.12 41.47 1jch n ASP 70 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1jch s ASN 71 N -1.85 0.20 -0.09 1.67 0.01 -0.48 -3.33 114.94 111.06 1jch s ASN 71 Ca -0.00 -1.31 -0.01 0.00 -0.71 0.00 0.00 52.86 50.83 1jch s ASN 71 Cb 0.01 0.36 -0.03 0.00 0.41 0.00 0.00 41.25 42.00 1jch s ASN 71 CO 0.08 -0.81 -0.03 -1.61 -1.51 0.00 0.00 177.10 173.22 1jch s GLU 72 N -4.11 3.04 0.05 -0.60 2.02 0.20 -4.54 118.70 114.76 1jch s GLU 72 Ca 0.33 -0.49 0.09 0.00 0.02 0.00 0.00 54.97 54.92 1jch s GLU 72 Cb 0.07 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.53 1jch s GLU 72 CO 0.08 0.59 -0.25 0.71 0.02 0.00 0.00 175.26 176.41 1jch s TYR 73 N -0.58 2.16 0.04 1.61 1.51 -1.26 -1.61 117.35 119.22 1jch s TYR 73 Ca 0.09 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1jch s TYR 73 Cb -0.12 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1jch s TYR 73 CO 0.02 0.12 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.46 1jch s PHE 74 N -0.81 0.55 -0.01 2.71 0.40 0.53 -1.15 117.98 120.20 1jch s PHE 74 Ca 0.10 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1jch s PHE 74 Cb -0.10 -0.34 0.00 0.00 0.51 0.00 0.00 43.02 43.09 1jch s PHE 74 CO 0.02 -0.13 -0.04 0.54 0.70 0.00 0.00 175.22 176.31 1jch s VAL 75 N -1.63 0.36 -0.02 -0.44 0.11 0.24 -1.37 120.40 117.65 1jch s VAL 75 Ca -0.10 -0.16 0.05 0.00 -2.93 0.00 0.00 61.98 58.84 1jch s VAL 75 Cb -0.08 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1jch s VAL 75 CO -0.01 0.12 -0.17 -0.94 -3.33 0.00 0.00 175.10 170.77 1jch s SER 76 N 0.09 2.03 -0.96 3.54 1.04 0.18 -0.58 113.70 119.04 1jch s SER 76 Ca -0.01 -0.32 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 1jch s SER 76 Cb -0.04 -0.29 0.25 0.00 0.10 0.00 0.00 66.02 66.04 1jch s SER 76 CO -0.00 0.20 0.92 -0.36 0.98 0.00 0.00 173.24 174.98 1jch s PHE 77 N -0.32 4.00 0.09 5.02 0.08 -1.26 0.11 117.98 125.68 1jch s PHE 77 Ca 0.05 -2.31 -0.21 0.00 0.12 0.00 0.00 56.93 54.58 1jch s PHE 77 Cb -0.07 -3.83 -0.07 0.00 -0.57 0.00 0.00 43.02 38.48 1jch s PHE 77 CO -0.00 -0.97 0.62 -0.51 -0.10 0.00 0.00 175.22 174.25 1jch s ASP 78 N 1.78 7.13 -0.09 1.36 1.01 -0.65 -1.32 116.67 125.88 1jch s ASP 78 Ca 0.24 1.34 -0.01 0.00 0.71 0.00 0.00 52.55 54.82 1jch s ASP 78 Cb -0.10 -2.39 0.03 0.00 1.01 0.00 0.00 42.92 41.47 1jch s ASP 78 CO -0.09 0.24 0.00 -0.47 0.21 0.00 0.00 175.17 175.07 1jch s TYR 79 N -1.02 0.74 -0.08 4.23 6.14 -1.26 0.82 117.35 126.92 1jch s TYR 79 Ca 0.31 -0.26 0.03 0.00 0.64 0.00 0.00 57.07 57.79 1jch s TYR 79 Cb -0.20 -0.84 0.00 0.00 0.42 0.00 0.00 41.96 41.34 1jch s TYR 79 CO 0.20 -0.37 -0.18 1.03 0.64 0.00 0.00 175.55 176.88 1jch s ARG 80 N 1.95 2.28 0.48 4.97 0.52 -0.89 -4.83 118.95 123.44 1jch s ARG 80 Ca 0.04 -0.65 -0.23 0.00 -0.52 0.00 0.00 55.73 54.38 1jch s ARG 80 Cb -0.13 -1.81 -0.08 0.00 0.52 0.00 0.00 34.95 33.45 1jch s ARG 80 CO -0.06 0.13 1.08 -0.25 0.02 0.00 0.00 175.30 176.23 1jch n ASP 81 N 3.56 1.51 0.00 0.23 9.92 -1.26 -1.41 116.55 129.10 1jch n ASP 81 Ca -0.20 0.98 0.00 0.00 -0.53 0.00 0.00 54.79 55.04 1jch n ASP 81 Cb 0.52 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 1jch n ASP 81 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jch n GLY 82 N 1.10 -0.18 3.93 0.44 0.00 -1.26 -4.77 105.19 104.45 1jch n GLY 82 Ca 0.10 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 1jch n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jch s ASP 83 N -4.00 6.36 0.00 1.61 1.01 -1.26 -4.37 116.67 116.01 1jch s ASP 83 Ca 0.00 0.42 0.00 0.00 0.71 0.00 0.00 52.55 53.68 1jch s ASP 83 Cb 0.00 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.91 1jch s ASP 83 CO 0.00 -0.15 0.00 -2.67 0.21 0.00 0.00 175.17 172.56