#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jif s VAL 2 N 0.00 5.26 -0.04 1.12 1.01 -1.26 -5.07 120.40 121.43 1jif s VAL 2 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1jif s VAL 2 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1jif s VAL 2 CO 0.00 0.32 0.10 -0.75 0.00 0.00 0.00 175.10 174.76 1jif s LYS 3 N 0.95 3.19 -0.29 2.72 2.20 -1.26 -5.08 119.74 122.18 1jif s LYS 3 Ca 0.16 -0.38 -0.21 0.00 -0.36 0.00 0.00 55.97 55.19 1jif s LYS 3 Cb -0.14 -2.95 -0.01 0.00 -1.51 0.00 0.00 37.83 33.22 1jif s LYS 3 CO 0.06 0.69 0.66 -0.06 -0.36 0.00 0.00 175.35 176.33 1jif s PHE 4 N -1.14 3.24 -0.16 4.03 0.40 -1.26 -4.97 117.98 118.12 1jif s PHE 4 Ca 0.21 0.71 0.17 0.00 -0.60 0.00 0.00 56.93 57.42 1jif s PHE 4 Cb -0.12 -2.98 -0.25 0.00 0.51 0.00 0.00 43.02 40.18 1jif s PHE 4 CO 0.11 -0.44 0.25 1.28 0.70 0.00 0.00 175.22 177.12 1jif n LEU 5 N 5.88 0.20 0.00 -0.37 4.77 -1.26 -5.07 117.00 121.15 1jif n LEU 5 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1jif n LEU 5 Cb 0.49 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 1jif n LEU 5 CO 0.46 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1jif n GLY 6 N 1.66 0.50 3.03 -0.72 0.00 -1.26 -5.17 105.19 103.23 1jif n GLY 6 Ca -0.27 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1jif n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jif s ALA 7 N -2.00 0.39 -0.20 4.61 0.00 -1.26 -5.14 121.76 118.17 1jif s ALA 7 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 1jif s ALA 7 Cb 0.00 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.26 1jif s ALA 7 CO 0.00 -0.07 -0.02 0.08 0.00 0.00 0.00 175.76 175.75 1jif s VAL 8 N -1.37 0.99 0.69 0.00 1.01 -1.26 -4.79 120.40 115.67 1jif s VAL 8 Ca -0.12 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 1jif s VAL 8 Cb -0.10 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1jif s VAL 8 CO -0.00 -0.08 1.12 -2.84 0.00 0.00 0.00 175.10 173.30 1jif s PRO 9 N 1.66 2.58 -0.21 2.72 0.02 -1.26 -4.83 135.00 135.68 1jif s PRO 9 Ca -0.02 1.39 -0.00 0.00 0.02 0.00 0.00 61.00 62.39 1jif s PRO 9 Cb -0.17 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.45 1jif s PRO 9 CO -0.07 -1.42 -0.14 0.08 -0.33 0.00 0.00 177.00 175.12 1jif s VAL 10 N -2.41 2.43 0.58 3.83 1.01 -1.26 -1.12 120.40 123.46 1jif s VAL 10 Ca 0.67 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1jif s VAL 10 Cb -0.21 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1jif s VAL 10 CO 0.45 0.40 0.95 -0.76 0.00 0.00 0.00 175.10 176.13 1jif s LEU 11 N 1.31 3.34 0.21 3.92 1.43 0.39 -4.89 118.68 124.38 1jif s LEU 11 Ca 0.03 1.20 0.10 0.00 -1.03 0.00 0.00 54.13 54.43 1jif s LEU 11 Cb -0.15 -4.19 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 1jif s LEU 11 CO -0.09 -0.82 -0.20 0.42 0.23 0.00 0.00 176.35 175.89 1jif s THR 12 N -3.04 2.18 -0.16 5.49 -4.23 -1.26 -0.75 115.64 113.87 1jif s THR 12 Ca 0.53 -2.14 -0.21 0.00 -1.18 0.00 0.00 61.69 58.68 1jif s THR 12 Cb -0.11 -2.10 0.05 0.00 1.34 0.00 0.00 72.50 71.69 1jif s THR 12 CO 0.50 -0.32 0.56 0.00 -0.54 0.00 0.00 174.62 174.83 1jif s ALA 13 N -2.19 -1.40 0.14 3.99 0.00 -0.46 -4.72 121.76 117.12 1jif s ALA 13 Ca 0.23 1.42 -0.05 0.00 0.00 0.00 0.00 51.96 53.55 1jif s ALA 13 Cb -0.06 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.34 1jif s ALA 13 CO 0.10 -0.28 1.35 0.28 0.00 0.00 0.00 175.76 177.20 1jif h VAL 14 N 3.99 1.36 -3.50 0.00 2.07 -1.88 -0.78 116.25 117.51 1jif h VAL 14 Ca -0.28 -2.24 -0.68 0.00 0.82 0.00 0.00 66.70 64.32 1jif h VAL 14 Cb 1.17 2.23 -0.37 0.00 -1.52 0.00 0.00 31.29 32.79 1jif h VAL 14 CO 0.21 0.68 -0.46 -0.62 0.02 0.00 0.00 177.57 177.40 1jif s ASP 15 N -7.06 4.99 0.07 0.57 -1.08 -1.26 -4.73 116.67 108.17 1jif s ASP 15 Ca -0.07 -2.79 -0.22 0.00 -0.52 0.00 0.00 52.55 48.95 1jif s ASP 15 Cb 0.09 -1.79 -0.12 0.00 -1.46 0.00 0.00 42.92 39.64 1jif s ASP 15 CO 0.87 -0.35 1.58 0.58 0.52 0.00 0.00 175.17 178.37 1jif h VAL 16 N 5.48 1.18 -0.40 1.11 2.07 -1.78 -2.75 116.25 121.16 1jif h VAL 16 Ca -0.04 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1jif h VAL 16 Cb 0.95 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1jif h VAL 16 CO 0.70 0.16 0.11 -0.65 0.02 0.00 0.00 177.57 177.91 1jif h PRO 17 N 0.01 0.59 -0.71 1.57 0.11 -1.85 0.56 132.00 132.28 1jif h PRO 17 Ca 0.04 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 1jif h PRO 17 Cb 0.21 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 1jif h PRO 17 CO -0.00 0.53 0.23 0.00 -0.21 0.00 0.00 178.00 178.54 1jif h ALA 18 N 1.55 1.06 -0.22 -0.75 0.00 -1.99 -0.71 119.26 118.20 1jif h ALA 18 Ca 0.14 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1jif h ALA 18 Cb 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1jif h ALA 18 CO -0.01 0.64 -0.61 -0.97 0.00 0.00 0.00 179.25 178.30 1jif h ASN 19 N 1.05 0.86 -0.79 0.00 -1.24 -0.98 -2.89 115.58 111.59 1jif h ASN 19 Ca 0.23 -0.49 0.00 0.00 0.71 0.00 0.00 56.30 56.75 1jif h ASN 19 Cb 0.29 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 39.05 1jif h ASN 19 CO -0.01 1.27 0.51 0.58 -1.29 0.00 0.00 177.43 178.49 1jif h VAL 20 N 0.56 1.21 -0.73 2.57 2.07 -0.75 -2.25 116.25 118.93 1jif h VAL 20 Ca -0.00 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.17 1jif h VAL 20 Cb 1.21 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1jif h VAL 20 CO 0.13 0.21 0.48 0.28 0.02 0.00 0.00 177.57 178.69 1jif h SER 21 N 1.08 0.67 0.42 0.57 0.02 -0.98 -0.11 113.55 115.23 1jif h SER 21 Ca 0.29 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1jif h SER 21 Cb -0.10 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.31 1jif h SER 21 CO -0.06 0.44 -0.20 0.15 -1.14 0.00 0.00 176.83 176.02 1jif h PHE 22 N 0.77 -0.52 -0.99 3.45 3.57 -1.22 0.71 116.94 122.70 1jif h PHE 22 Ca 0.31 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.88 1jif h PHE 22 Cb 0.25 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 1jif h PHE 22 CO -0.00 -0.26 0.63 -1.49 -2.23 0.00 0.00 178.31 174.96 1jif h TRP 23 N -0.70 1.16 0.00 0.41 4.06 -1.12 -1.50 115.95 118.27 1jif h TRP 23 Ca -0.06 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1jif h TRP 23 Cb 0.50 -0.38 0.00 0.00 -1.00 0.00 0.00 29.16 28.28 1jif h TRP 23 CO -0.02 0.57 -0.03 0.28 -3.56 0.00 0.00 178.44 175.69 1jif h VAL 24 N 1.12 0.00 -0.18 1.49 2.07 -0.97 -0.36 116.25 119.42 1jif h VAL 24 Ca 0.44 -0.96 -0.16 0.00 0.82 0.00 0.00 66.70 66.84 1jif h VAL 24 Cb 0.23 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1jif h VAL 24 CO -0.19 0.00 -0.56 0.44 0.02 0.00 0.00 177.57 177.28 1jif h ASP 25 N -0.96 0.61 0.01 0.57 3.32 0.37 -2.09 116.42 118.25 1jif h ASP 25 Ca 0.00 -0.33 -0.40 0.00 0.02 0.00 0.00 57.03 56.32 1jif h ASP 25 Cb 0.03 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 1jif h ASP 25 CO 0.00 1.04 -2.30 0.41 -1.72 0.00 0.00 179.24 176.68 1jif n THR 26 N -3.95 1.54 1.23 0.35 -1.04 -0.67 -4.51 114.28 107.23 1jif n THR 26 Ca -0.03 -0.41 0.13 0.00 -2.04 0.00 0.00 64.05 61.69 1jif n THR 26 Cb 0.61 -1.76 0.34 0.00 -1.82 0.00 0.00 70.33 67.70 1jif n THR 26 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1jif n LEU 27 N -3.92 1.20 0.00 -4.42 4.77 -0.66 -4.95 117.00 109.02 1jif n LEU 27 Ca -0.47 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1jif n LEU 27 Cb 0.90 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1jif n LEU 27 CO 0.16 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1jif n GLY 28 N 1.34 0.64 3.90 -0.72 0.00 -0.79 -4.94 105.19 104.62 1jif n GLY 28 Ca 0.12 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1jif n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jif s PHE 29 N -2.00 2.98 -0.10 1.61 0.40 -0.20 -4.96 117.98 115.71 1jif s PHE 29 Ca 0.00 0.73 -0.01 0.00 -0.60 0.00 0.00 56.93 57.05 1jif s PHE 29 Cb 0.00 -3.40 -0.03 0.00 0.51 0.00 0.00 43.02 40.10 1jif s PHE 29 CO 0.00 -1.66 -0.03 -1.21 0.70 0.00 0.00 175.22 173.02 1jif s GLU 30 N -5.50 3.06 -0.13 0.44 2.02 0.66 -4.33 118.70 114.91 1jif s GLU 30 Ca 0.61 -0.48 -0.29 0.00 0.02 0.00 0.00 54.97 54.82 1jif s GLU 30 Cb -0.11 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.36 1jif s GLU 30 CO 0.49 0.58 1.05 0.21 0.02 0.00 0.00 175.26 177.60 1jif s LYS 31 N -0.56 4.37 -0.11 1.61 2.20 -1.26 -0.24 119.74 125.75 1jif s LYS 31 Ca 0.09 1.42 -0.16 0.00 -0.36 0.00 0.00 55.97 56.97 1jif s LYS 31 Cb -0.12 -3.58 -0.27 0.00 -1.51 0.00 0.00 37.83 32.36 1jif s LYS 31 CO 0.02 -0.42 0.54 -0.44 -0.36 0.00 0.00 175.35 174.68 1jif h ASP 32 N 7.26 0.36 -5.27 1.43 5.19 -1.55 -3.48 116.42 120.37 1jif h ASP 32 Ca -0.28 -0.84 0.15 0.00 -0.62 0.00 0.00 57.03 55.44 1jif h ASP 32 Cb 1.12 -0.12 -0.07 0.00 0.18 0.00 0.00 39.33 40.45 1jif h ASP 32 CO 0.89 1.62 0.44 0.72 -3.12 0.00 0.00 179.24 179.79 1jif s PHE 33 N -2.47 -0.12 0.00 4.55 -0.12 -1.20 -4.97 117.98 113.65 1jif s PHE 33 Ca -0.20 -0.23 0.00 0.00 -0.05 0.00 0.00 56.93 56.45 1jif s PHE 33 Cb 0.04 0.66 0.00 0.00 -0.63 0.00 0.00 43.02 43.10 1jif s PHE 33 CO 0.76 -0.93 0.00 0.41 -0.05 0.00 0.00 175.22 175.41 1jif n GLY 34 N -0.49 4.17 0.00 1.99 0.00 -1.26 -0.97 105.19 108.63 1jif n GLY 34 Ca -0.06 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1jif n GLY 34 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jif n ASP 35 N 0.00 0.19 0.18 1.61 5.68 -0.15 -4.96 116.55 119.11 1jif n ASP 35 Ca 0.00 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.43 1jif n ASP 35 Cb 0.00 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 40.51 1jif n ASP 35 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1jif h ARG 36 N 0.00 0.00 0.00 0.11 3.08 -2.01 -3.28 114.38 112.28 1jif h ARG 36 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 1jif h ARG 36 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1jif h ARG 36 CO 0.00 0.00 -2.34 -0.25 -1.07 0.00 0.00 179.97 176.31 1jif n ASP 37 N -2.57 0.02 -3.62 7.04 8.00 -1.26 -4.46 116.55 119.70 1jif n ASP 37 Ca 0.02 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.38 1jif n ASP 37 Cb 0.29 1.11 -0.07 0.00 -0.02 0.00 0.00 41.12 42.44 1jif n ASP 37 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1jif s PHE 38 N -2.61 -0.72 0.13 1.24 5.36 -1.24 -1.68 117.98 118.46 1jif s PHE 38 Ca -0.10 1.69 -0.11 0.00 -0.96 0.00 0.00 56.93 57.45 1jif s PHE 38 Cb 0.07 0.30 0.01 0.00 -0.34 0.00 0.00 43.02 43.06 1jif s PHE 38 CO 0.84 -0.39 0.30 0.00 -1.46 0.00 0.00 175.22 174.51 1jif s ALA 39 N 0.13 -0.39 -0.00 11.12 0.00 0.39 -0.97 121.76 132.04 1jif s ALA 39 Ca -0.01 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1jif s ALA 39 Cb -0.04 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 1jif s ALA 39 CO 0.01 -0.61 -0.12 0.20 0.00 0.00 0.00 175.76 175.24 1jif s GLY 40 N -2.88 0.62 0.34 0.00 0.00 -0.14 -0.08 107.32 105.17 1jif s GLY 40 Ca 0.08 -0.57 0.07 0.00 0.00 0.00 0.00 44.72 44.31 1jif s GLY 40 CO -0.07 -0.49 -0.04 -1.34 0.00 0.00 0.00 173.10 171.16 1jif s VAL 41 N -0.37 1.84 0.08 1.40 -7.23 0.98 -1.37 120.40 115.74 1jif s VAL 41 Ca 0.04 -2.10 -0.17 0.00 -1.81 0.00 0.00 61.98 57.94 1jif s VAL 41 Cb -0.05 -2.68 0.03 0.00 0.56 0.00 0.00 36.38 34.24 1jif s VAL 41 CO -0.00 -0.16 0.40 -0.60 -0.31 0.00 0.00 175.10 174.43 1jif s ARG 42 N -3.71 0.98 -0.24 4.82 3.52 0.67 -0.58 118.95 124.41 1jif s ARG 42 Ca 0.33 -0.53 -0.13 0.00 -0.13 0.00 0.00 55.73 55.26 1jif s ARG 42 Cb 0.05 0.43 0.07 0.00 -1.56 0.00 0.00 34.95 33.95 1jif s ARG 42 CO 0.15 -0.35 0.58 0.50 -0.81 0.00 0.00 175.30 175.37 1jif s ARG 43 N -3.08 0.59 5.62 5.12 3.52 -0.78 -0.25 118.95 129.69 1jif s ARG 43 Ca -0.01 1.08 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 1jif s ARG 43 Cb 0.01 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.50 1jif s ARG 43 CO -0.07 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 1jif n GLY 44 N 4.35 2.56 0.58 8.12 0.00 -1.26 -1.55 105.19 117.99 1jif n GLY 44 Ca -0.21 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.45 1jif n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jif n ASP 45 N 1.13 1.71 -4.55 1.61 8.00 -1.26 -4.93 116.55 118.26 1jif n ASP 45 Ca 0.00 -1.83 -0.24 0.00 0.71 0.00 0.00 54.79 53.43 1jif n ASP 45 Cb 0.00 -0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 40.85 1jif n ASP 45 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1jif s ILE 46 N -1.68 2.63 0.06 0.53 -5.25 -0.60 -5.13 121.20 111.77 1jif s ILE 46 Ca 0.28 -2.19 0.04 0.00 -0.99 0.00 0.00 60.65 57.78 1jif s ILE 46 Cb 0.15 -2.56 -0.03 0.00 2.95 0.00 0.00 42.46 42.97 1jif s ILE 46 CO 0.21 -0.31 -0.11 -0.13 -1.79 0.00 0.00 174.94 172.81 1jif s ARG 47 N -3.60 0.71 -0.01 0.37 0.52 -1.26 -1.87 118.95 113.81 1jif s ARG 47 Ca 0.32 -0.90 0.02 0.00 -0.52 0.00 0.00 55.73 54.65 1jif s ARG 47 Cb -0.03 -0.58 -0.00 0.00 0.52 0.00 0.00 34.95 34.86 1jif s ARG 47 CO 0.17 0.12 -0.07 -0.51 0.02 0.00 0.00 175.30 175.03 1jif s LEU 48 N -1.75 1.94 0.21 2.53 1.43 0.25 -4.26 118.68 119.04 1jif s LEU 48 Ca -0.04 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 52.97 1jif s LEU 48 Cb -0.09 -0.39 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 1jif s LEU 48 CO 0.01 0.08 0.24 -1.00 0.23 0.00 0.00 176.35 175.91 1jif s HIS 49 N -0.06 3.27 -0.10 0.29 3.76 -0.27 -0.01 115.29 122.17 1jif s HIS 49 Ca 0.01 -0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 54.88 1jif s HIS 49 Cb -0.04 -1.51 0.03 0.00 1.11 0.00 0.00 32.58 32.17 1jif s HIS 49 CO -0.00 0.50 0.00 0.42 -0.85 0.00 0.00 174.74 174.81 1jif s ILE 50 N -1.95 0.45 -0.00 0.60 1.01 0.88 -0.46 121.20 121.72 1jif s ILE 50 Ca 0.33 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.99 1jif s ILE 50 Cb -0.09 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 1jif s ILE 50 CO 0.26 0.18 -0.11 -0.55 0.00 0.00 0.00 174.94 174.73 1jif s SER 51 N 1.93 4.33 0.35 3.58 0.15 0.07 -0.46 113.70 123.66 1jif s SER 51 Ca 0.04 -0.21 -0.27 0.00 0.70 0.00 0.00 55.95 56.21 1jif s SER 51 Cb -0.13 -0.94 -0.09 0.00 -1.71 0.00 0.00 66.02 63.15 1jif s SER 51 CO -0.06 0.29 1.15 -0.60 1.20 0.00 0.00 173.24 175.22 1jif s ARG 52 N -1.26 4.33 0.08 5.44 3.52 -0.68 -1.36 118.95 129.03 1jif s ARG 52 Ca 0.15 1.83 0.03 0.00 -0.13 0.00 0.00 55.73 57.62 1jif s ARG 52 Cb -0.11 -2.90 -0.03 0.00 -1.56 0.00 0.00 34.95 30.34 1jif s ARG 52 CO 0.05 -0.08 -0.09 -0.08 -0.81 0.00 0.00 175.30 174.29 1jif s THR 53 N -1.32 0.81 -0.71 4.11 -1.32 -0.30 -4.80 115.64 112.11 1jif s THR 53 Ca 0.51 -1.54 0.24 0.00 -1.21 0.00 0.00 61.69 59.70 1jif s THR 53 Cb -0.31 -1.22 0.04 0.00 -1.51 0.00 0.00 72.50 69.49 1jif s THR 53 CO 0.40 -0.55 1.33 -0.62 -2.21 0.00 0.00 174.62 172.97 1jif n GLU 54 N 0.71 0.23 -3.87 7.08 -0.58 -1.26 -4.06 120.64 118.89 1jif n GLU 54 Ca -0.17 0.06 -0.35 0.00 -0.42 0.00 0.00 57.16 56.28 1jif n GLU 54 Cb 0.57 -1.64 -0.14 0.00 -0.57 0.00 0.00 31.44 29.66 1jif n GLU 54 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1jif s HIS 55 N -3.13 3.01 0.44 -0.32 3.76 -1.26 -4.97 115.29 112.81 1jif s HIS 55 Ca 0.07 -0.92 0.13 0.00 -0.15 0.00 0.00 55.06 54.20 1jif s HIS 55 Cb 0.14 -2.14 0.96 0.00 1.11 0.00 0.00 32.58 32.66 1jif s HIS 55 CO 0.72 -0.54 1.98 0.37 -0.85 0.00 0.00 174.74 176.42 1jif h GLN 56 N 8.14 0.05 0.00 1.40 5.75 -1.99 -1.82 115.11 126.63 1jif h GLN 56 Ca -0.39 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.06 1jif h GLN 56 Cb 1.15 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 1jif h GLN 56 CO 0.60 0.22 -0.20 0.97 -2.65 0.00 0.00 178.83 177.76 1jif h ILE 57 N 0.04 0.90 -0.52 2.39 2.10 -1.97 -0.44 117.51 120.01 1jif h ILE 57 Ca 0.01 -0.77 -0.03 0.00 1.08 0.00 0.00 64.86 65.15 1jif h ILE 57 Cb 0.33 1.45 -0.02 0.00 -1.09 0.00 0.00 36.82 37.48 1jif h ILE 57 CO 0.02 0.20 0.22 0.58 -1.08 0.00 0.00 178.15 178.09 1jif h VAL 58 N 0.00 1.21 -0.36 2.19 2.07 -1.75 -2.85 116.25 116.76 1jif h VAL 58 Ca -0.00 -0.63 -0.15 0.00 0.82 0.00 0.00 66.70 66.73 1jif h VAL 58 Cb 0.43 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1jif h VAL 58 CO 0.03 0.24 -0.37 0.00 0.02 0.00 0.00 177.57 177.49 1jif h ALA 59 N 1.06 0.66 0.00 1.67 0.00 -1.42 -2.10 119.26 119.13 1jif h ALA 59 Ca 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1jif h ALA 59 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1jif h ALA 59 CO -0.02 0.67 0.00 -0.25 0.00 0.00 0.00 179.25 179.65 1jif n ASP 60 N -4.06 0.00 -0.08 0.00 8.00 -0.26 -2.32 116.55 117.84 1jif n ASP 60 Ca -0.02 -0.25 0.04 0.00 0.71 0.00 0.00 54.79 55.27 1jif n ASP 60 Cb 0.53 -0.13 0.05 0.00 -0.02 0.00 0.00 41.12 41.55 1jif n ASP 60 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jif n ASN 61 N -1.13 1.65 -4.86 -2.24 3.02 -0.83 -4.95 115.26 105.92 1jif n ASN 61 Ca 0.10 -2.27 -0.36 0.00 -0.03 0.00 0.00 54.58 52.01 1jif n ASN 61 Cb 0.09 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 1jif n ASN 61 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jif s THR 62 N -1.45 5.18 0.30 3.41 2.01 -0.98 -5.02 115.64 119.09 1jif s THR 62 Ca 0.12 0.51 -0.03 0.00 0.31 0.00 0.00 61.69 62.60 1jif s THR 62 Cb 0.10 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1jif s THR 62 CO 0.01 0.48 0.39 -0.94 -0.69 0.00 0.00 174.62 173.87 1jif s SER 63 N -1.34 0.71 0.17 3.53 1.04 -1.26 -1.32 113.70 115.23 1jif s SER 63 Ca 0.25 -1.40 -0.21 0.00 0.48 0.00 0.00 55.95 55.07 1jif s SER 63 Cb -0.15 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.61 1jif s SER 63 CO 0.13 -1.16 0.57 0.00 0.98 0.00 0.00 173.24 173.76 1jif s ALA 64 N -3.46 -1.32 -0.04 5.32 0.00 -0.71 -4.89 121.76 116.66 1jif s ALA 64 Ca 0.32 0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.53 1jif s ALA 64 Cb 0.01 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 1jif s ALA 64 CO 0.18 -0.79 -0.25 -1.58 0.00 0.00 0.00 175.76 173.32 1jif s TRP 65 N -3.80 2.38 -0.06 0.00 0.51 -1.26 -0.35 118.94 116.35 1jif s TRP 65 Ca 0.04 -0.55 0.03 0.00 -2.12 0.00 0.00 56.10 53.50 1jif s TRP 65 Cb -0.01 -1.54 0.01 0.00 -0.81 0.00 0.00 33.47 31.11 1jif s TRP 65 CO -0.09 -0.11 -0.15 0.42 -0.51 0.00 0.00 176.95 176.52 1jif s ILE 66 N -0.44 1.34 -0.09 2.03 1.01 0.55 -4.93 121.20 120.68 1jif s ILE 66 Ca 0.05 -0.62 -0.16 0.00 0.00 0.00 0.00 60.65 59.92 1jif s ILE 66 Cb -0.11 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 1jif s ILE 66 CO 0.01 0.40 0.41 -1.61 0.00 0.00 0.00 174.94 174.15 1jif s GLU 67 N 0.41 4.18 0.11 2.79 2.02 -1.26 -0.75 118.70 126.20 1jif s GLU 67 Ca -0.12 0.36 0.02 0.00 0.02 0.00 0.00 54.97 55.25 1jif s GLU 67 Cb -0.15 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 1jif s GLU 67 CO 0.04 0.36 -0.06 0.14 0.02 0.00 0.00 175.26 175.76 1jif s VAL 68 N 0.01 0.72 -0.28 2.63 -7.23 0.17 -4.90 120.40 111.52 1jif s VAL 68 Ca 0.23 -1.95 0.19 0.00 -1.81 0.00 0.00 61.98 58.64 1jif s VAL 68 Cb -0.15 -1.76 0.18 0.00 0.56 0.00 0.00 36.38 35.21 1jif s VAL 68 CO 0.10 -0.80 1.49 0.71 -0.31 0.00 0.00 175.10 176.29 1jif h THR 69 N 2.91 0.46 -1.81 5.32 1.35 -1.86 -2.02 112.91 117.26 1jif h THR 69 Ca -0.36 -1.65 -0.40 0.00 -0.55 0.00 0.00 66.41 63.45 1jif h THR 69 Cb 1.17 2.21 -0.29 0.00 -1.73 0.00 0.00 68.15 69.51 1jif h THR 69 CO 0.64 0.26 -0.77 -0.62 -0.25 0.00 0.00 175.52 174.79 1jif s ASP 70 N -6.31 0.31 0.50 5.36 -1.08 -1.26 -4.72 116.67 109.48 1jif s ASP 70 Ca 0.05 -2.41 0.21 0.00 -0.52 0.00 0.00 52.55 49.88 1jif s ASP 70 Cb 0.06 0.55 1.31 0.00 -1.46 0.00 0.00 42.92 43.38 1jif s ASP 70 CO 0.71 -0.14 2.09 1.55 0.52 0.00 0.00 175.17 179.91 1jif h PRO 71 N 5.56 0.00 -0.27 4.34 0.13 -1.90 -0.94 132.00 138.91 1jif h PRO 71 Ca 0.17 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.14 1jif h PRO 71 Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1jif h PRO 71 CO 0.22 0.11 -0.44 -0.44 -0.23 0.00 0.00 178.00 177.21 1jif h ASP 72 N 0.00 0.86 -0.75 1.44 3.32 -1.96 -0.16 116.42 119.17 1jif h ASP 72 Ca -0.00 -0.52 0.01 0.00 0.02 0.00 0.00 57.03 56.54 1jif h ASP 72 Cb 0.22 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1jif h ASP 72 CO 0.01 1.21 0.49 0.00 -1.72 0.00 0.00 179.24 179.24 1jif h ALA 73 N 0.67 0.95 -0.44 3.45 0.00 -1.88 -0.46 119.26 121.55 1jif h ALA 73 Ca 0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1jif h ALA 73 Cb 1.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1jif h ALA 73 CO 0.10 0.37 -0.01 1.25 0.00 0.00 0.00 179.25 180.96 1jif h LEU 74 N 1.01 0.77 -0.71 0.00 5.85 -0.97 -2.31 115.31 118.95 1jif h LEU 74 Ca 0.27 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1jif h LEU 74 Cb -0.12 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 1jif h LEU 74 CO -0.06 0.89 0.46 -0.74 -0.34 0.00 0.00 178.44 178.66 1jif h HIS 75 N 0.62 0.88 -0.42 1.25 2.76 -0.79 -1.54 115.15 117.92 1jif h HIS 75 Ca 0.12 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.20 1jif h HIS 75 Cb 0.51 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1jif h HIS 75 CO 0.04 0.54 -0.20 1.49 -1.30 0.00 0.00 177.93 178.50 1jif h GLU 76 N 0.94 0.82 -0.23 5.26 4.81 -0.87 0.12 114.58 125.43 1jif h GLU 76 Ca 0.26 -0.33 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1jif h GLU 76 Cb -0.09 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 1jif h GLU 76 CO -0.07 0.95 -0.19 1.49 -0.73 0.00 0.00 179.01 180.47 1jif h GLU 77 N 0.72 -0.18 0.00 1.92 4.81 -1.20 -2.60 114.58 118.06 1jif h GLU 77 Ca 0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1jif h GLU 77 Cb 0.72 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1jif h GLU 77 CO 0.06 -0.12 -0.28 0.91 -0.73 0.00 0.00 179.01 178.85 1jif n TRP 78 N -5.34 0.56 0.35 0.92 8.01 -0.60 -3.23 117.44 118.11 1jif n TRP 78 Ca -0.01 0.16 0.14 0.00 -1.31 0.00 0.00 57.50 56.48 1jif n TRP 78 Cb 0.25 -0.70 0.57 0.00 -2.01 0.00 0.00 31.31 29.42 1jif n TRP 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1jif h ALA 79 N 2.64 1.00 0.00 6.99 0.00 -0.35 -1.52 119.26 128.02 1jif h ALA 79 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jif h ALA 79 Cb 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jif h ALA 79 CO 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 179.25 179.15 1jif h ARG 80 N 0.00 0.00 0.00 0.00 3.08 -1.61 -3.35 114.38 112.51 1jif h ARG 80 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jif h ARG 80 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1jif h ARG 80 CO 0.00 0.10 0.00 0.00 -1.07 0.00 0.00 179.97 179.00 1jif n ALA 81 N -2.17 1.54 -2.63 0.04 0.00 -0.72 -5.04 120.51 111.53 1jif n ALA 81 Ca -0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 53.44 52.97 1jif n ALA 81 Cb 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.62 1jif n ALA 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jif s VAL 82 N -0.29 1.63 0.41 0.00 1.01 -0.65 -5.09 120.40 117.43 1jif s VAL 82 Ca 0.00 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 1jif s VAL 82 Cb 0.00 -1.37 -0.10 0.00 0.00 0.00 0.00 36.38 34.91 1jif s VAL 82 CO 0.00 0.46 1.47 -0.24 0.00 0.00 0.00 175.10 176.80 1jif n SER 83 N 2.81 3.63 -1.19 3.32 2.88 -1.26 -4.68 113.62 119.13 1jif n SER 83 Ca -0.16 1.18 0.11 0.00 -1.33 0.00 0.00 58.87 58.66 1jif n SER 83 Cb 0.53 -1.62 0.28 0.00 -0.75 0.00 0.00 64.21 62.65 1jif n SER 83 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1jif n THR 84 N 0.13 0.82 -3.07 2.46 -2.24 -1.26 -1.23 114.28 109.90 1jif n THR 84 Ca 0.03 -0.85 -0.44 0.00 -2.27 0.00 0.00 64.05 60.52 1jif n THR 84 Cb 0.40 0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1jif n THR 84 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jif s ASP 85 N -1.06 7.13 0.48 3.42 -1.08 -1.26 -4.77 116.67 119.52 1jif s ASP 85 Ca 0.43 -3.14 0.13 0.00 -0.52 0.00 0.00 52.55 49.45 1jif s ASP 85 Cb 0.23 -2.34 1.11 0.00 -1.46 0.00 0.00 42.92 40.45 1jif s ASP 85 CO 0.30 -0.62 2.10 0.22 0.52 0.00 0.00 175.17 177.70 1jif h TYR 86 N 7.07 0.21 0.00 -5.34 3.20 -1.83 -1.48 116.97 118.79 1jif h TYR 86 Ca 0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1jif h TYR 86 Cb 0.88 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1jif h TYR 86 CO 1.00 0.13 0.00 0.00 -1.64 0.00 0.00 178.16 177.65 1jif h ALA 87 N 1.88 1.00 -1.57 1.82 0.00 -1.94 -3.39 119.26 117.06 1jif h ALA 87 Ca 0.08 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.39 1jif h ALA 87 Cb 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.70 1jif h ALA 87 CO -0.02 0.00 0.73 0.34 0.00 0.00 0.00 179.25 180.30 1jif s ASP 88 N -5.41 6.19 -0.12 0.00 -1.08 -0.56 -4.87 116.67 110.81 1jif s ASP 88 Ca -0.01 -0.73 0.02 0.00 -0.52 0.00 0.00 52.55 51.31 1jif s ASP 88 Cb 0.10 -2.47 0.24 0.00 -1.46 0.00 0.00 42.92 39.33 1jif s ASP 88 CO 0.48 -1.56 1.17 0.35 0.52 0.00 0.00 175.17 176.13 1jif n THR 89 N 6.11 1.45 1.16 1.71 -2.24 -1.26 -3.80 114.28 117.41 1jif n THR 89 Ca -0.01 -0.58 0.13 0.00 -2.27 0.00 0.00 64.05 61.32 1jif n THR 89 Cb 0.47 -0.69 0.34 0.00 -2.10 0.00 0.00 70.33 68.35 1jif n THR 89 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jif n SER 90 N 0.04 0.79 -2.52 3.42 3.41 -1.26 -4.92 113.62 112.59 1jif n SER 90 Ca 0.16 -0.62 -0.11 0.00 -0.26 0.00 0.00 58.87 58.05 1jif n SER 90 Cb 0.78 0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.88 1jif n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jif n GLY 91 N 1.40 2.19 3.71 5.00 0.00 -1.25 -5.16 105.19 111.08 1jif n GLY 91 Ca 0.10 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 1jif n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jif s PRO 92 N -2.54 1.14 0.04 1.61 0.04 -1.26 -4.92 135.00 129.11 1jif s PRO 92 Ca 0.21 0.78 -0.28 0.00 0.04 0.00 0.00 61.00 61.74 1jif s PRO 92 Cb -0.01 -1.80 0.10 0.00 0.04 0.00 0.00 34.50 32.83 1jif s PRO 92 CO 0.15 -2.31 1.10 0.00 0.04 0.00 0.00 177.00 175.98 1jif s ALA 93 N -2.94 -1.93 0.06 8.56 0.00 -0.59 -4.30 121.76 120.62 1jif s ALA 93 Ca 0.64 0.56 0.03 0.00 0.00 0.00 0.00 51.96 53.18 1jif s ALA 93 Cb -0.18 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1jif s ALA 93 CO 0.57 -0.97 -0.10 1.41 0.00 0.00 0.00 175.76 176.67 1jif s MET 94 N -2.87 0.66 0.51 0.00 0.00 -0.36 -0.25 119.30 116.99 1jif s MET 94 Ca 0.12 -0.89 -0.00 0.00 0.00 0.00 0.00 55.69 54.91 1jif s MET 94 Cb 0.01 -0.46 0.01 0.00 0.00 0.00 0.00 34.83 34.40 1jif s MET 94 CO -0.02 0.08 0.75 0.95 0.00 0.00 0.00 175.02 176.79 1jif s THR 95 N -1.62 3.37 0.91 10.11 -4.23 -0.45 -4.12 115.64 119.61 1jif s THR 95 Ca -0.05 -0.50 -0.12 0.00 -1.18 0.00 0.00 61.69 59.84 1jif s THR 95 Cb -0.08 -3.27 0.13 0.00 1.34 0.00 0.00 72.50 70.62 1jif s THR 95 CO 0.01 -0.20 1.13 -2.16 -0.54 0.00 0.00 174.62 172.85 1jif s PRO 96 N -4.71 1.19 0.22 3.99 0.04 -1.26 -4.52 135.00 129.95 1jif s PRO 96 Ca 0.53 0.36 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 1jif s PRO 96 Cb -0.10 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 1jif s PRO 96 CO 0.39 -2.18 1.26 0.08 0.04 0.00 0.00 177.00 176.59 1jif s VAL 97 N -3.23 3.26 0.00 -0.36 1.01 -1.26 -4.55 120.40 115.26 1jif s VAL 97 Ca 0.64 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.71 1jif s VAL 97 Cb -0.15 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1jif s VAL 97 CO 0.54 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.44 1jif n GLY 98 N 1.98 3.83 3.69 4.51 0.00 0.38 -4.94 105.19 114.64 1jif n GLY 98 Ca 0.04 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 1jif n GLY 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jif s GLU 99 N -1.83 2.77 0.20 1.61 0.41 -1.26 -0.89 118.70 119.70 1jif s GLU 99 Ca 0.00 -0.64 0.01 0.00 -0.41 0.00 0.00 54.97 53.93 1jif s GLU 99 Cb 0.00 -2.66 -0.05 0.00 -1.78 0.00 0.00 34.13 29.64 1jif s GLU 99 CO 0.00 0.61 0.04 -1.54 -0.49 0.00 0.00 175.26 173.88 1jif s SER 100 N -1.70 1.14 0.65 -0.19 1.04 -0.48 -4.92 113.70 109.23 1jif s SER 100 Ca 0.21 -1.25 0.39 0.00 0.48 0.00 0.00 55.95 55.78 1jif s SER 100 Cb -0.12 0.15 2.19 0.00 0.10 0.00 0.00 66.02 68.34 1jif s SER 100 CO 0.12 -0.64 2.29 -0.65 0.98 0.00 0.00 173.24 175.35 1jif h PRO 101 N 2.60 0.00 0.00 4.02 0.11 -2.01 0.80 132.00 137.51 1jif h PRO 101 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1jif h PRO 101 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1jif h PRO 101 CO 0.62 0.00 -0.31 0.00 -0.21 0.00 0.00 178.00 178.10 1jif n ALA 102 N -2.13 2.90 0.00 -0.75 0.00 -1.26 -5.06 120.51 114.21 1jif n ALA 102 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1jif n ALA 102 Cb 0.12 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1jif n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jif n GLY 103 N 1.45 0.48 3.77 0.00 0.00 0.27 -4.70 105.19 106.47 1jif n GLY 103 Ca 0.06 -2.29 -0.40 0.00 0.00 0.00 0.00 46.02 43.38 1jif n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jif s ARG 104 N 0.00 4.41 0.12 1.61 0.52 -1.26 -1.39 118.95 122.96 1jif s ARG 104 Ca 0.00 2.06 -0.25 0.00 -0.52 0.00 0.00 55.73 57.02 1jif s ARG 104 Cb 0.00 -3.07 0.08 0.00 0.52 0.00 0.00 34.95 32.48 1jif s ARG 104 CO 0.00 -0.08 0.70 -1.83 0.02 0.00 0.00 175.30 174.11 1jif s GLU 105 N -1.73 1.17 0.21 3.54 -1.05 -0.07 -0.78 118.70 119.99 1jif s GLU 105 Ca 0.48 -0.46 -0.02 0.00 -0.15 0.00 0.00 54.97 54.82 1jif s GLU 105 Cb -0.37 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 33.81 1jif s GLU 105 CO 0.48 -0.52 0.17 -0.59 0.95 0.00 0.00 175.26 175.75 1jif s PHE 106 N -3.56 1.08 0.12 4.83 -0.71 -0.85 -0.47 117.98 118.42 1jif s PHE 106 Ca 0.03 -1.31 0.06 0.00 -1.04 0.00 0.00 56.93 54.67 1jif s PHE 106 Cb -0.01 -0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 41.28 1jif s PHE 106 CO -0.10 -0.68 -0.14 0.00 -1.34 0.00 0.00 175.22 172.96 1jif s ALA 107 N -4.14 1.46 -0.10 1.99 0.00 -1.26 -0.71 121.76 119.00 1jif s ALA 107 Ca 0.37 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1jif s ALA 107 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 1jif s ALA 107 CO 0.12 0.09 -0.21 0.08 0.00 0.00 0.00 175.76 175.84 1jif s VAL 108 N -2.16 2.40 -0.31 0.00 1.01 -0.22 -1.34 120.40 119.79 1jif s VAL 108 Ca 0.08 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1jif s VAL 108 Cb -0.05 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1jif s VAL 108 CO 0.03 0.55 0.20 -0.60 0.00 0.00 0.00 175.10 175.28 1jif s ARG 109 N 0.16 3.69 0.72 2.72 3.52 0.65 -1.08 118.95 129.33 1jif s ARG 109 Ca -0.11 -0.50 -0.06 0.00 -0.13 0.00 0.00 55.73 54.93 1jif s ARG 109 Cb -0.16 -3.69 0.08 0.00 -1.56 0.00 0.00 34.95 29.62 1jif s ARG 109 CO 0.06 -0.31 1.02 0.16 -0.81 0.00 0.00 175.30 175.43 1jif s ASP 110 N 1.72 4.59 0.60 -2.12 1.47 -0.62 -1.54 116.67 120.76 1jif s ASP 110 Ca 0.06 0.26 0.39 0.00 1.18 0.00 0.00 52.55 54.45 1jif s ASP 110 Cb -0.17 -0.82 1.97 0.00 -0.34 0.00 0.00 42.92 43.56 1jif s ASP 110 CO 0.10 -1.73 2.19 -0.65 0.68 0.00 0.00 175.17 175.76 1jif h PRO 111 N -0.65 0.00 0.00 2.11 0.11 -1.91 -1.30 132.00 130.36 1jif h PRO 111 Ca -0.43 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 1jif h PRO 111 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1jif h PRO 111 CO 0.54 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 178.14 1jif h ALA 112 N 2.01 0.89 0.00 -0.75 0.00 -1.93 -3.47 119.26 116.00 1jif h ALA 112 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jif h ALA 112 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jif h ALA 112 CO 0.00 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1jif n GLY 113 N 1.05 0.95 3.78 0.00 0.00 -0.49 -4.38 105.19 106.10 1jif n GLY 113 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1jif n GLY 113 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jif s ASN 114 N -0.99 5.66 -0.28 1.61 0.01 -1.22 -4.37 114.94 115.36 1jif s ASN 114 Ca 0.00 2.06 -0.03 0.00 -0.71 0.00 0.00 52.86 54.18 1jif s ASN 114 Cb 0.00 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.13 1jif s ASN 114 CO 0.00 -1.26 0.00 0.00 -1.51 0.00 0.00 177.10 174.33 1jif s VAL 116 N 1.33 3.65 -0.07 0.00 1.01 -0.24 -1.74 120.40 124.34 1jif s VAL 116 Ca -0.02 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 1jif s VAL 116 Cb -0.18 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1jif s VAL 116 CO -0.01 0.44 0.40 -1.00 0.00 0.00 0.00 175.10 174.93 1jif s HIS 117 N 1.02 3.61 -0.34 5.22 3.76 0.52 -1.05 115.29 128.02 1jif s HIS 117 Ca 0.01 0.87 -0.06 0.00 -0.15 0.00 0.00 55.06 55.73 1jif s HIS 117 Cb -0.15 -2.37 0.05 0.00 1.11 0.00 0.00 32.58 31.22 1jif s HIS 117 CO 0.01 0.42 0.10 -0.06 -0.85 0.00 0.00 174.74 174.36 1jif s PHE 118 N -0.25 3.27 0.26 1.40 0.40 0.11 -0.33 117.98 122.84 1jif s PHE 118 Ca 0.23 -1.52 0.12 0.00 -0.60 0.00 0.00 56.93 55.16 1jif s PHE 118 Cb -0.15 -2.33 -0.05 0.00 0.51 0.00 0.00 43.02 41.00 1jif s PHE 118 CO 0.10 -0.75 -0.20 -0.08 0.70 0.00 0.00 175.22 174.99 1jif s THR 119 N 1.38 2.52 0.59 0.64 -1.32 0.07 -2.01 115.64 117.50 1jif s THR 119 Ca -0.01 -2.28 -0.20 0.00 -1.21 0.00 0.00 61.69 57.99 1jif s THR 119 Cb -0.20 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1jif s THR 119 CO 0.02 -0.33 1.30 0.00 -2.21 0.00 0.00 174.62 173.41 1jif n ALA 120 N -0.42 1.30 -3.31 11.08 0.00 0.04 -0.66 120.51 128.55 1jif n ALA 120 Ca -0.07 0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1jif n ALA 120 Cb 0.59 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 1jif n ALA 120 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jif s GLY 121 N -1.11 -0.50 0.00 0.00 0.00 -0.76 -4.66 107.32 100.29 1jif s GLY 121 Ca 0.76 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.91 1jif s GLY 121 CO 0.46 0.12 0.08 -1.84 0.00 0.00 0.00 173.10 171.91