#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s78 s VAL 2 N 0.00 2.85 0.01 3.84 1.01 -1.26 -4.36 120.40 122.49 1s78 s VAL 2 Ca 0.00 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1s78 s VAL 2 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1s78 s VAL 2 CO 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 175.10 175.03 1s78 s GLN 3 N 2.44 0.57 -0.08 2.72 -2.07 -0.36 -5.00 119.66 117.88 1s78 s GLN 3 Ca 0.75 -0.42 0.04 0.00 -1.82 0.00 0.00 55.36 53.90 1s78 s GLN 3 Cb -0.42 -0.50 0.00 0.00 -1.09 0.00 0.00 33.01 31.00 1s78 s GLN 3 CO 0.33 0.13 -0.19 -0.51 -1.32 0.00 0.00 175.29 173.72 1s78 s LEU 4 N -0.62 1.92 -0.25 2.60 1.43 -1.26 -1.81 118.68 120.68 1s78 s LEU 4 Ca -0.01 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1s78 s LEU 4 Cb -0.05 -1.15 0.07 0.00 0.03 0.00 0.00 46.19 45.09 1s78 s LEU 4 CO 0.00 0.12 0.00 -0.69 0.23 0.00 0.00 176.35 176.02 1s78 s VAL 5 N 0.37 1.32 0.29 -1.59 1.01 -0.98 -4.20 120.40 116.62 1s78 s VAL 5 Ca -0.14 -1.27 -0.28 0.00 0.00 0.00 0.00 61.98 60.29 1s78 s VAL 5 Cb -0.16 -1.74 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 1s78 s VAL 5 CO 0.06 -0.28 1.02 -1.61 0.00 0.00 0.00 175.10 174.29 1s78 s GLU 6 N 1.46 4.63 0.20 2.72 8.01 -1.26 -2.17 118.70 132.29 1s78 s GLU 6 Ca -0.00 1.60 -0.03 0.00 0.01 0.00 0.00 54.97 56.55 1s78 s GLU 6 Cb -0.18 -3.07 -0.04 0.00 -4.31 0.00 0.00 34.13 26.53 1s78 s GLU 6 CO -0.10 0.27 0.16 -1.54 0.01 0.00 0.00 175.26 174.06 1s78 s SER 7 N -1.17 0.14 0.00 -0.19 1.04 -0.31 -4.75 113.70 108.45 1s78 s SER 7 Ca 0.46 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1s78 s SER 7 Cb -0.27 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1s78 s SER 7 CO 0.34 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1s78 n GLY 8 N -0.26 0.35 3.69 7.32 0.00 -1.26 -1.34 105.19 113.70 1s78 n GLY 8 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1s78 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s78 n GLY 9 N -1.97 0.28 0.00 -0.02 0.00 -1.26 -4.70 105.19 97.52 1s78 n GLY 9 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1s78 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s78 n GLY 10 N 1.02 2.01 3.22 -0.02 0.00 -1.01 -4.91 105.19 105.49 1s78 n GLY 10 Ca 0.15 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1s78 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s78 s LEU 11 N 0.00 2.04 0.01 0.99 2.96 -1.26 -2.38 118.68 121.04 1s78 s LEU 11 Ca 0.00 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 1s78 s LEU 11 Cb 0.00 -1.33 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 1s78 s LEU 11 CO 0.00 0.18 0.00 0.68 -1.32 0.00 0.00 176.35 175.90 1s78 s VAL 12 N 0.15 0.08 0.48 1.68 -7.23 -0.79 -5.01 120.40 109.75 1s78 s VAL 12 Ca -0.12 -0.69 -0.13 0.00 -1.81 0.00 0.00 61.98 59.23 1s78 s VAL 12 Cb -0.16 -0.23 -0.07 0.00 0.56 0.00 0.00 36.38 36.48 1s78 s VAL 12 CO 0.06 -0.38 0.89 -1.10 -0.31 0.00 0.00 175.10 174.27 1s78 s GLN 13 N -1.13 3.83 0.25 4.82 -0.21 -1.26 -1.96 119.66 124.00 1s78 s GLN 13 Ca -0.12 0.71 -0.31 0.00 0.02 0.00 0.00 55.36 55.66 1s78 s GLN 13 Cb -0.08 -2.25 -0.14 0.00 1.00 0.00 0.00 33.01 31.55 1s78 s GLN 13 CO -0.00 -0.19 1.27 -2.30 -2.12 0.00 0.00 175.29 171.94 1s78 n PRO 14 N -1.58 1.74 -2.20 2.91 -0.02 -1.26 -2.37 135.00 132.22 1s78 n PRO 14 Ca 0.05 0.62 -0.04 0.00 -2.02 0.00 0.00 63.50 62.11 1s78 n PRO 14 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1s78 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s78 n GLY 15 N 1.76 0.33 3.68 -1.23 0.00 0.20 -4.90 105.19 105.03 1s78 n GLY 15 Ca 0.11 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 1s78 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s78 s GLY 16 N -2.89 1.91 0.43 -0.02 0.00 -1.00 -4.57 107.32 101.18 1s78 s GLY 16 Ca 0.02 -1.82 0.05 0.00 0.00 0.00 0.00 44.72 42.97 1s78 s GLY 16 CO 0.03 -1.79 0.60 -0.56 0.00 0.00 0.00 173.10 171.37 1s78 s SER 17 N -3.76 5.68 0.00 1.64 0.01 -1.26 -2.95 113.70 113.05 1s78 s SER 17 Ca 0.35 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1s78 s SER 17 Cb -0.03 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.26 1s78 s SER 17 CO 0.21 -0.75 0.00 -0.11 0.41 0.00 0.00 173.24 173.00 1s78 n LEU 18 N -1.93 0.00 -4.42 2.44 7.94 -0.48 -4.98 117.00 115.58 1s78 n LEU 18 Ca 0.05 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.61 1s78 n LEU 18 Cb 0.59 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.41 1s78 n LEU 18 CO 0.42 0.00 -0.36 -0.60 -1.11 0.00 0.00 177.39 175.74 1s78 s ARG 19 N 0.00 3.56 -0.02 1.96 3.52 -1.26 -0.58 118.95 126.12 1s78 s ARG 19 Ca 0.00 -0.56 -0.03 0.00 -0.13 0.00 0.00 55.73 55.01 1s78 s ARG 19 Cb 0.00 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.35 1s78 s ARG 19 CO 0.00 0.03 0.18 -0.51 -0.81 0.00 0.00 175.30 174.19 1s78 s LEU 20 N 0.93 4.37 0.04 -0.88 1.43 -0.15 -4.64 118.68 119.78 1s78 s LEU 20 Ca 0.00 0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.52 1s78 s LEU 20 Cb -0.14 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1s78 s LEU 20 CO 0.01 0.28 -0.11 -0.44 0.23 0.00 0.00 176.35 176.32 1s78 s SER 21 N -1.82 4.31 -0.15 2.29 0.01 -0.45 -0.32 113.70 117.57 1s78 s SER 21 Ca 0.26 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.25 1s78 s SER 21 Cb -0.13 -0.88 0.01 0.00 0.21 0.00 0.00 66.02 65.24 1s78 s SER 21 CO 0.17 0.25 -0.21 0.00 0.41 0.00 0.00 173.24 173.86 1s78 s ALA 23 N 0.96 3.24 0.53 0.00 0.00 -0.92 -0.29 121.76 125.28 1s78 s ALA 23 Ca -0.03 -2.30 -0.07 0.00 0.00 0.00 0.00 51.96 49.56 1s78 s ALA 23 Cb -0.15 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 1s78 s ALA 23 CO -0.05 -1.71 0.86 0.00 0.00 0.00 0.00 175.76 174.85 1s78 s ALA 24 N 1.33 3.32 -0.18 0.00 0.00 -0.23 -2.31 121.76 123.68 1s78 s ALA 24 Ca 0.04 -0.43 -0.33 0.00 0.00 0.00 0.00 51.96 51.24 1s78 s ALA 24 Cb -0.23 -2.71 0.14 0.00 0.00 0.00 0.00 23.12 20.32 1s78 s ALA 24 CO -0.00 -0.49 1.18 -1.54 0.00 0.00 0.00 175.76 174.91 1s78 s SER 25 N -4.15 -0.17 0.00 0.00 1.04 -0.75 -4.79 113.70 104.88 1s78 s SER 25 Ca 0.50 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1s78 s SER 25 Cb -0.10 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1s78 s SER 25 CO 0.47 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1s78 n GLY 26 N 0.06 0.74 3.47 7.32 0.00 -1.26 -1.22 105.19 114.29 1s78 n GLY 26 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1s78 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s78 s PHE 27 N -2.42 -0.08 -0.74 1.61 -0.71 -1.26 -4.25 117.98 110.13 1s78 s PHE 27 Ca 0.00 -0.26 -0.26 0.00 -1.04 0.00 0.00 56.93 55.37 1s78 s PHE 27 Cb 0.00 0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 42.09 1s78 s PHE 27 CO 0.00 -0.87 1.98 0.99 -1.34 0.00 0.00 175.22 175.99 1s78 s THR 28 N -3.87 3.34 0.49 -4.49 2.01 -1.26 -4.84 115.64 107.02 1s78 s THR 28 Ca 0.09 -0.08 0.29 0.00 0.31 0.00 0.00 61.69 62.30 1s78 s THR 28 Cb -0.00 -3.82 0.47 0.00 0.01 0.00 0.00 72.50 69.16 1s78 s THR 28 CO -0.04 -0.79 1.83 0.15 -0.69 0.00 0.00 174.62 175.09 1s78 h PHE 29 N 13.57 0.21 -0.10 4.92 3.57 -1.97 -1.36 116.94 135.77 1s78 h PHE 29 Ca -0.08 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1s78 h PHE 29 Cb 1.09 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1s78 h PHE 29 CO 1.12 0.03 0.00 0.25 -2.23 0.00 0.00 178.31 177.48 1s78 n THR 30 N -4.35 0.12 0.83 4.41 -2.24 -1.26 -3.45 114.28 108.34 1s78 n THR 30 Ca 0.22 -0.24 0.10 0.00 -2.27 0.00 0.00 64.05 61.86 1s78 n THR 30 Cb 1.00 0.20 0.07 0.00 -2.10 0.00 0.00 70.33 69.50 1s78 n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1s78 n ASP 31 N -0.01 2.53 -4.19 3.42 10.43 -0.51 -4.86 116.55 123.36 1s78 n ASP 31 Ca 0.16 -1.77 -0.17 0.00 2.57 0.00 0.00 54.79 55.59 1s78 n ASP 31 Cb 0.26 0.07 -0.11 0.00 1.84 0.00 0.00 41.12 43.18 1s78 n ASP 31 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1s78 s TYR 32 N -1.72 1.21 0.06 1.24 1.51 -1.22 -5.02 117.35 113.40 1s78 s TYR 32 Ca 0.22 -0.53 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1s78 s TYR 32 Cb 0.16 -0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1s78 s TYR 32 CO 0.28 0.06 0.09 0.95 -1.11 0.00 0.00 175.55 175.82 1s78 s THR 33 N -1.75 4.65 0.23 -0.71 -4.23 -1.26 -4.52 115.64 108.04 1s78 s THR 33 Ca 0.02 -0.64 0.08 0.00 -1.18 0.00 0.00 61.69 59.97 1s78 s THR 33 Cb -0.07 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 1s78 s THR 33 CO 0.02 0.19 0.06 -0.04 -0.54 0.00 0.00 174.62 174.30 1s78 s MET 34 N -2.22 2.53 0.16 3.99 1.00 -1.09 -0.96 119.30 122.70 1s78 s MET 34 Ca 0.28 -1.19 0.02 0.00 0.00 0.00 0.00 55.69 54.80 1s78 s MET 34 Cb -0.12 -2.36 -0.05 0.00 0.00 0.00 0.00 34.83 32.31 1s78 s MET 34 CO 0.20 0.41 -0.02 -0.51 0.00 0.00 0.00 175.02 175.11 1s78 s ASP 35 N -3.44 1.22 -0.12 3.03 1.11 0.23 -0.69 116.67 118.01 1s78 s ASP 35 Ca 0.30 -1.13 0.01 0.00 0.18 0.00 0.00 52.55 51.91 1s78 s ASP 35 Cb -0.08 0.11 -0.01 0.00 1.07 0.00 0.00 42.92 44.01 1s78 s ASP 35 CO 0.21 -0.54 -0.15 0.26 1.18 0.00 0.00 175.17 176.13 1s78 s TRP 36 N -3.64 2.76 -0.07 4.23 0.52 -0.94 -0.81 118.94 120.98 1s78 s TRP 36 Ca 0.21 -0.72 0.03 0.00 0.02 0.00 0.00 56.10 55.64 1s78 s TRP 36 Cb 0.06 -1.82 0.01 0.00 -1.15 0.00 0.00 33.47 30.57 1s78 s TRP 36 CO 0.02 -0.25 -0.16 0.08 0.02 0.00 0.00 176.95 176.66 1s78 s VAL 37 N 0.34 1.41 0.21 4.03 1.01 0.30 -0.27 120.40 127.44 1s78 s VAL 37 Ca -0.13 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1s78 s VAL 37 Cb -0.16 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1s78 s VAL 37 CO 0.06 0.42 0.06 0.00 0.00 0.00 0.00 175.10 175.64 1s78 s ARG 38 N 0.49 2.57 -0.19 2.72 1.70 -0.44 0.11 118.95 125.91 1s78 s ARG 38 Ca -0.14 -1.13 -0.04 0.00 -0.47 0.00 0.00 55.73 53.95 1s78 s ARG 38 Cb -0.16 -2.40 0.06 0.00 -0.57 0.00 0.00 34.95 31.88 1s78 s ARG 38 CO 0.05 0.43 0.08 -1.14 -1.08 0.00 0.00 175.30 173.63 1s78 s GLN 39 N -3.33 0.26 0.52 3.89 0.74 0.18 -1.72 119.66 120.19 1s78 s GLN 39 Ca 0.30 -0.24 -0.19 0.00 0.05 0.00 0.00 55.36 55.28 1s78 s GLN 39 Cb -0.08 -1.86 -0.07 0.00 1.10 0.00 0.00 33.01 32.09 1s78 s GLN 39 CO 0.21 -0.70 1.04 0.00 -0.55 0.00 0.00 175.29 175.29 1s78 s ALA 40 N 2.04 2.84 -0.19 1.58 0.00 -1.26 -0.35 121.76 126.42 1s78 s ALA 40 Ca 0.02 0.53 -0.34 0.00 0.00 0.00 0.00 51.96 52.17 1s78 s ALA 40 Cb -0.16 -3.24 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 1s78 s ALA 40 CO -0.11 -0.46 2.02 -2.30 0.00 0.00 0.00 175.76 174.92 1s78 n PRO 41 N -1.30 1.80 -0.99 0.00 -0.02 -1.26 -0.56 135.00 132.67 1s78 n PRO 41 Ca 0.09 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1s78 n PRO 41 Cb 0.53 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1s78 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s78 n GLY 42 N 5.23 0.52 3.20 -1.23 0.00 -1.26 -5.02 105.19 106.64 1s78 n GLY 42 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.12 1s78 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s78 n LYS 43 N -2.48 0.75 0.00 1.61 5.02 0.27 -5.14 118.16 118.19 1s78 n LYS 43 Ca 0.00 -2.75 0.00 0.00 -2.02 0.00 0.00 58.31 53.54 1s78 n LYS 43 Cb 0.04 0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 1s78 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s78 n GLY 44 N -0.67 0.21 3.56 0.72 0.00 -1.26 -4.72 105.19 103.04 1s78 n GLY 44 Ca 0.05 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 1s78 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s78 s LEU 45 N 0.00 3.27 -0.11 0.99 1.43 -1.26 -4.27 118.68 118.72 1s78 s LEU 45 Ca 0.00 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1s78 s LEU 45 Cb 0.00 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1s78 s LEU 45 CO 0.00 0.29 -0.16 -0.70 0.23 0.00 0.00 176.35 176.00 1s78 s GLU 46 N -0.34 2.32 0.13 1.70 2.12 -0.70 -5.00 118.70 118.93 1s78 s GLU 46 Ca 0.05 -0.60 -0.30 0.00 0.36 0.00 0.00 54.97 54.48 1s78 s GLU 46 Cb -0.12 -1.95 -0.06 0.00 0.26 0.00 0.00 34.13 32.25 1s78 s GLU 46 CO 0.02 -0.05 1.03 -0.46 -0.54 0.00 0.00 175.26 175.27 1s78 s TRP 47 N 0.94 3.69 -0.02 5.30 -0.00 -1.26 -1.32 118.94 126.27 1s78 s TRP 47 Ca -0.07 1.68 -0.02 0.00 -0.00 0.00 0.00 56.10 57.69 1s78 s TRP 47 Cb -0.15 -3.17 -0.01 0.00 -0.00 0.00 0.00 33.47 30.14 1s78 s TRP 47 CO -0.01 -0.23 -0.05 0.28 -0.00 0.00 0.00 176.95 176.94 1s78 n VAL 48 N 2.75 0.20 -3.48 5.86 0.31 0.63 -4.62 118.33 119.99 1s78 n VAL 48 Ca 0.03 0.45 -0.05 0.00 -0.01 0.00 0.00 64.34 64.77 1s78 n VAL 48 Cb 0.48 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1s78 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s78 n ALA 49 N -2.75 -0.54 -3.69 3.52 0.00 -1.21 -0.42 120.51 115.42 1s78 n ALA 49 Ca -0.02 -0.58 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 1s78 n ALA 49 Cb 0.07 0.46 -0.12 0.00 0.00 0.00 0.00 19.45 19.86 1s78 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s78 s ASP 50 N -1.88 -0.19 -0.07 0.00 2.15 -0.33 -2.22 116.67 114.13 1s78 s ASP 50 Ca 0.08 0.71 0.05 0.00 0.43 0.00 0.00 52.55 53.82 1s78 s ASP 50 Cb -0.01 0.71 -0.01 0.00 -0.30 0.00 0.00 42.92 43.30 1s78 s ASP 50 CO 0.06 -0.20 -0.22 0.54 -0.17 0.00 0.00 175.17 175.19 1s78 s VAL 51 N 1.76 2.37 -0.20 1.11 0.11 0.13 -1.01 120.40 124.68 1s78 s VAL 51 Ca -0.06 -0.95 -0.15 0.00 -2.93 0.00 0.00 61.98 57.89 1s78 s VAL 51 Cb -0.10 -1.89 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 1s78 s VAL 51 CO -0.10 0.57 0.34 0.21 -3.33 0.00 0.00 175.10 172.78 1s78 s ASN 52 N -0.20 6.38 0.00 3.54 3.84 0.22 -2.66 114.94 126.06 1s78 s ASN 52 Ca -0.02 0.45 0.30 0.00 0.21 0.00 0.00 52.86 53.80 1s78 s ASN 52 Cb -0.13 -2.20 1.44 0.00 -0.55 0.00 0.00 41.25 39.81 1s78 s ASN 52 CO 0.03 -0.02 1.97 -0.81 -2.79 0.00 0.00 177.10 175.49 1s78 n PRO 52 N 4.26 1.15 -0.13 0.43 -0.04 -1.26 -0.63 135.00 138.77 1s78 n PRO 52 Ca -0.10 -0.39 -0.28 0.00 -0.04 0.00 0.00 63.50 62.69 1s78 n PRO 52 Cb 0.51 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1s78 n PRO 52 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1s78 n ASN 53 N -0.58 1.95 0.05 3.54 3.02 -1.26 -4.57 115.26 117.40 1s78 n ASN 53 Ca 0.20 0.30 -0.06 0.00 -0.03 0.00 0.00 54.58 54.99 1s78 n ASN 53 Cb 0.24 -0.80 -0.11 0.00 -0.61 0.00 0.00 39.78 38.50 1s78 n ASN 53 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1s78 h SER 54 N -0.89 0.00 0.00 6.41 4.64 -2.00 -3.47 113.55 118.23 1s78 h SER 54 Ca -0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 1s78 h SER 54 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1s78 h SER 54 CO -0.37 0.92 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 1s78 n GLY 55 N 1.39 1.02 3.85 -0.77 0.00 0.20 -5.04 105.19 105.84 1s78 n GLY 55 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1s78 n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s78 s GLY 56 N -1.67 2.34 0.18 -0.02 0.00 -1.21 -4.76 107.32 102.17 1s78 s GLY 56 Ca 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 44.72 44.77 1s78 s GLY 56 CO 0.00 0.14 -0.22 -1.35 0.00 0.00 0.00 173.10 171.67 1s78 s SER 57 N -2.23 3.17 -0.20 1.64 1.04 -1.26 -0.61 113.70 115.25 1s78 s SER 57 Ca 0.50 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1s78 s SER 57 Cb -0.11 -0.22 0.04 0.00 0.10 0.00 0.00 66.02 65.82 1s78 s SER 57 CO 0.19 0.08 -0.15 -0.63 0.98 0.00 0.00 173.24 173.71 1s78 s ILE 58 N -1.70 1.92 0.04 -1.02 1.01 -0.18 -4.96 121.20 116.31 1s78 s ILE 58 Ca 0.18 -1.08 0.07 0.00 0.00 0.00 0.00 60.65 59.82 1s78 s ILE 58 Cb -0.08 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 1s78 s ILE 58 CO 0.08 0.30 -0.21 -0.72 0.00 0.00 0.00 174.94 174.40 1s78 s TYR 59 N 1.30 1.84 -0.08 3.97 -0.85 -1.26 -1.19 117.35 121.08 1s78 s TYR 59 Ca 0.00 -0.38 -0.38 0.00 -0.52 0.00 0.00 57.07 55.80 1s78 s TYR 59 Cb -0.15 -1.10 -0.16 0.00 0.38 0.00 0.00 41.96 40.93 1s78 s TYR 59 CO -0.10 0.09 1.59 -1.71 -1.52 0.00 0.00 175.55 173.90 1s78 n ASN 60 N 1.87 2.27 -0.20 -0.18 2.85 0.45 -4.82 115.26 117.49 1s78 n ASN 60 Ca -0.17 1.08 0.30 0.00 -0.11 0.00 0.00 54.58 55.68 1s78 n ASN 60 Cb 0.53 -1.21 0.73 0.00 1.24 0.00 0.00 39.78 41.07 1s78 n ASN 60 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1s78 h GLN 61 N 6.29 0.00 -1.49 1.20 1.08 -1.96 -1.40 115.11 118.83 1s78 h GLN 61 Ca -0.47 0.00 0.44 0.00 -1.45 0.00 0.00 58.65 57.17 1s78 h GLN 61 Cb 1.32 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.66 1s78 h GLN 61 CO 0.88 0.00 1.04 0.00 -0.95 0.00 0.00 178.83 179.80 1s78 h ARG 62 N 0.00 0.05 -0.00 1.46 2.47 -1.95 -2.75 114.38 113.66 1s78 h ARG 62 Ca 0.45 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.17 1s78 h ARG 62 Cb 1.88 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.19 1s78 h ARG 62 CO -0.00 0.03 0.00 1.19 0.56 0.00 0.00 179.97 181.75 1s78 n PHE 63 N -4.26 0.01 -2.31 3.04 3.01 -0.53 -5.00 117.46 111.42 1s78 n PHE 63 Ca 0.35 -0.87 -0.42 0.00 1.01 0.00 0.00 57.45 57.52 1s78 n PHE 63 Cb 1.54 -0.13 -0.03 0.00 -0.01 0.00 0.00 39.48 40.86 1s78 n PHE 63 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1s78 s LYS 64 N -2.40 4.32 0.00 -1.08 2.20 -1.04 -1.96 119.74 119.78 1s78 s LYS 64 Ca 0.24 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.71 1s78 s LYS 64 Cb 0.21 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1s78 s LYS 64 CO 0.02 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 1s78 n GLY 65 N 3.50 2.75 0.10 5.54 0.00 -1.26 -4.76 105.19 111.05 1s78 n GLY 65 Ca 0.12 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1s78 n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1s78 h ARG 66 N 0.00 0.21 -6.44 1.61 3.08 -1.84 -3.47 114.38 107.53 1s78 h ARG 66 Ca 0.00 -0.36 -0.63 0.00 0.07 0.00 0.00 59.98 59.06 1s78 h ARG 66 Cb 0.00 0.14 -0.24 0.00 0.08 0.00 0.00 29.97 29.94 1s78 h ARG 66 CO 0.00 1.17 -0.85 -0.06 -1.07 0.00 0.00 179.97 179.16 1s78 s PHE 67 N -2.67 2.04 -0.05 3.04 0.40 -0.83 -1.51 117.98 118.40 1s78 s PHE 67 Ca -0.03 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1s78 s PHE 67 Cb 0.08 -1.17 0.04 0.00 0.51 0.00 0.00 43.02 42.47 1s78 s PHE 67 CO 0.87 0.18 0.11 0.99 0.70 0.00 0.00 175.22 178.06 1s78 s THR 68 N -0.93 -0.09 0.11 0.64 2.01 -0.18 -4.86 115.64 112.34 1s78 s THR 68 Ca 0.10 0.24 -0.07 0.00 0.31 0.00 0.00 61.69 62.26 1s78 s THR 68 Cb -0.10 -0.19 -0.06 0.00 0.01 0.00 0.00 72.50 72.16 1s78 s THR 68 CO 0.03 0.10 0.39 -0.76 -0.69 0.00 0.00 174.62 173.69 1s78 s LEU 69 N 1.37 4.30 0.17 4.42 1.43 -1.26 -0.44 118.68 128.69 1s78 s LEU 69 Ca -0.06 0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 53.66 1s78 s LEU 69 Cb -0.12 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 1s78 s LEU 69 CO -0.05 0.11 0.27 -0.94 0.23 0.00 0.00 176.35 175.97 1s78 s SER 70 N -2.07 0.07 -0.02 2.29 1.04 -0.97 -4.95 113.70 109.10 1s78 s SER 70 Ca 0.37 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 55.86 1s78 s SER 70 Cb -0.13 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 1s78 s SER 70 CO 0.21 -0.90 -0.09 0.68 0.98 0.00 0.00 173.24 174.12 1s78 s VAL 71 N -4.00 0.72 -0.75 5.02 -7.23 -1.26 -0.47 120.40 112.43 1s78 s VAL 71 Ca 0.20 -0.35 -0.04 0.00 -1.81 0.00 0.00 61.98 59.98 1s78 s VAL 71 Cb 0.04 -0.63 0.19 0.00 0.56 0.00 0.00 36.38 36.54 1s78 s VAL 71 CO 0.02 0.22 0.61 -0.62 -0.31 0.00 0.00 175.10 175.02 1s78 s ASP 72 N 0.03 5.69 0.43 4.85 -1.08 -0.31 -4.95 116.67 121.33 1s78 s ASP 72 Ca -0.00 -3.17 0.30 0.00 -0.52 0.00 0.00 52.55 49.16 1s78 s ASP 72 Cb -0.06 -1.92 1.37 0.00 -1.46 0.00 0.00 42.92 40.85 1s78 s ASP 72 CO 0.00 -0.32 1.90 0.08 0.52 0.00 0.00 175.17 177.35 1s78 h ARG 73 N 6.72 0.00 0.00 4.34 0.11 -1.91 0.38 114.38 124.02 1s78 h ARG 73 Ca 0.06 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.12 1s78 h ARG 73 Cb 0.91 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.99 1s78 h ARG 73 CO 0.77 0.00 -0.12 0.66 0.10 0.00 0.00 179.97 181.38 1s78 h SER 74 N 0.00 0.00 -0.06 0.08 4.64 -1.93 -3.07 113.55 113.21 1s78 h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s78 h SER 74 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1s78 h SER 74 CO 0.00 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 1s78 n LYS 75 N -3.63 2.77 -3.02 4.77 5.02 0.08 -4.98 118.16 119.18 1s78 n LYS 75 Ca -0.02 -1.55 -0.20 0.00 -2.02 0.00 0.00 58.31 54.52 1s78 n LYS 75 Cb 0.24 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1s78 n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1s78 n ASN 76 N -0.29 -4.40 -4.45 4.39 5.03 -0.93 -4.70 115.26 109.92 1s78 n ASN 76 Ca 0.02 -0.20 -0.32 0.00 0.87 0.00 0.00 54.58 54.95 1s78 n ASN 76 Cb 0.27 -3.64 -0.13 0.00 -1.02 0.00 0.00 39.78 35.26 1s78 n ASN 76 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1s78 s THR 77 N -2.91 2.83 0.16 3.41 2.01 -1.15 -1.07 115.64 118.92 1s78 s THR 77 Ca 0.26 -0.97 0.10 0.00 0.31 0.00 0.00 61.69 61.39 1s78 s THR 77 Cb -0.13 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1s78 s THR 77 CO 0.32 0.48 -0.21 -1.48 -0.69 0.00 0.00 174.62 173.04 1s78 s LEU 78 N -1.04 2.41 0.12 4.42 -0.00 0.60 -1.16 118.68 124.03 1s78 s LEU 78 Ca 0.13 -0.83 0.08 0.00 -0.00 0.00 0.00 54.13 53.52 1s78 s LEU 78 Cb -0.10 -0.98 -0.04 0.00 -0.00 0.00 0.00 46.19 45.07 1s78 s LEU 78 CO 0.03 0.05 -0.20 -0.31 -0.00 0.00 0.00 176.35 175.91 1s78 s TYR 79 N -1.70 1.81 -0.24 3.48 1.51 0.38 0.78 117.35 123.37 1s78 s TYR 79 Ca 0.16 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1s78 s TYR 79 Cb -0.07 -0.97 0.06 0.00 -0.11 0.00 0.00 41.96 40.87 1s78 s TYR 79 CO 0.07 0.24 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.55 1s78 s LEU 80 N -2.11 2.56 -0.33 -1.29 2.96 0.56 -2.28 118.68 118.74 1s78 s LEU 80 Ca 0.09 -1.23 -0.22 0.00 -0.22 0.00 0.00 54.13 52.55 1s78 s LEU 80 Cb -0.09 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.47 1s78 s LEU 80 CO 0.05 -0.26 0.74 -1.58 -1.32 0.00 0.00 176.35 173.97 1s78 s GLN 81 N 1.42 3.83 -0.26 1.98 2.00 0.42 -0.97 119.66 128.08 1s78 s GLN 81 Ca -0.04 0.36 -0.03 0.00 -2.00 0.00 0.00 55.36 53.65 1s78 s GLN 81 Cb -0.19 -3.77 0.02 0.00 0.80 0.00 0.00 33.01 29.87 1s78 s GLN 81 CO -0.08 -0.73 -0.01 -1.64 -0.50 0.00 0.00 175.29 172.33 1s78 s MET 82 N 2.91 2.97 0.38 1.67 -1.94 0.25 -1.01 119.30 124.53 1s78 s MET 82 Ca 0.30 -0.91 0.08 0.00 -1.71 0.00 0.00 55.69 53.45 1s78 s MET 82 Cb -0.14 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.55 1s78 s MET 82 CO 0.14 -0.39 0.19 -0.80 -0.01 0.00 0.00 175.02 174.15 1s78 s ASN 82 N 1.39 4.63 -1.35 3.03 0.01 -0.57 -1.38 114.94 120.70 1s78 s ASN 82 Ca 0.01 -0.89 -0.08 0.00 -0.71 0.00 0.00 52.86 51.20 1s78 s ASN 82 Cb -0.17 -0.61 0.00 0.00 0.41 0.00 0.00 41.25 40.89 1s78 s ASN 82 CO -0.02 -0.44 0.46 -0.24 -1.51 0.00 0.00 177.10 175.35 1s78 n SER 82 N -1.24 -1.49 -4.76 -1.22 2.88 -1.16 -4.79 113.62 101.83 1s78 n SER 82 Ca -0.01 -1.08 -0.41 0.00 -1.33 0.00 0.00 58.87 56.04 1s78 n SER 82 Cb 0.63 -2.76 -0.03 0.00 -0.75 0.00 0.00 64.21 61.30 1s78 n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1s78 s LEU 82 N -6.99 4.45 0.21 2.46 1.43 -1.15 -4.57 118.68 114.52 1s78 s LEU 82 Ca 0.15 2.59 0.06 0.00 -1.03 0.00 0.00 54.13 55.89 1s78 s LEU 82 Cb -0.06 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 1s78 s LEU 82 CO 0.91 -0.47 -0.09 0.00 0.23 0.00 0.00 176.35 176.93 1s78 s ARG 83 N -1.50 1.32 0.23 1.70 1.70 -1.26 -0.63 118.95 120.51 1s78 s ARG 83 Ca 0.49 -1.62 -0.17 0.00 -0.47 0.00 0.00 55.73 53.96 1s78 s ARG 83 Cb -0.38 -0.91 0.25 0.00 -0.57 0.00 0.00 34.95 33.33 1s78 s ARG 83 CO 0.49 0.07 1.56 0.00 -1.08 0.00 0.00 175.30 176.34 1s78 h ALA 84 N 2.53 0.19 -0.10 7.88 0.00 -1.97 0.20 119.26 127.98 1s78 h ALA 84 Ca -0.38 0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1s78 h ALA 84 Cb 1.22 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 19.92 1s78 h ALA 84 CO 0.64 -0.60 0.40 0.93 0.00 0.00 0.00 179.25 180.62 1s78 h GLU 85 N -0.03 0.00 -0.01 0.00 3.07 -1.97 0.41 114.58 116.05 1s78 h GLU 85 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 1s78 h GLU 85 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1s78 h GLU 85 CO -0.92 0.00 -0.05 -0.25 -1.40 0.00 0.00 179.01 176.38 1s78 n ASP 86 N -3.06 0.79 -4.60 1.42 8.00 0.69 -4.76 116.55 115.03 1s78 n ASP 86 Ca 0.00 -1.06 -0.43 0.00 0.71 0.00 0.00 54.79 54.02 1s78 n ASP 86 Cb 0.48 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1s78 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s78 s THR 87 N -2.18 3.21 -0.08 -3.53 2.01 0.14 -4.84 115.64 110.36 1s78 s THR 87 Ca 0.37 0.21 -0.32 0.00 0.31 0.00 0.00 61.69 62.26 1s78 s THR 87 Cb 0.21 -3.28 0.12 0.00 0.01 0.00 0.00 72.50 69.55 1s78 s THR 87 CO 0.40 -0.18 1.07 0.00 -0.69 0.00 0.00 174.62 175.21 1s78 s ALA 88 N 7.86 -1.96 -0.03 7.40 0.00 -0.38 -4.44 121.76 130.21 1s78 s ALA 88 Ca 0.92 1.22 -0.25 0.00 0.00 0.00 0.00 51.96 53.85 1s78 s ALA 88 Cb -0.28 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1s78 s ALA 88 CO 0.34 -0.68 0.76 0.08 0.00 0.00 0.00 175.76 176.26 1s78 s VAL 89 N -2.76 4.95 -0.36 0.00 1.01 0.52 -1.24 120.40 122.53 1s78 s VAL 89 Ca 0.08 1.59 -0.07 0.00 0.00 0.00 0.00 61.98 63.58 1s78 s VAL 89 Cb -0.01 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.32 1s78 s VAL 89 CO -0.06 0.26 0.14 -0.31 0.00 0.00 0.00 175.10 175.13 1s78 s TYR 90 N 0.66 3.29 0.22 5.22 1.51 0.13 0.47 117.35 128.84 1s78 s TYR 90 Ca 0.40 -1.49 -0.14 0.00 -1.01 0.00 0.00 57.07 54.83 1s78 s TYR 90 Cb -0.19 -2.46 -0.08 0.00 -0.11 0.00 0.00 41.96 39.12 1s78 s TYR 90 CO 0.21 -0.76 0.62 0.71 -1.11 0.00 0.00 175.55 175.21 1s78 s TYR 91 N 1.40 3.51 -0.11 2.71 1.51 0.30 -2.13 117.35 124.53 1s78 s TYR 91 Ca -0.00 1.10 0.02 0.00 -1.01 0.00 0.00 57.07 57.18 1s78 s TYR 91 Cb -0.20 -2.42 -0.01 0.00 -0.11 0.00 0.00 41.96 39.22 1s78 s TYR 91 CO 0.02 0.29 -0.19 0.00 -1.11 0.00 0.00 175.55 174.57 1s78 s ALA 93 N 0.34 1.02 -0.24 0.00 0.00 0.01 -1.19 121.76 121.70 1s78 s ALA 93 Ca -0.15 -1.52 -0.16 0.00 0.00 0.00 0.00 51.96 50.12 1s78 s ALA 93 Cb -0.17 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1s78 s ALA 93 CO 0.08 -0.45 0.42 0.50 0.00 0.00 0.00 175.76 176.31 1s78 s ARG 94 N -4.02 4.10 -0.02 0.00 3.52 -0.92 -0.60 118.95 121.01 1s78 s ARG 94 Ca 0.25 0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.74 1s78 s ARG 94 Cb 0.07 -3.60 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 1s78 s ARG 94 CO 0.03 -0.20 1.34 1.21 -0.81 0.00 0.00 175.30 176.88 1s78 s ASN 95 N 1.36 6.91 0.00 -2.12 3.84 -0.14 -2.55 114.94 122.24 1s78 s ASN 95 Ca 0.18 2.02 0.00 0.00 0.21 0.00 0.00 52.86 55.28 1s78 s ASN 95 Cb -0.15 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1s78 s ASN 95 CO 0.09 -0.68 0.00 -0.11 -2.79 0.00 0.00 177.10 173.61 1s78 n LEU 96 N 5.32 0.00 -4.75 3.21 7.94 -0.51 -4.37 117.00 123.84 1s78 n LEU 96 Ca 0.12 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.65 1s78 n LEU 96 Cb 0.44 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.42 1s78 n LEU 96 CO 0.57 0.00 0.94 -0.83 -1.11 0.00 0.00 177.39 176.97 1s78 s GLY 97 N 0.00 2.86 0.00 -3.96 0.00 -1.26 -4.76 107.32 100.20 1s78 s GLY 97 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 44.72 45.95 1s78 s GLY 97 CO 0.00 1.73 0.38 -1.05 0.00 0.00 0.00 173.10 174.16 1s78 n PRO 98 N -0.95 0.38 -0.30 2.90 -0.02 -1.26 -4.36 135.00 131.38 1s78 n PRO 98 Ca 0.10 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.50 1s78 n PRO 98 Cb 0.46 -1.31 0.07 0.00 -0.02 0.00 0.00 33.50 32.69 1s78 n PRO 98 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1s78 n SER 99 N 0.82 -1.17 -2.22 2.55 7.64 -1.26 -5.05 113.62 114.93 1s78 n SER 99 Ca 0.00 -0.72 -0.25 0.00 1.01 0.00 0.00 58.87 58.91 1s78 n SER 99 Cb 0.19 -0.27 0.01 0.00 -1.01 0.00 0.00 64.21 63.13 1s78 n SER 99 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1s78 n PHE 99 N -3.07 3.04 -4.17 1.43 3.72 -1.26 -4.26 117.46 112.88 1s78 n PHE 99 Ca 0.04 -2.61 -0.23 0.00 -0.05 0.00 0.00 57.45 54.60 1s78 n PHE 99 Cb 0.16 -0.24 -0.07 0.00 -0.94 0.00 0.00 39.48 38.39 1s78 n PHE 99 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 1s78 s TYR 99 N -3.58 2.67 -0.06 1.38 -0.85 -1.26 -4.99 117.35 110.67 1s78 s TYR 99 Ca 0.50 -0.38 0.00 0.00 -0.52 0.00 0.00 57.07 56.67 1s78 s TYR 99 Cb 0.41 -1.57 0.02 0.00 0.38 0.00 0.00 41.96 41.20 1s78 s TYR 99 CO -0.06 0.40 -0.04 -0.06 -1.52 0.00 0.00 175.55 174.27 1s78 s PHE 100 N -2.44 0.80 0.00 -3.49 0.40 -1.26 -1.43 117.98 110.56 1s78 s PHE 100 Ca 0.36 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.45 1s78 s PHE 100 Cb -0.02 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.75 1s78 s PHE 100 CO 0.22 -0.26 0.00 -0.40 0.70 0.00 0.00 175.22 175.48 1s78 n ASP 101 N 4.42 0.00 -4.70 1.36 5.75 -1.06 -4.89 116.55 117.43 1s78 n ASP 101 Ca -0.19 0.15 -0.42 0.00 -0.01 0.00 0.00 54.79 54.33 1s78 n ASP 101 Cb 0.51 -0.28 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 1s78 n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1s78 s TYR 102 N -0.57 3.57 -0.06 2.11 1.51 -1.26 -4.90 117.35 117.75 1s78 s TYR 102 Ca 0.00 1.56 0.04 0.00 -1.01 0.00 0.00 57.07 57.66 1s78 s TYR 102 Cb 0.00 -3.09 -0.02 0.00 -0.11 0.00 0.00 41.96 38.74 1s78 s TYR 102 CO 0.00 -0.10 -0.17 -1.58 -1.11 0.00 0.00 175.55 172.59 1s78 s TRP 103 N 1.47 2.63 1.14 2.71 0.52 -1.26 -2.17 118.94 123.98 1s78 s TRP 103 Ca 0.47 -0.40 -0.16 0.00 0.02 0.00 0.00 56.10 56.03 1s78 s TRP 103 Cb -0.19 -1.65 0.26 0.00 -1.15 0.00 0.00 33.47 30.73 1s78 s TRP 103 CO 0.21 -0.00 1.07 0.20 0.02 0.00 0.00 176.95 178.46 1s78 s GLY 104 N -0.38 1.55 0.48 0.98 0.00 -0.33 -4.83 107.32 104.79 1s78 s GLY 104 Ca 0.04 -0.59 0.28 0.00 0.00 0.00 0.00 44.72 44.44 1s78 s GLY 104 CO 0.02 0.18 1.88 -1.61 0.00 0.00 0.00 173.10 173.57 1s78 h GLN 105 N -2.42 0.00 0.00 2.90 5.75 -1.90 -3.44 115.11 115.99 1s78 h GLN 105 Ca -0.52 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 1s78 h GLN 105 Cb 1.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.87 1s78 h GLN 105 CO 0.46 0.13 0.00 0.41 -2.65 0.00 0.00 178.83 177.18 1s78 n GLY 106 N 0.14 -0.60 3.32 2.39 0.00 -1.26 -5.00 105.19 104.19 1s78 n GLY 106 Ca 0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 1s78 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1s78 s THR 107 N -2.34 2.07 -0.11 2.61 -1.32 -0.91 -4.89 115.64 110.75 1s78 s THR 107 Ca 0.00 -1.28 -0.11 0.00 -1.21 0.00 0.00 61.69 59.09 1s78 s THR 107 Cb 0.00 -1.75 -0.05 0.00 -1.51 0.00 0.00 72.50 69.19 1s78 s THR 107 CO 0.00 0.42 0.25 -0.22 -2.21 0.00 0.00 174.62 172.86 1s78 s LEU 108 N -1.03 4.35 -0.13 9.08 0.20 -1.26 0.17 118.68 130.05 1s78 s LEU 108 Ca 0.11 0.57 0.02 0.00 0.69 0.00 0.00 54.13 55.51 1s78 s LEU 108 Cb -0.10 -2.28 0.00 0.00 -0.43 0.00 0.00 46.19 43.38 1s78 s LEU 108 CO 0.01 0.27 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.46 1s78 s VAL 109 N -0.44 2.37 -0.15 1.68 1.01 -0.37 -2.41 120.40 122.09 1s78 s VAL 109 Ca 0.17 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1s78 s VAL 109 Cb -0.13 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1s78 s VAL 109 CO 0.05 0.54 -0.21 -0.89 0.00 0.00 0.00 175.10 174.60 1s78 s THR 110 N 0.63 1.99 -0.21 3.92 2.01 -1.00 -1.24 115.64 121.74 1s78 s THR 110 Ca -0.10 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 60.93 1s78 s THR 110 Cb -0.16 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1s78 s THR 110 CO 0.02 0.53 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.78 1s78 s VAL 111 N 0.98 3.68 -0.27 3.82 1.01 -1.26 -1.89 120.40 126.47 1s78 s VAL 111 Ca -0.03 -0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 1s78 s VAL 111 Cb -0.15 -2.67 0.07 0.00 0.00 0.00 0.00 36.38 33.63 1s78 s VAL 111 CO -0.05 0.42 0.72 -0.55 0.00 0.00 0.00 175.10 175.64 1s78 s SER 112 N 1.29 -0.77 0.35 3.32 0.15 -0.83 -4.66 113.70 112.56 1s78 s SER 112 Ca 0.04 1.45 0.15 0.00 0.70 0.00 0.00 55.95 58.28 1s78 s SER 112 Cb -0.14 1.45 0.65 0.00 -1.71 0.00 0.00 66.02 66.26 1s78 s SER 112 CO -0.00 -0.25 1.75 0.28 1.20 0.00 0.00 173.24 176.22 1s78 h SER 113 N 5.26 0.00 -3.97 5.45 0.02 -1.95 -3.37 113.55 114.99 1s78 h SER 113 Ca -0.29 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.11 1s78 h SER 113 Cb 1.17 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.84 1s78 h SER 113 CO 0.07 0.43 0.66 0.00 -1.14 0.00 0.00 176.83 176.85 1s78 n ALA 114 N -2.39 1.85 -2.87 3.77 0.00 -1.26 -5.02 120.51 114.59 1s78 n ALA 114 Ca -0.01 0.21 -0.37 0.00 0.00 0.00 0.00 53.44 53.27 1s78 n ALA 114 Cb 0.49 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.51 1s78 n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s78 s SER 115 N -0.62 6.34 0.08 0.00 0.01 -1.26 -5.05 113.70 113.20 1s78 s SER 115 Ca 0.65 0.45 -0.35 0.00 1.31 0.00 0.00 55.95 58.01 1s78 s SER 115 Cb -0.44 -2.04 -0.15 0.00 0.21 0.00 0.00 66.02 63.60 1s78 s SER 115 CO 0.55 0.41 1.51 0.35 0.41 0.00 0.00 173.24 176.47 1s78 n THR 116 N 1.98 0.07 -3.69 1.44 -2.24 -1.26 -4.82 114.28 105.76 1s78 n THR 116 Ca -0.20 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 1s78 n THR 116 Cb 0.55 -1.24 -0.15 0.00 -2.10 0.00 0.00 70.33 67.38 1s78 n THR 116 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1s78 s LYS 117 N 1.16 0.04 0.57 -0.78 2.20 -0.70 -4.95 119.74 117.28 1s78 s LYS 117 Ca 0.84 0.51 -0.21 0.00 -0.36 0.00 0.00 55.97 56.74 1s78 s LYS 117 Cb -0.82 -0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 35.20 1s78 s LYS 117 CO 0.44 -0.27 1.31 0.41 -0.36 0.00 0.00 175.35 176.88 1s78 n GLY 118 N 5.02 0.62 3.83 5.54 0.00 -1.26 -2.15 105.19 116.80 1s78 n GLY 118 Ca -0.10 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1s78 n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s78 s PRO 119 N -2.95 4.14 -0.16 1.61 0.05 -1.26 -4.70 135.00 131.73 1s78 s PRO 119 Ca 0.74 1.08 -0.14 0.00 0.05 0.00 0.00 61.00 62.72 1s78 s PRO 119 Cb -0.41 -2.17 -0.05 0.00 0.05 0.00 0.00 34.50 31.93 1s78 s PRO 119 CO 0.47 -0.10 0.32 -1.12 0.05 0.00 0.00 177.00 176.62 1s78 s SER 120 N -2.43 6.45 -0.26 6.66 0.01 -0.22 -4.96 113.70 118.95 1s78 s SER 120 Ca 0.61 0.53 -0.02 0.00 1.31 0.00 0.00 55.95 58.38 1s78 s SER 120 Cb -0.09 -2.20 0.03 0.00 0.21 0.00 0.00 66.02 63.97 1s78 s SER 120 CO 0.18 0.07 -0.04 -0.69 0.41 0.00 0.00 173.24 173.16 1s78 s VAL 121 N 0.61 2.94 0.02 3.43 1.01 -1.26 -0.94 120.40 126.22 1s78 s VAL 121 Ca 0.17 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.14 1s78 s VAL 121 Cb -0.13 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1s78 s VAL 121 CO 0.05 0.14 -0.14 -0.36 0.00 0.00 0.00 175.10 174.79 1s78 s PHE 122 N 1.32 2.67 0.08 5.22 0.08 -0.75 -4.92 117.98 121.68 1s78 s PHE 122 Ca -0.01 -0.18 -0.31 0.00 0.12 0.00 0.00 56.93 56.55 1s78 s PHE 122 Cb -0.17 -1.52 -0.06 0.00 -0.57 0.00 0.00 43.02 40.69 1s78 s PHE 122 CO -0.04 0.28 1.22 -1.25 -0.10 0.00 0.00 175.22 175.33 1s78 s PRO 123 N -1.36 4.43 -0.41 0.24 0.04 -1.26 -1.12 135.00 135.55 1s78 s PRO 123 Ca 0.15 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 1s78 s PRO 123 Cb -0.11 -3.33 0.02 0.00 0.04 0.00 0.00 34.50 31.12 1s78 s PRO 123 CO 0.06 -0.26 0.47 -0.51 0.04 0.00 0.00 177.00 176.79 1s78 s LEU 124 N 0.96 4.74 0.02 -3.56 1.43 -0.35 -4.85 118.68 117.06 1s78 s LEU 124 Ca 0.59 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1s78 s LEU 124 Cb -0.30 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1s78 s LEU 124 CO 0.30 -0.59 0.08 0.00 0.23 0.00 0.00 176.35 176.37 1s78 s ALA 125 N 2.25 3.57 1.22 4.21 0.00 -1.26 -0.03 121.76 131.71 1s78 s ALA 125 Ca 0.14 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 1s78 s ALA 125 Cb -0.16 -1.52 0.28 0.00 0.00 0.00 0.00 23.12 21.72 1s78 s ALA 125 CO 0.14 0.71 1.06 -0.35 0.00 0.00 0.00 175.76 177.33 1s78 n PRO 126 N 0.97 -2.88 -4.00 0.00 -0.04 -1.24 -4.88 135.00 122.93 1s78 n PRO 126 Ca -0.12 -1.70 -0.10 0.00 -0.04 0.00 0.00 63.50 61.55 1s78 n PRO 126 Cb 0.52 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 1s78 n PRO 126 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s78 s SER 127 N -4.44 0.07 0.33 3.54 1.04 -1.26 -4.65 113.70 108.32 1s78 s SER 127 Ca 0.68 -1.03 0.26 0.00 0.48 0.00 0.00 55.95 56.34 1s78 s SER 127 Cb -0.06 0.62 0.72 0.00 0.10 0.00 0.00 66.02 67.40 1s78 s SER 127 CO 0.52 -1.20 1.73 -1.28 0.98 0.00 0.00 173.24 173.99 1s78 h SER 128 N 2.22 0.00 -0.82 7.02 0.87 -1.99 -3.16 113.55 117.68 1s78 h SER 128 Ca -0.27 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 59.78 1s78 h SER 128 Cb 1.25 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.93 1s78 h SER 128 CO 0.36 0.00 0.34 0.29 -0.53 0.00 0.00 176.83 177.29 1s78 n LYS 129 N -2.65 2.54 0.00 2.24 5.02 -1.26 -4.18 118.16 119.88 1s78 n LYS 129 Ca 0.04 -3.34 0.00 0.00 -2.02 0.00 0.00 58.31 52.99 1s78 n LYS 129 Cb 0.43 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 1s78 n LYS 129 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1s78 n SER 130 N -0.99 0.46 -4.55 4.39 2.88 -1.19 -5.04 113.62 109.58 1s78 n SER 130 Ca 0.53 -0.79 -0.37 0.00 -1.33 0.00 0.00 58.87 56.92 1s78 n SER 130 Cb 1.05 0.23 -0.03 0.00 -0.75 0.00 0.00 64.21 64.70 1s78 n SER 130 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1s78 s THR 131 N -0.23 3.13 -1.12 2.46 -1.32 -1.26 -4.59 115.64 112.71 1s78 s THR 131 Ca 0.00 0.07 -0.05 0.00 -1.21 0.00 0.00 61.69 60.50 1s78 s THR 131 Cb 0.00 -3.33 0.28 0.00 -1.51 0.00 0.00 72.50 67.94 1s78 s THR 131 CO 0.00 -0.32 1.57 -1.20 -2.21 0.00 0.00 174.62 172.46 1s78 n SER 132 N 14.87 6.17 0.00 8.08 7.64 -0.96 -4.74 113.62 144.68 1s78 n SER 132 Ca 0.31 -3.36 0.00 0.00 1.01 0.00 0.00 58.87 56.84 1s78 n SER 132 Cb 0.54 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1s78 n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s78 n GLY 133 N 1.61 1.62 0.00 0.23 0.00 -1.26 -2.73 105.19 104.66 1s78 n GLY 133 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1s78 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s78 n GLY 134 N -0.88 0.00 2.84 -0.02 0.00 -1.26 -5.06 105.19 100.81 1s78 n GLY 134 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1s78 n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s78 s THR 135 N 0.00 0.42 0.04 2.61 -4.23 -1.10 -3.46 115.64 109.92 1s78 s THR 135 Ca 0.00 -0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.53 1s78 s THR 135 Cb 0.00 -0.50 -0.02 0.00 1.34 0.00 0.00 72.50 73.32 1s78 s THR 135 CO 0.00 0.22 -0.09 0.00 -0.54 0.00 0.00 174.62 174.21 1s78 s ALA 136 N 1.25 0.70 0.28 3.99 0.00 -0.49 -2.27 121.76 125.22 1s78 s ALA 136 Ca -0.06 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.26 1s78 s ALA 136 Cb -0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1s78 s ALA 136 CO -0.02 0.05 0.17 0.00 0.00 0.00 0.00 175.76 175.97 1s78 s ALA 137 N -1.09 3.55 0.25 0.00 0.00 -1.26 -0.51 121.76 122.69 1s78 s ALA 137 Ca -0.06 -1.56 -0.21 0.00 0.00 0.00 0.00 51.96 50.13 1s78 s ALA 137 Cb -0.08 -1.11 0.04 0.00 0.00 0.00 0.00 23.12 21.97 1s78 s ALA 137 CO 0.01 0.18 0.84 -0.48 0.00 0.00 0.00 175.76 176.30 1s78 s LEU 138 N -3.84 -0.16 0.00 0.00 0.05 -0.57 -3.69 118.68 110.47 1s78 s LEU 138 Ca 0.35 -0.64 0.00 0.00 0.05 0.00 0.00 54.13 53.89 1s78 s LEU 138 Cb -0.07 2.51 0.00 0.00 -2.05 0.00 0.00 46.19 46.59 1s78 s LEU 138 CO 0.24 -1.23 0.00 0.61 -0.55 0.00 0.00 176.35 175.42 1s78 n GLY 139 N -0.50 1.32 2.72 -3.48 0.00 0.96 0.02 105.19 106.24 1s78 n GLY 139 Ca -0.05 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 1s78 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s78 s LEU 141 N 2.21 4.09 -0.96 0.00 2.96 -0.28 -1.85 118.68 124.85 1s78 s LEU 141 Ca 0.04 0.91 -0.10 0.00 -0.22 0.00 0.00 54.13 54.76 1s78 s LEU 141 Cb -0.12 -3.04 0.25 0.00 0.50 0.00 0.00 46.19 43.78 1s78 s LEU 141 CO -0.04 -0.42 0.92 -0.69 -1.32 0.00 0.00 176.35 174.80 1s78 s VAL 142 N 2.54 5.57 0.14 1.68 1.01 0.14 -1.81 120.40 129.68 1s78 s VAL 142 Ca 0.31 -3.12 -0.16 0.00 0.00 0.00 0.00 61.98 59.02 1s78 s VAL 142 Cb -0.16 -4.40 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 1s78 s VAL 142 CO 0.09 -1.10 0.57 -0.75 0.00 0.00 0.00 175.10 173.90 1s78 s LYS 143 N -0.71 4.04 -0.34 2.72 2.20 -0.11 -2.89 119.74 124.65 1s78 s LYS 143 Ca 0.25 0.57 -0.06 0.00 -0.36 0.00 0.00 55.97 56.37 1s78 s LYS 143 Cb -0.10 -2.97 0.01 0.00 -1.51 0.00 0.00 37.83 33.25 1s78 s LYS 143 CO -0.09 0.49 0.20 -0.25 -0.36 0.00 0.00 175.35 175.35 1s78 n ASP 144 N 0.93 -7.92 -3.85 1.43 8.00 -1.01 -1.06 116.55 113.07 1s78 n ASP 144 Ca -0.06 1.08 -0.09 0.00 0.71 0.00 0.00 54.79 56.44 1s78 n ASP 144 Cb 0.52 -5.14 -0.07 0.00 -0.02 0.00 0.00 41.12 36.40 1s78 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1s78 s TYR 145 N -1.92 0.13 -0.24 1.24 1.13 -0.63 -3.98 117.35 113.08 1s78 s TYR 145 Ca 0.09 -0.53 -0.20 0.00 -1.41 0.00 0.00 57.07 55.02 1s78 s TYR 145 Cb -0.02 -0.05 0.06 0.00 -1.10 0.00 0.00 41.96 40.85 1s78 s TYR 145 CO 0.75 -0.53 0.63 0.12 -2.51 0.00 0.00 175.55 174.01 1s78 s PHE 146 N -3.68 -0.75 0.00 -3.49 2.19 -0.91 -0.47 117.98 110.88 1s78 s PHE 146 Ca 0.03 1.74 0.00 0.00 0.33 0.00 0.00 56.93 59.03 1s78 s PHE 146 Cb 0.04 0.30 0.00 0.00 -1.31 0.00 0.00 43.02 42.05 1s78 s PHE 146 CO -0.10 -0.37 0.00 -0.35 1.83 0.00 0.00 175.22 176.23 1s78 n PRO 147 N 3.08 2.87 -1.65 10.12 -0.04 -1.26 -1.72 135.00 146.40 1s78 n PRO 147 Ca -0.15 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.97 1s78 n PRO 147 Cb 0.56 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.09 1s78 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1s78 s GLU 148 N 2.67 2.50 0.32 0.54 0.41 -1.26 -4.72 118.70 119.17 1s78 s GLU 148 Ca 0.00 1.65 0.04 0.00 -0.41 0.00 0.00 54.97 56.25 1s78 s GLU 148 Cb 0.00 -1.89 0.04 0.00 -1.78 0.00 0.00 34.13 30.50 1s78 s GLU 148 CO 0.00 -1.53 0.31 -0.35 -0.49 0.00 0.00 175.26 173.20 1s78 n PRO 149 N -2.41 0.95 -4.35 0.39 -0.04 -1.26 -4.97 135.00 123.30 1s78 n PRO 149 Ca 0.12 -1.94 -0.29 0.00 -0.04 0.00 0.00 63.50 61.36 1s78 n PRO 149 Cb 0.51 0.11 -0.06 0.00 -0.04 0.00 0.00 33.50 34.01 1s78 n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1s78 s VAL 150 N -1.43 1.63 -0.14 0.52 -7.23 -1.26 -4.55 120.40 107.94 1s78 s VAL 150 Ca 0.23 -1.78 -0.04 0.00 -1.81 0.00 0.00 61.98 58.58 1s78 s VAL 150 Cb -0.02 -2.41 0.06 0.00 0.56 0.00 0.00 36.38 34.57 1s78 s VAL 150 CO 0.15 0.00 0.11 0.42 -0.31 0.00 0.00 175.10 175.47 1s78 s THR 151 N -2.77 -0.15 -0.34 5.32 -4.23 -1.09 -4.99 115.64 107.39 1s78 s THR 151 Ca 0.24 0.01 -0.13 0.00 -1.18 0.00 0.00 61.69 60.63 1s78 s THR 151 Cb 0.02 -0.48 -0.01 0.00 1.34 0.00 0.00 72.50 73.36 1s78 s THR 151 CO 0.14 -0.14 0.24 -0.69 -0.54 0.00 0.00 174.62 173.62 1s78 s VAL 152 N 2.19 5.22 0.25 2.29 1.01 -1.26 -1.93 120.40 128.17 1s78 s VAL 152 Ca 0.03 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 61.86 1s78 s VAL 152 Cb -0.15 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1s78 s VAL 152 CO -0.08 -0.02 -0.11 -0.94 0.00 0.00 0.00 175.10 173.95 1s78 s SER 153 N 1.71 4.05 -0.03 3.32 1.04 -0.76 -4.98 113.70 118.06 1s78 s SER 153 Ca 0.06 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 55.78 1s78 s SER 153 Cb -0.17 -0.58 -0.02 0.00 0.10 0.00 0.00 66.02 65.35 1s78 s SER 153 CO 0.10 0.05 -0.25 0.26 0.98 0.00 0.00 173.24 174.38 1s78 s TRP 154 N -2.20 2.37 -1.18 5.02 0.52 -1.26 0.82 118.94 123.03 1s78 s TRP 154 Ca 0.29 -0.44 -0.16 0.00 0.02 0.00 0.00 56.10 55.80 1s78 s TRP 154 Cb -0.07 -1.52 -0.01 0.00 -1.15 0.00 0.00 33.47 30.72 1s78 s TRP 154 CO 0.16 -0.04 0.74 0.09 0.02 0.00 0.00 176.95 177.93 1s78 n ASN 155 N 2.48 -4.40 0.00 2.95 4.13 0.89 -0.93 115.26 120.37 1s78 n ASN 155 Ca -0.16 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.11 1s78 n ASN 155 Cb 0.51 -3.47 0.00 0.00 -1.54 0.00 0.00 39.78 35.28 1s78 n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1s78 n SER 156 N -2.77 0.00 0.00 6.41 7.64 -1.26 -2.00 113.62 121.64 1s78 n SER 156 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1s78 n SER 156 Cb 0.61 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1s78 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s78 n GLY 157 N -1.75 0.96 0.12 0.23 0.00 -0.11 -5.06 105.19 99.57 1s78 n GLY 157 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1s78 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s78 h ALA 158 N 0.00 0.14 -2.58 4.61 0.00 -1.19 -3.46 119.26 116.78 1s78 h ALA 158 Ca 0.00 -1.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.37 1s78 h ALA 158 Cb 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1s78 h ALA 158 CO 0.00 0.68 0.24 -1.17 0.00 0.00 0.00 179.25 179.00 1s78 s LEU 159 N -7.69 4.41 0.00 0.00 2.96 -1.23 -4.89 118.68 112.25 1s78 s LEU 159 Ca -0.20 1.52 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 1s78 s LEU 159 Cb 0.03 -3.36 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1s78 s LEU 159 CO 0.74 -0.10 0.00 0.35 -1.32 0.00 0.00 176.35 176.02 1s78 n THR 160 N 3.29 0.00 -2.78 3.68 -2.24 -1.26 -4.41 114.28 110.54 1s78 n THR 160 Ca 0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 1s78 n THR 160 Cb 0.50 -0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1s78 n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1s78 s SER 161 N -0.42 7.16 0.00 3.42 0.01 -1.26 -3.27 113.70 119.34 1s78 s SER 161 Ca 0.00 1.42 0.00 0.00 1.31 0.00 0.00 55.95 58.68 1s78 s SER 161 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1s78 s SER 161 CO 0.00 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1s78 n GLY 162 N 3.16 0.96 3.79 3.44 0.00 -1.26 -4.67 105.19 110.61 1s78 n GLY 162 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1s78 n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s78 s VAL 163 N -2.44 3.60 -0.34 1.61 0.11 -1.20 -2.33 120.40 119.41 1s78 s VAL 163 Ca 0.00 0.93 0.04 0.00 -2.93 0.00 0.00 61.98 60.02 1s78 s VAL 163 Cb 0.00 -3.37 0.16 0.00 -1.53 0.00 0.00 36.38 31.64 1s78 s VAL 163 CO 0.00 -0.28 0.45 -1.00 -3.33 0.00 0.00 175.10 170.94 1s78 s HIS 164 N -2.04 -0.96 -0.59 1.54 3.76 0.35 -4.95 115.29 112.40 1s78 s HIS 164 Ca 0.68 -0.00 -0.21 0.00 -0.15 0.00 0.00 55.06 55.38 1s78 s HIS 164 Cb -0.18 -0.13 0.07 0.00 1.11 0.00 0.00 32.58 33.45 1s78 s HIS 164 CO 0.26 -1.02 0.80 0.99 -0.85 0.00 0.00 174.74 174.92 1s78 s THR 165 N 2.10 4.61 0.75 1.30 2.01 -1.26 -2.05 115.64 123.10 1s78 s THR 165 Ca 0.13 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 1s78 s THR 165 Cb -0.12 -4.52 0.05 0.00 0.01 0.00 0.00 72.50 67.93 1s78 s THR 165 CO -0.18 -1.16 1.19 -0.36 -0.69 0.00 0.00 174.62 173.43 1s78 s PHE 166 N 3.29 2.03 0.50 4.92 0.40 -0.87 -4.99 117.98 123.26 1s78 s PHE 166 Ca 0.18 1.62 -0.23 0.00 -0.60 0.00 0.00 56.93 57.90 1s78 s PHE 166 Cb -0.19 -3.44 -0.06 0.00 0.51 0.00 0.00 43.02 39.84 1s78 s PHE 166 CO 0.11 -2.59 1.33 -2.14 0.70 0.00 0.00 175.22 172.62 1s78 s PRO 167 N -4.03 3.44 0.70 0.24 0.02 -1.26 -4.73 135.00 129.38 1s78 s PRO 167 Ca 0.73 2.17 -0.13 0.00 0.02 0.00 0.00 61.00 63.79 1s78 s PRO 167 Cb -0.28 -2.41 0.02 0.00 0.02 0.00 0.00 34.50 31.85 1s78 s PRO 167 CO 0.47 -0.93 1.09 0.00 -0.33 0.00 0.00 177.00 177.30 1s78 s ALA 168 N -1.33 2.45 -0.11 -1.55 0.00 -1.26 -4.74 121.76 115.22 1s78 s ALA 168 Ca 0.67 0.35 0.03 0.00 0.00 0.00 0.00 51.96 53.00 1s78 s ALA 168 Cb -0.38 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1s78 s ALA 168 CO 0.47 -1.40 -0.22 0.14 0.00 0.00 0.00 175.76 174.75 1s78 s VAL 169 N -2.68 1.98 -0.18 0.00 -7.23 -1.15 -4.91 120.40 106.23 1s78 s VAL 169 Ca 0.63 -0.95 -0.29 0.00 -1.81 0.00 0.00 61.98 59.55 1s78 s VAL 169 Cb -0.18 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 1s78 s VAL 169 CO 0.49 0.54 1.35 -0.22 -0.31 0.00 0.00 175.10 176.95 1s78 s LEU 170 N 0.59 4.13 0.00 1.32 2.96 -1.26 -2.07 118.68 124.34 1s78 s LEU 170 Ca -0.13 1.68 -0.10 0.00 -0.22 0.00 0.00 54.13 55.36 1s78 s LEU 170 Cb -0.17 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 43.12 1s78 s LEU 170 CO 0.04 -0.87 0.82 0.00 -1.32 0.00 0.00 176.35 175.02 1s78 n GLN 171 N 6.88 -0.76 0.11 1.98 6.02 0.33 -4.93 117.38 127.00 1s78 n GLN 171 Ca 0.15 -1.31 0.00 0.00 -0.01 0.00 0.00 57.00 55.83 1s78 n GLN 171 Cb 0.45 -0.83 0.30 0.00 1.02 0.00 0.00 30.24 31.18 1s78 n GLN 171 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1s78 h SER 172 N -1.06 0.23 0.34 1.08 0.02 -1.95 -3.07 113.55 109.14 1s78 h SER 172 Ca -0.27 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1s78 h SER 172 Cb 0.74 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1s78 h SER 172 CO 0.19 0.51 0.00 -1.54 -1.14 0.00 0.00 176.83 174.85 1s78 n SER 173 N -4.14 0.00 0.00 3.07 3.41 -1.26 -4.80 113.62 109.90 1s78 n SER 173 Ca -0.01 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1s78 n SER 173 Cb 0.38 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1s78 n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s78 n GLY 174 N -0.28 0.71 3.63 5.00 0.00 -1.16 -4.96 105.19 108.13 1s78 n GLY 174 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1s78 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s78 s LEU 175 N 0.00 3.17 0.47 0.99 1.43 -1.26 -4.84 118.68 118.65 1s78 s LEU 175 Ca 0.00 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1s78 s LEU 175 Cb 0.00 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1s78 s LEU 175 CO 0.00 0.07 0.69 -0.31 0.23 0.00 0.00 176.35 177.03 1s78 s TYR 176 N -1.86 3.11 -0.30 0.29 2.02 0.38 0.12 117.35 121.11 1s78 s TYR 176 Ca 0.28 0.13 -0.12 0.00 -0.37 0.00 0.00 57.07 56.99 1s78 s TYR 176 Cb -0.08 -2.42 0.18 0.00 -0.40 0.00 0.00 41.96 39.23 1s78 s TYR 176 CO 0.18 -0.48 0.99 0.45 -1.57 0.00 0.00 175.55 175.11 1s78 s SER 177 N -4.27 -0.59 0.42 2.29 0.15 -0.88 -1.61 113.70 109.21 1s78 s SER 177 Ca 0.51 0.48 0.07 0.00 0.70 0.00 0.00 55.95 57.70 1s78 s SER 177 Cb -0.10 1.54 -0.05 0.00 -1.71 0.00 0.00 66.02 65.69 1s78 s SER 177 CO 0.38 -0.11 0.12 -1.48 1.20 0.00 0.00 173.24 173.35 1s78 s LEU 178 N 2.79 2.97 0.26 3.45 0.05 -1.14 -2.95 118.68 124.11 1s78 s LEU 178 Ca 0.01 -1.22 0.05 0.00 0.05 0.00 0.00 54.13 53.02 1s78 s LEU 178 Cb -0.10 -1.20 -0.06 0.00 -2.05 0.00 0.00 46.19 42.79 1s78 s LEU 178 CO -0.14 -0.56 -0.03 -0.94 -0.55 0.00 0.00 176.35 174.13 1s78 s SER 179 N -3.86 2.30 -0.16 1.48 1.04 -1.26 0.26 113.70 113.49 1s78 s SER 179 Ca 0.36 -1.21 -0.03 0.00 0.48 0.00 0.00 55.95 55.56 1s78 s SER 179 Cb 0.05 -0.08 0.05 0.00 0.10 0.00 0.00 66.02 66.15 1s78 s SER 179 CO 0.20 -0.43 0.03 -0.55 0.98 0.00 0.00 173.24 173.47 1s78 s SER 180 N -3.38 2.54 0.37 7.02 0.15 -0.77 -2.06 113.70 117.57 1s78 s SER 180 Ca 0.29 -0.63 0.05 0.00 0.70 0.00 0.00 55.95 56.36 1s78 s SER 180 Cb 0.05 -0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1s78 s SER 180 CO 0.10 -0.29 0.53 0.68 1.20 0.00 0.00 173.24 175.47 1s78 s VAL 181 N 1.92 3.98 -0.14 4.45 -7.23 -0.87 -2.41 120.40 120.10 1s78 s VAL 181 Ca 0.01 -0.87 -0.14 0.00 -1.81 0.00 0.00 61.98 59.17 1s78 s VAL 181 Cb -0.16 -3.40 0.04 0.00 0.56 0.00 0.00 36.38 33.42 1s78 s VAL 181 CO -0.07 -0.19 0.39 0.54 -0.31 0.00 0.00 175.10 175.46 1s78 s VAL 182 N -2.29 0.00 -0.19 1.32 0.11 0.10 -0.50 120.40 118.96 1s78 s VAL 182 Ca 0.46 -0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.39 1s78 s VAL 182 Cb -0.10 -0.56 -0.05 0.00 -1.53 0.00 0.00 36.38 34.14 1s78 s VAL 182 CO 0.33 -0.02 0.13 0.42 -3.33 0.00 0.00 175.10 172.63 1s78 s THR 183 N 0.09 5.41 0.03 5.04 -4.23 -0.98 -1.50 115.64 119.49 1s78 s THR 183 Ca -0.01 0.19 0.01 0.00 -1.18 0.00 0.00 61.69 60.70 1s78 s THR 183 Cb -0.03 -3.46 -0.02 0.00 1.34 0.00 0.00 72.50 70.33 1s78 s THR 183 CO 0.01 0.46 -0.06 0.68 -0.54 0.00 0.00 174.62 175.17 1s78 s VAL 184 N 0.24 0.39 0.54 2.29 -7.23 0.33 -4.62 120.40 112.34 1s78 s VAL 184 Ca 0.09 -0.83 -0.22 0.00 -1.81 0.00 0.00 61.98 59.20 1s78 s VAL 184 Cb -0.11 -0.45 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 1s78 s VAL 184 CO -0.01 -0.30 1.34 -0.81 -0.31 0.00 0.00 175.10 175.00 1s78 n PRO 185 N 1.84 1.68 0.00 4.82 -0.04 -1.26 -1.40 135.00 140.64 1s78 n PRO 185 Ca -0.21 0.62 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 1s78 n PRO 185 Cb 0.56 -2.55 0.58 0.00 -0.04 0.00 0.00 33.50 32.05 1s78 n PRO 185 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1s78 n SER 186 N -0.91 0.15 0.20 3.54 7.64 -1.22 -3.18 113.62 119.84 1s78 n SER 186 Ca 0.10 0.12 0.08 0.00 1.01 0.00 0.00 58.87 60.18 1s78 n SER 186 Cb 0.44 -0.28 0.37 0.00 -1.01 0.00 0.00 64.21 63.74 1s78 n SER 186 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1s78 h SER 187 N 0.08 0.00 -1.73 6.43 0.87 -1.92 -3.26 113.55 114.02 1s78 h SER 187 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 1s78 h SER 187 Cb 0.44 0.00 -0.42 0.00 -0.44 0.00 0.00 62.40 61.99 1s78 h SER 187 CO 0.00 0.31 -0.77 -1.54 -0.53 0.00 0.00 176.83 174.30 1s78 n SER 188 N -3.44 4.17 -0.13 6.23 3.41 -1.19 -4.79 113.62 117.88 1s78 n SER 188 Ca 0.00 -3.59 -0.25 0.00 -0.26 0.00 0.00 58.87 54.77 1s78 n SER 188 Cb 0.49 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 1s78 n SER 188 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1s78 n LEU 189 N -0.34 1.93 -0.45 1.04 -0.00 -1.23 -3.77 117.00 114.19 1s78 n LEU 189 Ca 0.33 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.71 1s78 n LEU 189 Cb 0.59 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 1s78 n LEU 189 CO 0.32 0.39 0.26 0.61 -0.00 0.00 0.00 177.39 178.98 1s78 n GLY 190 N 1.32 1.16 0.45 -3.96 0.00 -1.26 -3.89 105.19 99.02 1s78 n GLY 190 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1s78 n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s78 n THR 191 N -0.03 0.00 -3.07 2.61 -2.24 -1.26 -5.07 114.28 105.22 1s78 n THR 191 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 1s78 n THR 191 Cb 0.21 -0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 67.91 1s78 n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1s78 s GLN 192 N -1.65 4.33 0.03 -0.78 2.00 -1.25 -5.05 119.66 117.30 1s78 s GLN 192 Ca 0.00 0.78 -0.28 0.00 -2.00 0.00 0.00 55.36 53.86 1s78 s GLN 192 Cb 0.00 -3.51 -0.04 0.00 0.80 0.00 0.00 33.01 30.26 1s78 s GLN 192 CO 0.00 -0.10 0.91 0.99 -0.50 0.00 0.00 175.29 176.59 1s78 s THR 193 N 1.38 4.76 -0.60 -0.34 2.01 -1.26 -4.89 115.64 116.70 1s78 s THR 193 Ca 0.34 1.92 0.04 0.00 0.31 0.00 0.00 61.69 64.30 1s78 s THR 193 Cb -0.17 -4.25 0.15 0.00 0.01 0.00 0.00 72.50 68.24 1s78 s THR 193 CO 0.14 0.25 0.38 -0.31 -0.69 0.00 0.00 174.62 174.39 1s78 s TYR 194 N 0.50 3.18 0.07 4.92 2.02 -1.26 -4.95 117.35 121.84 1s78 s TYR 194 Ca 0.46 -3.16 -0.25 0.00 -0.37 0.00 0.00 57.07 53.76 1s78 s TYR 194 Cb -0.21 -2.60 -0.06 0.00 -0.40 0.00 0.00 41.96 38.69 1s78 s TYR 194 CO 0.27 -0.65 0.76 0.42 -1.57 0.00 0.00 175.55 174.77 1s78 s ILE 195 N -0.81 4.65 -0.22 2.71 1.01 -1.26 -2.18 121.20 125.09 1s78 s ILE 195 Ca 0.22 1.63 -0.09 0.00 0.00 0.00 0.00 60.65 62.40 1s78 s ILE 195 Cb -0.14 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1s78 s ILE 195 CO -0.09 0.41 0.12 0.00 0.00 0.00 0.00 174.94 175.38 1s78 s ASN 197 N 0.81 6.42 -0.13 0.00 -0.87 0.24 -3.77 114.94 117.63 1s78 s ASN 197 Ca 0.06 -1.55 -0.24 0.00 -1.57 0.00 0.00 52.86 49.57 1s78 s ASN 197 Cb -0.13 -2.41 -0.03 0.00 -0.02 0.00 0.00 41.25 38.66 1s78 s ASN 197 CO 0.02 -1.25 0.74 -0.69 -2.57 0.00 0.00 177.10 173.35 1s78 s VAL 198 N 3.41 4.98 0.19 1.60 1.01 -0.98 -1.83 120.40 128.78 1s78 s VAL 198 Ca 0.28 1.46 0.10 0.00 0.00 0.00 0.00 61.98 63.82 1s78 s VAL 198 Cb -0.10 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1s78 s VAL 198 CO -0.01 0.14 -0.13 0.21 0.00 0.00 0.00 175.10 175.31 1s78 s ASN 199 N 1.02 4.06 -0.30 3.32 3.84 -0.81 -1.54 114.94 124.53 1s78 s ASN 199 Ca 0.36 -0.66 0.03 0.00 0.21 0.00 0.00 52.86 52.80 1s78 s ASN 199 Cb -0.17 -0.61 0.17 0.00 -0.55 0.00 0.00 41.25 40.09 1s78 s ASN 199 CO 0.14 0.10 0.44 -2.28 -2.79 0.00 0.00 177.10 172.71 1s78 s HIS 200 N -1.75 -1.10 0.09 0.43 5.65 -0.39 -2.68 115.29 115.53 1s78 s HIS 200 Ca 0.24 0.34 -0.17 0.00 0.25 0.00 0.00 55.06 55.73 1s78 s HIS 200 Cb -0.08 -0.10 -0.09 0.00 -1.18 0.00 0.00 32.58 31.13 1s78 s HIS 200 CO 0.14 -1.01 1.44 0.87 -0.65 0.00 0.00 174.74 175.53 1s78 h LYS 201 N 8.04 0.58 0.00 2.88 1.79 -1.85 -0.79 116.57 127.22 1s78 h LYS 201 Ca -0.06 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1s78 h LYS 201 Cb 1.13 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1s78 h LYS 201 CO 0.24 0.84 0.00 -1.35 -1.08 0.00 0.00 179.45 178.10 1s78 h PRO 202 N 0.30 0.00 -0.03 3.15 0.11 -1.93 -2.83 132.00 130.78 1s78 h PRO 202 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1s78 h PRO 202 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1s78 h PRO 202 CO 0.04 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.28 1s78 n SER 203 N -2.82 1.65 -3.01 -2.05 2.88 -1.22 -4.99 113.62 104.08 1s78 n SER 203 Ca -0.00 -1.56 -0.22 0.00 -1.33 0.00 0.00 58.87 55.76 1s78 n SER 203 Cb 0.19 -0.02 0.03 0.00 -0.75 0.00 0.00 64.21 63.67 1s78 n SER 203 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1s78 n ASN 204 N -0.15 -5.90 -4.57 -3.46 5.15 -0.54 -4.88 115.26 100.92 1s78 n ASN 204 Ca 0.01 -0.28 -0.37 0.00 -0.60 0.00 0.00 54.58 53.35 1s78 n ASN 204 Cb 0.16 -4.78 -0.11 0.00 -0.53 0.00 0.00 39.78 34.52 1s78 n ASN 204 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1s78 s THR 205 N -3.15 4.91 -0.86 -0.44 -4.23 -0.42 -4.98 115.64 106.47 1s78 s THR 205 Ca 0.29 0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.83 1s78 s THR 205 Cb -0.13 -3.29 0.21 0.00 1.34 0.00 0.00 72.50 70.63 1s78 s THR 205 CO 0.36 0.34 0.74 0.29 -0.54 0.00 0.00 174.62 175.81 1s78 n LYS 206 N 4.56 2.50 -2.95 3.99 5.02 -1.26 -1.26 118.16 128.76 1s78 n LYS 206 Ca -0.15 -4.49 -0.41 0.00 -2.02 0.00 0.00 58.31 51.24 1s78 n LYS 206 Cb 0.52 -2.39 -0.04 0.00 -0.02 0.00 0.00 35.03 33.10 1s78 n LYS 206 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s78 s VAL 207 N -1.43 4.92 -0.52 -0.18 1.01 -0.59 -4.99 120.40 118.62 1s78 s VAL 207 Ca 0.27 1.51 -0.04 0.00 0.00 0.00 0.00 61.98 63.73 1s78 s VAL 207 Cb -0.06 -4.09 0.14 0.00 0.00 0.00 0.00 36.38 32.37 1s78 s VAL 207 CO -0.13 0.05 0.34 -1.81 0.00 0.00 0.00 175.10 173.55 1s78 s ASP 208 N 1.16 5.35 -0.14 3.32 1.01 -1.26 -2.32 116.67 123.79 1s78 s ASP 208 Ca 0.36 -2.40 -0.02 0.00 0.71 0.00 0.00 52.55 51.20 1s78 s ASP 208 Cb -0.16 -1.87 -0.02 0.00 1.01 0.00 0.00 42.92 41.87 1s78 s ASP 208 CO 0.12 -0.49 -0.07 -0.75 0.21 0.00 0.00 175.17 174.19 1s78 s LYS 209 N 0.61 3.46 -0.12 8.23 2.47 -1.25 -5.03 119.74 128.13 1s78 s LYS 209 Ca 0.12 -0.57 -0.09 0.00 -1.56 0.00 0.00 55.97 53.87 1s78 s LYS 209 Cb -0.22 -2.79 -0.04 0.00 -1.46 0.00 0.00 37.83 33.32 1s78 s LYS 209 CO -0.04 0.29 0.18 0.15 0.16 0.00 0.00 175.35 176.10 1s78 s LYS 210 N 0.19 3.66 -0.27 4.03 3.01 -1.26 -2.88 119.74 126.21 1s78 s LYS 210 Ca -0.04 -0.06 -0.10 0.00 -1.01 0.00 0.00 55.97 54.76 1s78 s LYS 210 Cb -0.14 -3.24 -0.05 0.00 -1.01 0.00 0.00 37.83 33.39 1s78 s LYS 210 CO 0.04 0.67 0.17 0.08 0.51 0.00 0.00 175.35 176.81 1s78 s VAL 211 N -0.75 5.17 0.19 3.17 1.01 -0.93 -4.90 120.40 123.36 1s78 s VAL 211 Ca 0.15 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1s78 s VAL 211 Cb -0.13 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1s78 s VAL 211 CO 0.04 0.27 -0.07 -1.61 0.00 0.00 0.00 175.10 173.73 1s78 s GLU 212 N 1.66 1.21 0.54 2.72 0.41 -1.26 -4.36 118.70 119.62 1s78 s GLU 212 Ca 0.07 -1.56 -0.18 0.00 -0.41 0.00 0.00 54.97 52.89 1s78 s GLU 212 Cb -0.16 -0.71 -0.06 0.00 -1.78 0.00 0.00 34.13 31.42 1s78 s GLU 212 CO 0.09 0.03 1.04 -1.25 -0.49 0.00 0.00 175.26 174.68 1s78 s PRO 213 N -3.77 3.59 0.31 0.39 0.04 -1.26 -4.61 135.00 129.69 1s78 s PRO 213 Ca 0.22 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.55 1s78 s PRO 213 Cb 0.03 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1s78 s PRO 213 CO 0.05 -0.59 0.34 0.15 0.04 0.00 0.00 177.00 176.99 1s78 s LYS 214 N -3.76 2.96 -0.92 4.56 1.02 -1.26 -5.02 119.74 117.33 1s78 s LYS 214 Ca 0.64 -1.11 -0.08 0.00 0.02 0.00 0.00 55.97 55.44 1s78 s LYS 214 Cb -0.15 -2.65 -0.16 0.00 -0.52 0.00 0.00 37.83 34.35 1s78 s LYS 214 CO 0.30 0.17 3.25 0.45 -0.92 0.00 0.00 175.35 178.59 1s78 n SER 215 N -1.44 7.24 0.00 2.83 2.88 -1.26 -5.05 113.62 118.82 1s78 n SER 215 Ca -0.03 -2.54 0.05 0.00 -1.33 0.00 0.00 58.87 55.01 1s78 n SER 215 Cb 0.59 -1.50 0.27 0.00 -0.75 0.00 0.00 64.21 62.82 1s78 n SER 215 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81