#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsg s VAL 2 N 0.00 4.35 -0.04 -0.39 1.01 -1.26 -3.84 120.40 120.22 2gsg s VAL 2 Ca 0.00 1.64 0.03 0.00 0.00 0.00 0.00 61.98 63.65 2gsg s VAL 2 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2gsg s VAL 2 CO 0.00 -0.11 -0.13 -1.10 0.00 0.00 0.00 175.10 173.76 2gsg s GLN 3 N 3.17 1.43 -0.09 2.72 -0.21 0.76 -5.00 119.66 122.44 2gsg s GLN 3 Ca 0.53 -0.45 -0.00 0.00 0.02 0.00 0.00 55.36 55.46 2gsg s GLN 3 Cb -0.21 -1.26 0.02 0.00 1.00 0.00 0.00 33.01 32.57 2gsg s GLN 3 CO 0.15 0.15 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.89 2gsg s LEU 4 N 0.22 1.15 -0.26 2.90 1.43 -1.26 -1.33 118.68 121.53 2gsg s LEU 4 Ca -0.05 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 2gsg s LEU 4 Cb -0.11 -0.73 0.07 0.00 0.03 0.00 0.00 46.19 45.45 2gsg s LEU 4 CO 0.02 -0.11 -0.00 -1.58 0.23 0.00 0.00 176.35 174.91 2gsg s GLN 5 N 1.54 1.33 0.67 1.70 2.00 -0.31 -3.22 119.66 123.37 2gsg s GLN 5 Ca 0.01 -1.08 -0.10 0.00 -2.00 0.00 0.00 55.36 52.18 2gsg s GLN 5 Cb -0.13 -2.52 0.01 0.00 0.80 0.00 0.00 33.01 31.17 2gsg s GLN 5 CO -0.05 -0.73 1.04 -1.21 -0.50 0.00 0.00 175.29 173.84 2gsg s GLU 6 N 1.41 2.96 -0.06 1.67 8.01 -1.26 -1.28 118.70 130.15 2gsg s GLU 6 Ca 0.00 0.38 -0.31 0.00 0.01 0.00 0.00 54.97 55.05 2gsg s GLU 6 Cb -0.18 -2.09 0.12 0.00 -4.31 0.00 0.00 34.13 27.66 2gsg s GLU 6 CO -0.10 -0.90 1.14 -1.54 0.01 0.00 0.00 175.26 173.86 2gsg s SER 7 N -4.33 -0.16 0.00 -0.19 1.04 -0.19 -4.85 113.70 105.03 2gsg s SER 7 Ca 0.57 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2gsg s SER 7 Cb -0.11 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2gsg s SER 7 CO 0.50 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.91 2gsg n GLY 8 N -0.29 0.73 3.60 7.32 0.00 -1.26 0.11 105.19 115.40 2gsg n GLY 8 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2gsg n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsg n GLY 9 N -1.03 -2.15 0.00 -0.02 0.00 -1.26 -4.73 105.19 95.99 2gsg n GLY 9 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2gsg n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsg n GLY 10 N -4.07 -0.32 3.71 -0.02 0.00 -0.47 -4.98 105.19 99.03 2gsg n GLY 10 Ca 0.16 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 2gsg n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gsg s LEU 11 N 0.00 4.31 0.07 0.99 1.43 -1.26 -1.28 118.68 122.94 2gsg s LEU 11 Ca 0.00 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 2gsg s LEU 11 Cb 0.00 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 2gsg s LEU 11 CO 0.00 -0.18 -0.06 0.68 0.23 0.00 0.00 176.35 177.02 2gsg s VAL 12 N 1.03 0.50 0.29 -1.59 -7.23 0.19 -4.95 120.40 108.64 2gsg s VAL 12 Ca 0.41 -1.64 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 2gsg s VAL 12 Cb -0.18 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 2gsg s VAL 12 CO 0.19 -0.77 0.46 -1.10 -0.31 0.00 0.00 175.10 173.58 2gsg s GLN 13 N -3.18 3.48 0.52 4.82 -0.21 -1.26 -1.77 119.66 122.05 2gsg s GLN 13 Ca 0.04 -0.47 -0.22 0.00 0.02 0.00 0.00 55.36 54.73 2gsg s GLN 13 Cb 0.01 -2.76 -0.06 0.00 1.00 0.00 0.00 33.01 31.21 2gsg s GLN 13 CO -0.05 0.28 1.32 -2.14 -2.12 0.00 0.00 175.29 172.58 2gsg s PRO 14 N -4.05 3.34 0.00 2.91 0.02 -1.26 -1.33 135.00 134.63 2gsg s PRO 14 Ca 0.38 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.54 2gsg s PRO 14 Cb -0.10 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 32.09 2gsg s PRO 14 CO 0.33 -1.00 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 2gsg n GLY 15 N 0.65 2.94 3.88 0.52 0.00 -0.13 -4.89 105.19 108.15 2gsg n GLY 15 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2gsg n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gsg s GLY 16 N -1.49 1.77 0.04 -0.02 0.00 -0.44 -4.07 107.32 103.11 2gsg s GLY 16 Ca 0.00 -1.23 -0.13 0.00 0.00 0.00 0.00 44.72 43.35 2gsg s GLY 16 CO 0.00 -0.41 0.29 -1.35 0.00 0.00 0.00 173.10 171.63 2gsg s SER 17 N -4.77 -0.11 0.19 1.64 1.04 -1.26 -1.35 113.70 109.08 2gsg s SER 17 Ca 0.75 -0.20 -0.19 0.00 0.48 0.00 0.00 55.95 56.79 2gsg s SER 17 Cb -0.04 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.47 2gsg s SER 17 CO 0.54 -0.61 0.55 -1.48 0.98 0.00 0.00 173.24 173.22 2gsg s LEU 18 N -2.06 -0.06 -0.17 2.42 2.34 -0.33 -5.00 118.68 115.83 2gsg s LEU 18 Ca -0.05 -0.39 0.01 0.00 0.06 0.00 0.00 54.13 53.76 2gsg s LEU 18 Cb -0.01 2.26 0.02 0.00 -0.56 0.00 0.00 46.19 47.90 2gsg s LEU 18 CO -0.03 -1.05 -0.20 -0.75 -1.06 0.00 0.00 176.35 173.25 2gsg s LYS 19 N -3.85 2.97 0.38 1.48 2.20 -1.26 0.16 119.74 121.82 2gsg s LYS 19 Ca 0.07 -0.83 -0.11 0.00 -0.36 0.00 0.00 55.97 54.75 2gsg s LYS 19 Cb -0.01 -2.51 -0.07 0.00 -1.51 0.00 0.00 37.83 33.73 2gsg s LYS 19 CO -0.04 -0.15 0.74 -0.51 -0.36 0.00 0.00 175.35 175.03 2gsg s LEU 20 N 1.15 3.89 0.18 5.43 1.43 0.50 -4.72 118.68 126.54 2gsg s LEU 20 Ca 0.01 1.11 0.08 0.00 -1.03 0.00 0.00 54.13 54.30 2gsg s LEU 20 Cb -0.14 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 2gsg s LEU 20 CO -0.10 -0.35 -0.16 -0.44 0.23 0.00 0.00 176.35 175.54 2gsg s SER 21 N -3.02 2.54 -0.21 2.29 0.01 0.12 -2.03 113.70 113.40 2gsg s SER 21 Ca 0.51 -0.94 -0.04 0.00 1.31 0.00 0.00 55.95 56.79 2gsg s SER 21 Cb -0.10 -0.14 0.11 0.00 0.21 0.00 0.00 66.02 66.10 2gsg s SER 21 CO 0.29 -0.12 0.32 0.00 0.41 0.00 0.00 173.24 174.14 2gsg s ALA 23 N 2.47 3.54 0.19 0.00 0.00 -0.40 -0.64 121.76 126.92 2gsg s ALA 23 Ca 0.08 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.70 2gsg s ALA 23 Cb -0.15 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 2gsg s ALA 23 CO -0.13 -0.31 0.00 0.00 0.00 0.00 0.00 175.76 175.32 2gsg s ALA 24 N 1.34 3.19 0.02 0.00 0.00 -0.74 -1.16 121.76 124.41 2gsg s ALA 24 Ca 0.22 -1.43 -0.28 0.00 0.00 0.00 0.00 51.96 50.47 2gsg s ALA 24 Cb -0.15 -0.95 0.10 0.00 0.00 0.00 0.00 23.12 22.12 2gsg s ALA 24 CO 0.09 0.43 0.85 -1.54 0.00 0.00 0.00 175.76 175.59 2gsg s SER 25 N -3.11 -0.39 0.00 0.00 1.04 -0.44 -4.88 113.70 105.92 2gsg s SER 25 Ca 0.28 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2gsg s SER 25 Cb -0.09 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2gsg s SER 25 CO 0.19 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2gsg n GLY 26 N -0.27 0.78 3.69 7.32 0.00 -1.25 -0.17 105.19 115.30 2gsg n GLY 26 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 2gsg n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gsg s PHE 27 N -2.23 -0.20 -0.81 1.61 -0.12 -1.26 -4.38 117.98 110.60 2gsg s PHE 27 Ca 0.00 -0.08 -0.24 0.00 -0.05 0.00 0.00 56.93 56.57 2gsg s PHE 27 Cb 0.00 0.62 0.06 0.00 -0.63 0.00 0.00 43.02 43.07 2gsg s PHE 27 CO 0.00 -0.79 1.21 0.99 -0.05 0.00 0.00 175.22 176.58 2gsg s THR 28 N -3.30 4.09 0.19 -4.49 2.01 -1.26 -4.87 115.64 108.01 2gsg s THR 28 Ca 0.10 -0.37 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 2gsg s THR 28 Cb -0.02 -4.86 0.10 0.00 0.01 0.00 0.00 72.50 67.73 2gsg s THR 28 CO -0.00 -1.71 1.56 0.15 -0.69 0.00 0.00 174.62 173.92 2gsg h PHE 29 N 9.67 -1.33 -1.57 4.92 3.57 -1.96 -1.32 116.94 128.92 2gsg h PHE 29 Ca -0.11 0.10 0.50 0.00 3.53 0.00 0.00 57.97 61.99 2gsg h PHE 29 Cb 1.04 0.70 -0.11 0.00 2.79 0.00 0.00 35.95 40.37 2gsg h PHE 29 CO 1.12 -0.40 1.06 -0.09 -2.23 0.00 0.00 178.31 177.77 2gsg h ARG 30 N -0.08 0.02 -0.01 1.11 2.43 -1.89 -1.83 114.38 114.13 2gsg h ARG 30 Ca 0.25 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2gsg h ARG 30 Cb 0.54 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2gsg h ARG 30 CO -0.87 0.01 -0.01 -0.25 -1.51 0.00 0.00 179.97 177.34 2gsg n ASP 31 N -4.44 0.94 -4.32 -3.80 8.00 -0.50 -4.68 116.55 107.76 2gsg n ASP 31 Ca 0.41 -1.29 -0.22 0.00 0.71 0.00 0.00 54.79 54.40 2gsg n ASP 31 Cb 1.68 -0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 42.67 2gsg n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2gsg s TYR 32 N -2.02 1.80 0.24 1.24 1.51 -0.69 -4.94 117.35 114.48 2gsg s TYR 32 Ca 0.41 -0.47 -0.30 0.00 -1.01 0.00 0.00 57.07 55.71 2gsg s TYR 32 Cb 0.21 -0.91 -0.09 0.00 -0.11 0.00 0.00 41.96 41.06 2gsg s TYR 32 CO 0.35 0.31 1.03 0.71 -1.11 0.00 0.00 175.55 176.84 2gsg s TYR 33 N -1.94 3.76 0.21 2.71 2.02 -1.26 -4.10 117.35 118.76 2gsg s TYR 33 Ca 0.14 1.78 0.10 0.00 -0.37 0.00 0.00 57.07 58.73 2gsg s TYR 33 Cb -0.06 -3.15 -0.04 0.00 -0.40 0.00 0.00 41.96 38.31 2gsg s TYR 33 CO 0.06 -0.11 -0.16 -1.64 -1.57 0.00 0.00 175.55 172.14 2gsg s MET 34 N -1.10 1.81 0.17 -0.62 -1.94 -0.70 -2.77 119.30 114.15 2gsg s MET 34 Ca 0.44 -1.46 -0.02 0.00 -1.71 0.00 0.00 55.69 52.93 2gsg s MET 34 Cb -0.29 -1.98 -0.03 0.00 2.01 0.00 0.00 34.83 34.54 2gsg s MET 34 CO 0.36 0.40 0.13 0.71 -0.01 0.00 0.00 175.02 176.61 2gsg s TYR 35 N -1.88 0.91 -0.05 -0.03 2.02 -0.21 -1.86 117.35 116.24 2gsg s TYR 35 Ca 0.25 -1.22 0.02 0.00 -0.37 0.00 0.00 57.07 55.75 2gsg s TYR 35 Cb -0.08 -0.43 0.02 0.00 -0.40 0.00 0.00 41.96 41.07 2gsg s TYR 35 CO 0.14 -0.61 -0.08 -1.58 -1.57 0.00 0.00 175.55 171.84 2gsg s TRP 36 N -4.08 1.08 0.01 2.71 0.52 -0.85 -0.98 118.94 117.35 2gsg s TRP 36 Ca 0.29 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 56.09 2gsg s TRP 36 Cb 0.06 -0.84 -0.01 0.00 -1.15 0.00 0.00 33.47 31.53 2gsg s TRP 36 CO 0.06 -0.22 -0.10 0.08 0.02 0.00 0.00 176.95 176.80 2gsg s VAL 37 N 0.71 0.76 0.18 4.03 1.01 0.88 -1.09 120.40 126.88 2gsg s VAL 37 Ca -0.12 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.39 2gsg s VAL 37 Cb -0.14 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2gsg s VAL 37 CO 0.02 0.11 -0.16 0.00 0.00 0.00 0.00 175.10 175.07 2gsg s ARG 38 N -0.49 1.29 -0.11 2.72 1.70 -0.17 0.31 118.95 124.21 2gsg s ARG 38 Ca 0.02 -1.49 0.00 0.00 -0.47 0.00 0.00 55.73 53.79 2gsg s ARG 38 Cb -0.05 -1.21 0.02 0.00 -0.57 0.00 0.00 34.95 33.15 2gsg s ARG 38 CO -0.00 0.22 -0.10 -1.14 -1.08 0.00 0.00 175.30 173.20 2gsg s GLN 39 N -3.22 1.75 0.77 3.89 0.74 0.25 -0.58 119.66 123.26 2gsg s GLN 39 Ca 0.19 -0.36 -0.11 0.00 0.05 0.00 0.00 55.36 55.12 2gsg s GLN 39 Cb -0.03 -1.66 0.05 0.00 1.10 0.00 0.00 33.01 32.47 2gsg s GLN 39 CO 0.07 -0.18 1.09 0.95 -0.55 0.00 0.00 175.29 176.66 2gsg s THR 40 N 1.40 3.31 0.56 -0.34 -4.23 -0.36 -0.90 115.64 115.09 2gsg s THR 40 Ca -0.00 0.43 0.28 0.00 -1.18 0.00 0.00 61.69 61.22 2gsg s THR 40 Cb -0.13 -3.19 0.41 0.00 1.34 0.00 0.00 72.50 70.92 2gsg s THR 40 CO -0.06 -0.56 1.94 -0.65 -0.54 0.00 0.00 174.62 174.76 2gsg h PRO 41 N -0.98 0.00 0.00 3.99 0.11 -1.91 0.78 132.00 133.99 2gsg h PRO 41 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2gsg h PRO 41 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2gsg h PRO 41 CO 0.59 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 2gsg n GLU 42 N -4.05 0.75 -0.90 1.05 -0.58 -1.26 -4.84 120.64 110.82 2gsg n GLU 42 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2gsg n GLU 42 Cb 0.68 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.07 2gsg n GLU 42 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2gsg n LYS 43 N -0.99 0.00 -2.66 3.49 4.76 0.27 -5.02 118.16 118.01 2gsg n LYS 43 Ca 0.18 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.19 2gsg n LYS 43 Cb 0.08 -2.54 -0.03 0.00 -1.84 0.00 0.00 35.03 30.71 2gsg n LYS 43 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2gsg s ARG 44 N -0.10 4.45 0.21 1.97 3.52 -1.24 -4.75 118.95 123.02 2gsg s ARG 44 Ca 0.00 1.44 -0.22 0.00 -0.13 0.00 0.00 55.73 56.81 2gsg s ARG 44 Cb 0.00 -3.52 -0.08 0.00 -1.56 0.00 0.00 34.95 29.79 2gsg s ARG 44 CO 0.00 -0.25 0.76 -0.51 -0.81 0.00 0.00 175.30 174.49 2gsg s LEU 45 N 1.73 4.43 -0.13 -0.88 1.43 -1.26 -1.22 118.68 122.78 2gsg s LEU 45 Ca 0.50 1.54 -0.06 0.00 -1.03 0.00 0.00 54.13 55.09 2gsg s LEU 45 Cb -0.20 -3.52 0.06 0.00 0.03 0.00 0.00 46.19 42.56 2gsg s LEU 45 CO 0.21 0.09 0.30 -0.70 0.23 0.00 0.00 176.35 176.48 2gsg s GLU 46 N -1.68 0.22 0.25 1.70 2.12 0.25 -5.00 118.70 116.57 2gsg s GLU 46 Ca 0.41 0.71 -0.30 0.00 0.36 0.00 0.00 54.97 56.15 2gsg s GLU 46 Cb -0.19 -0.02 -0.09 0.00 0.26 0.00 0.00 34.13 34.08 2gsg s GLU 46 CO 0.23 -0.22 1.28 -0.46 -0.54 0.00 0.00 175.26 175.55 2gsg s TRP 47 N 1.86 3.24 -0.02 5.30 -0.00 -1.26 -1.00 118.94 127.06 2gsg s TRP 47 Ca -0.05 1.34 0.01 0.00 -0.00 0.00 0.00 56.10 57.41 2gsg s TRP 47 Cb -0.11 -3.58 -0.02 0.00 -0.00 0.00 0.00 33.47 29.76 2gsg s TRP 47 CO -0.10 -1.69 -0.00 0.28 -0.00 0.00 0.00 176.95 175.44 2gsg n VAL 48 N 1.90 0.13 -3.51 5.86 0.31 -0.25 -4.69 118.33 118.08 2gsg n VAL 48 Ca 0.03 -0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 64.16 2gsg n VAL 48 Cb 0.43 -0.80 -0.04 0.00 -0.91 0.00 0.00 33.84 32.51 2gsg n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gsg s ALA 49 N -2.05 -1.77 0.02 3.52 0.00 -1.05 -4.13 121.76 116.30 2gsg s ALA 49 Ca -0.02 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.10 2gsg s ALA 49 Cb 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 2gsg s ALA 49 CO 0.07 -0.49 -0.06 0.12 0.00 0.00 0.00 175.76 175.40 2gsg s PHE 50 N -2.02 0.52 -0.10 0.00 5.36 -0.46 -2.00 117.98 119.27 2gsg s PHE 50 Ca -0.04 -0.30 -0.05 0.00 -0.96 0.00 0.00 56.93 55.58 2gsg s PHE 50 Cb -0.00 -0.32 0.05 0.00 -0.34 0.00 0.00 43.02 42.40 2gsg s PHE 50 CO 0.00 -0.05 0.24 -1.50 -1.46 0.00 0.00 175.22 172.45 2gsg s ILE 51 N -0.78 -0.04 0.99 3.12 2.07 -0.78 -1.92 121.20 123.86 2gsg s ILE 51 Ca -0.05 0.14 -0.14 0.00 -1.41 0.00 0.00 60.65 59.19 2gsg s ILE 51 Cb -0.06 -0.37 0.18 0.00 0.13 0.00 0.00 42.46 42.34 2gsg s ILE 51 CO 0.00 0.06 1.16 -0.94 -1.91 0.00 0.00 174.94 173.31 2gsg s SER 52 N 1.23 2.82 0.13 4.50 1.04 -0.30 -1.73 113.70 121.39 2gsg s SER 52 Ca -0.09 0.80 -0.27 0.00 0.48 0.00 0.00 55.95 56.86 2gsg s SER 52 Cb -0.10 -1.22 -0.07 0.00 0.10 0.00 0.00 66.02 64.72 2gsg s SER 52 CO -0.08 -2.96 1.47 0.78 0.98 0.00 0.00 173.24 173.42 2gsg h ASN 53 N -1.79 -1.81 0.51 7.02 -0.26 -1.85 -1.29 115.58 116.12 2gsg h ASN 53 Ca -0.49 0.26 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 2gsg h ASN 53 Cb 1.31 0.78 0.00 0.00 -1.06 0.00 0.00 38.32 39.35 2gsg h ASN 53 CO 0.52 -0.24 -0.22 0.61 -1.06 0.00 0.00 177.43 177.03 2gsg n GLY 54 N -1.25 -1.09 1.29 2.83 0.00 -1.26 -4.89 105.19 100.82 2gsg n GLY 54 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2gsg n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsg n GLY 55 N 1.39 0.72 0.13 -0.02 0.00 -0.49 -4.94 105.19 101.98 2gsg n GLY 55 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2gsg n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsg n GLY 56 N -2.00 -1.29 2.98 -0.02 0.00 -1.26 -4.57 105.19 99.03 2gsg n GLY 56 Ca 0.00 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 2gsg n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gsg s SER 57 N -4.27 2.10 0.01 1.61 0.01 -1.26 -5.03 113.70 106.87 2gsg s SER 57 Ca 0.04 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.00 2gsg s SER 57 Cb 0.09 -0.90 -0.01 0.00 0.21 0.00 0.00 66.02 65.41 2gsg s SER 57 CO 0.40 -0.04 -0.09 0.42 0.41 0.00 0.00 173.24 174.34 2gsg s THR 58 N 1.20 0.73 0.03 1.44 -4.23 -1.26 -1.15 115.64 112.40 2gsg s THR 58 Ca -0.04 -0.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 2gsg s THR 58 Cb -0.14 -0.64 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 2gsg s THR 58 CO -0.03 0.11 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.80 2gsg s TYR 59 N -0.42 0.41 0.12 3.99 2.02 -0.81 -4.98 117.35 117.69 2gsg s TYR 59 Ca 0.02 -0.59 -0.09 0.00 -0.37 0.00 0.00 57.07 56.04 2gsg s TYR 59 Cb -0.05 -0.28 -0.00 0.00 -0.40 0.00 0.00 41.96 41.23 2gsg s TYR 59 CO -0.00 -0.18 0.23 0.71 -1.57 0.00 0.00 175.55 174.75 2gsg s TYR 60 N -1.75 0.25 0.74 2.71 2.02 -1.26 -1.36 117.35 118.70 2gsg s TYR 60 Ca -0.11 -0.65 -0.11 0.00 -0.37 0.00 0.00 57.07 55.82 2gsg s TYR 60 Cb -0.08 -0.05 0.04 0.00 -0.40 0.00 0.00 41.96 41.46 2gsg s TYR 60 CO -0.02 -0.62 1.12 -2.14 -1.57 0.00 0.00 175.55 172.32 2gsg s PRO 61 N -3.91 2.56 0.56 -1.71 0.02 -1.26 -4.84 135.00 126.43 2gsg s PRO 61 Ca 0.10 0.32 0.32 0.00 0.02 0.00 0.00 61.00 61.77 2gsg s PRO 61 Cb 0.04 -2.01 1.67 0.00 0.02 0.00 0.00 34.50 34.22 2gsg s PRO 61 CO -0.06 -1.21 2.13 -0.44 -0.33 0.00 0.00 177.00 177.09 2gsg h ASP 62 N -0.77 0.00 0.42 2.53 3.32 -1.97 -2.09 116.42 117.85 2gsg h ASP 62 Ca -0.45 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 2gsg h ASP 62 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2gsg h ASP 62 CO 0.64 0.07 -0.21 0.71 -1.72 0.00 0.00 179.24 178.73 2gsg h THR 63 N 0.00 0.81 0.00 0.35 1.35 -1.98 -3.30 112.91 110.13 2gsg h THR 63 Ca -0.00 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2gsg h THR 63 Cb 0.28 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2gsg h THR 63 CO 0.01 0.20 0.00 1.33 -0.25 0.00 0.00 175.52 176.81 2gsg n VAL 64 N -3.80 0.00 -1.66 6.82 0.24 -1.11 -4.99 118.33 113.82 2gsg n VAL 64 Ca -0.02 -0.30 -0.45 0.00 -2.04 0.00 0.00 64.34 61.53 2gsg n VAL 64 Cb 0.31 1.31 -0.03 0.00 -1.47 0.00 0.00 33.84 33.96 2gsg n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2gsg n LYS 65 N -0.14 1.91 0.00 7.34 4.81 -0.80 -0.36 118.16 130.92 2gsg n LYS 65 Ca 0.00 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 2gsg n LYS 65 Cb 0.08 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 32.82 2gsg n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gsg n GLY 66 N 2.03 2.79 0.07 3.14 0.00 -1.26 -4.74 105.19 107.21 2gsg n GLY 66 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 2gsg n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gsg n ARG 67 N -2.00 0.97 -4.07 1.61 1.74 0.51 -5.02 116.66 110.40 2gsg n ARG 67 Ca 0.00 0.05 -0.31 0.00 -0.77 0.00 0.00 57.85 56.82 2gsg n ARG 67 Cb 0.00 -1.29 -0.07 0.00 -1.02 0.00 0.00 32.46 30.08 2gsg n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2gsg s PHE 68 N -2.29 3.21 -0.07 -1.55 0.40 -0.34 -1.84 117.98 115.51 2gsg s PHE 68 Ca -0.15 0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.28 2gsg s PHE 68 Cb 0.04 -1.65 0.03 0.00 0.51 0.00 0.00 43.02 41.95 2gsg s PHE 68 CO 0.38 0.53 -0.01 0.99 0.70 0.00 0.00 175.22 177.81 2gsg s THR 69 N -1.33 0.41 -0.11 0.64 2.01 -0.33 -4.88 115.64 112.05 2gsg s THR 69 Ca 0.27 0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.24 2gsg s THR 69 Cb -0.12 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 2gsg s THR 69 CO 0.20 0.26 0.25 -0.51 -0.69 0.00 0.00 174.62 174.13 2gsg s ILE 70 N 1.81 5.32 0.23 1.82 2.07 -1.26 -0.37 121.20 130.80 2gsg s ILE 70 Ca 0.03 0.47 -0.06 0.00 -1.41 0.00 0.00 60.65 59.68 2gsg s ILE 70 Cb -0.13 -3.55 -0.02 0.00 0.13 0.00 0.00 42.46 38.89 2gsg s ILE 70 CO -0.05 0.53 0.30 -0.94 -1.91 0.00 0.00 174.94 172.87 2gsg s SER 71 N -0.49 0.11 0.04 4.50 1.04 -0.74 -5.00 113.70 113.16 2gsg s SER 71 Ca 0.17 -1.20 -0.15 0.00 0.48 0.00 0.00 55.95 55.25 2gsg s SER 71 Cb -0.13 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.50 2gsg s SER 71 CO 0.06 -1.00 0.33 0.00 0.98 0.00 0.00 173.24 173.61 2gsg s ARG 72 N -4.03 0.83 -0.39 4.02 1.70 -1.26 -0.69 118.95 119.12 2gsg s ARG 72 Ca 0.32 -0.45 0.02 0.00 -0.47 0.00 0.00 55.73 55.15 2gsg s ARG 72 Cb 0.03 0.36 0.12 0.00 -0.57 0.00 0.00 34.95 34.89 2gsg s ARG 72 CO 0.11 -0.27 0.16 0.34 -1.08 0.00 0.00 175.30 174.57 2gsg s ASP 73 N -2.00 4.08 0.52 -2.89 3.68 -0.34 -4.98 116.67 114.74 2gsg s ASP 73 Ca -0.06 -2.30 0.19 0.00 2.13 0.00 0.00 52.55 52.51 2gsg s ASP 73 Cb -0.01 -1.19 1.32 0.00 -1.45 0.00 0.00 42.92 41.59 2gsg s ASP 73 CO -0.03 -0.33 2.10 0.78 0.13 0.00 0.00 175.17 177.83 2gsg h ASN 74 N 7.26 0.00 -0.33 -0.34 -0.26 -1.94 -0.92 115.58 119.06 2gsg h ASN 74 Ca -0.06 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.52 2gsg h ASN 74 Cb 0.97 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.22 2gsg h ASN 74 CO 0.52 0.00 -0.40 0.00 -1.06 0.00 0.00 177.43 176.49 2gsg h ALA 75 N 1.91 0.61 -0.38 -0.83 0.00 -1.96 -3.00 119.26 115.62 2gsg h ALA 75 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2gsg h ALA 75 Cb 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2gsg h ALA 75 CO -0.00 0.68 0.00 1.63 0.00 0.00 0.00 179.25 181.55 2gsg n LYS 76 N -4.05 2.18 -3.96 0.00 5.02 -0.79 -4.95 118.16 111.61 2gsg n LYS 76 Ca -0.02 -1.79 -0.26 0.00 -2.02 0.00 0.00 58.31 54.22 2gsg n LYS 76 Cb 0.55 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 2gsg n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2gsg n ASN 77 N 0.98 -0.52 -4.10 4.39 5.03 -0.42 -4.84 115.26 115.79 2gsg n ASN 77 Ca 0.18 -1.00 -0.22 0.00 0.87 0.00 0.00 54.58 54.41 2gsg n ASN 77 Cb 0.47 -3.07 -0.15 0.00 -1.02 0.00 0.00 39.78 36.01 2gsg n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2gsg s THR 78 N -3.91 1.06 -0.03 3.41 2.01 -0.99 -1.79 115.64 115.39 2gsg s THR 78 Ca 0.05 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.49 2gsg s THR 78 Cb -0.03 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2gsg s THR 78 CO 0.89 0.30 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.84 2gsg s LEU 79 N -0.32 3.24 0.11 4.42 2.96 0.19 -1.20 118.68 128.08 2gsg s LEU 79 Ca 0.05 -0.07 0.06 0.00 -0.22 0.00 0.00 54.13 53.95 2gsg s LEU 79 Cb -0.05 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2gsg s LEU 79 CO -0.01 0.32 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.89 2gsg s TYR 80 N -0.94 1.33 -0.23 5.38 2.02 0.14 -0.57 117.35 124.49 2gsg s TYR 80 Ca 0.16 -0.55 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 2gsg s TYR 80 Cb -0.11 -0.71 0.08 0.00 -0.40 0.00 0.00 41.96 40.82 2gsg s TYR 80 CO 0.05 0.11 0.10 -1.17 -1.57 0.00 0.00 175.55 173.08 2gsg s LEU 81 N -2.34 0.66 -0.27 -1.29 2.96 -0.86 -1.79 118.68 115.76 2gsg s LEU 81 Ca 0.07 -0.97 -0.22 0.00 -0.22 0.00 0.00 54.13 52.79 2gsg s LEU 81 Cb -0.05 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 2gsg s LEU 81 CO 0.03 -0.38 0.73 -1.58 -1.32 0.00 0.00 176.35 173.82 2gsg s GLN 82 N 2.05 4.07 -0.20 1.98 2.00 0.50 -0.37 119.66 129.68 2gsg s GLN 82 Ca 0.05 0.64 -0.05 0.00 -2.00 0.00 0.00 55.36 53.99 2gsg s GLN 82 Cb -0.16 -3.68 -0.03 0.00 0.80 0.00 0.00 33.01 29.94 2gsg s GLN 82 CO -0.21 -0.54 0.01 -1.64 -0.50 0.00 0.00 175.29 172.42 2gsg s MET 83 N 2.74 3.67 0.35 1.67 -1.94 0.12 -1.19 119.30 124.72 2gsg s MET 83 Ca 0.30 -0.49 0.09 0.00 -1.71 0.00 0.00 55.69 53.88 2gsg s MET 83 Cb -0.15 -3.11 -0.06 0.00 2.01 0.00 0.00 34.83 33.52 2gsg s MET 83 CO 0.10 0.05 -0.08 -1.12 -0.01 0.00 0.00 175.02 173.96 2gsg s SER 84 N 0.93 3.80 -1.07 3.03 0.01 -0.76 -1.18 113.70 118.45 2gsg s SER 84 Ca 0.02 -1.18 -0.16 0.00 1.31 0.00 0.00 55.95 55.94 2gsg s SER 84 Cb -0.14 -0.38 0.02 0.00 0.21 0.00 0.00 66.02 65.73 2gsg s SER 84 CO 0.02 -0.22 0.30 0.54 0.41 0.00 0.00 173.24 174.29 2gsg n ARG 85 N -0.82 -0.62 -1.70 12.44 3.00 -1.13 -4.79 116.66 123.04 2gsg n ARG 85 Ca -0.05 -0.01 -0.43 0.00 -0.01 0.00 0.00 57.85 57.35 2gsg n ARG 85 Cb 0.63 -2.18 -0.01 0.00 0.00 0.00 0.00 32.46 30.91 2gsg n ARG 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2gsg n LEU 86 N -4.04 3.59 -4.56 0.55 4.77 -0.45 -4.58 117.00 112.28 2gsg n LEU 86 Ca -0.16 1.21 -0.26 0.00 -0.03 0.00 0.00 56.01 56.77 2gsg n LEU 86 Cb 0.49 -1.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.00 2gsg n LEU 86 CO 0.62 -0.46 -0.42 -0.54 -1.33 0.00 0.00 177.39 175.27 2gsg s LYS 87 N -1.84 2.00 0.59 3.23 1.02 -1.26 -0.96 119.74 122.53 2gsg s LYS 87 Ca 0.56 -1.37 0.29 0.00 0.02 0.00 0.00 55.97 55.47 2gsg s LYS 87 Cb -0.57 -2.09 1.64 0.00 -0.52 0.00 0.00 37.83 36.30 2gsg s LYS 87 CO 0.62 0.41 2.09 1.03 -0.92 0.00 0.00 175.35 178.58 2gsg h SER 88 N 2.71 0.00 0.75 2.83 0.87 -1.96 0.27 113.55 119.03 2gsg h SER 88 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2gsg h SER 88 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2gsg h SER 88 CO 0.55 0.00 0.00 -0.33 -0.53 0.00 0.00 176.83 176.52 2gsg h GLU 89 N 0.00 0.00 -0.00 2.24 3.07 -1.94 -2.88 114.58 115.07 2gsg h GLU 89 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2gsg h GLU 89 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2gsg h GLU 89 CO -0.00 0.00 -0.06 -0.25 -1.40 0.00 0.00 179.01 177.30 2gsg n ASP 90 N -2.50 0.20 -4.69 1.42 8.00 0.95 -4.85 116.55 115.09 2gsg n ASP 90 Ca 0.01 -0.29 -0.42 0.00 0.71 0.00 0.00 54.79 54.80 2gsg n ASP 90 Cb 0.24 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 2gsg n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2gsg s THR 91 N -2.57 2.72 0.00 -3.53 2.01 -1.09 -4.88 115.64 108.30 2gsg s THR 91 Ca 0.27 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.48 2gsg s THR 91 Cb 0.20 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.58 2gsg s THR 91 CO 0.48 -0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.41 2gsg n ALA 92 N 5.65 0.00 -2.68 7.40 0.00 -0.52 -4.47 120.51 125.90 2gsg n ALA 92 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 2gsg n ALA 92 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 2gsg n ALA 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2gsg s MET 93 N -2.00 4.27 -0.18 0.00 -2.45 -0.08 -1.10 119.30 117.76 2gsg s MET 93 Ca 0.00 0.57 -0.06 0.00 -1.25 0.00 0.00 55.69 54.95 2gsg s MET 93 Cb 0.00 -3.53 -0.03 0.00 1.25 0.00 0.00 34.83 32.52 2gsg s MET 93 CO 0.00 -0.09 0.03 0.71 1.05 0.00 0.00 175.02 176.72 2gsg s TYR 94 N 1.43 3.16 0.01 4.11 1.51 0.42 -0.58 117.35 127.40 2gsg s TYR 94 Ca 0.28 -0.11 0.07 0.00 -1.01 0.00 0.00 57.07 56.30 2gsg s TYR 94 Cb -0.16 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 2gsg s TYR 94 CO 0.11 0.02 -0.22 0.71 -1.11 0.00 0.00 175.55 175.06 2gsg s TYR 95 N 0.55 2.44 0.08 2.71 1.51 0.15 -1.09 117.35 123.70 2gsg s TYR 95 Ca 0.01 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.71 2gsg s TYR 95 Cb -0.13 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.19 2gsg s TYR 95 CO 0.02 0.11 0.27 0.00 -1.11 0.00 0.00 175.55 174.84 2gsg s ALA 97 N -1.53 0.47 -0.03 0.00 0.00 -0.15 -1.74 121.76 118.78 2gsg s ALA 97 Ca 0.36 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.44 2gsg s ALA 97 Cb -0.13 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2gsg s ALA 97 CO 0.25 -0.22 -0.25 0.50 0.00 0.00 0.00 175.76 176.05 2gsg s ARG 98 N -2.67 2.28 0.34 0.00 3.52 0.04 -1.05 118.95 121.41 2gsg s ARG 98 Ca -0.03 -0.90 -0.05 0.00 -0.13 0.00 0.00 55.73 54.62 2gsg s ARG 98 Cb -0.02 -2.11 -0.05 0.00 -1.56 0.00 0.00 34.95 31.22 2gsg s ARG 98 CO -0.04 0.51 0.62 0.20 -0.81 0.00 0.00 175.30 175.77 2gsg s GLY 99 N -0.48 1.77 -0.24 8.12 0.00 -1.11 -1.31 107.32 114.06 2gsg s GLY 99 Ca 0.06 -0.53 -0.00 0.00 0.00 0.00 0.00 44.72 44.24 2gsg s GLY 99 CO 0.01 -0.41 0.01 -1.60 0.00 0.00 0.00 173.10 171.10 2gsg s ARG 100 N -3.84 1.16 7.77 2.90 3.52 -0.98 -4.76 118.95 124.73 2gsg s ARG 100 Ca 0.45 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2gsg s ARG 100 Cb -0.10 -2.37 0.00 0.00 -1.56 0.00 0.00 34.95 30.91 2gsg s ARG 100 CO 0.33 -0.70 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 2gsg n GLY 101 N 4.80 3.74 0.62 8.12 0.00 -1.26 -1.15 105.19 120.06 2gsg n GLY 101 Ca -0.09 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2gsg n GLY 101 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gsg n TYR 102 N 12.07 0.00 -3.02 1.61 4.02 -1.26 -4.89 117.16 125.70 2gsg n TYR 102 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.49 2gsg n TYR 102 Cb 0.00 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.26 2gsg n TYR 102 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2gsg s VAL 103 N -2.04 4.61 -0.03 -0.72 1.01 -0.30 -5.01 120.40 117.91 2gsg s VAL 103 Ca 0.34 1.60 -0.04 0.00 0.00 0.00 0.00 61.98 63.88 2gsg s VAL 103 Cb 0.20 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2gsg s VAL 103 CO 0.34 0.44 0.29 -0.50 0.00 0.00 0.00 175.10 175.67 2gsg h TRP 104 N 5.08 -0.14 -3.00 5.22 4.06 -1.90 -2.59 115.95 122.67 2gsg h TRP 104 Ca -0.46 -0.00 -0.72 0.00 2.06 0.00 0.00 58.89 59.77 2gsg h TRP 104 Cb 1.21 0.05 -0.34 0.00 -1.00 0.00 0.00 29.16 29.07 2gsg h TRP 104 CO 0.65 -0.09 0.06 1.19 -3.56 0.00 0.00 178.44 176.70 2gsg n PHE 105 N -3.52 3.71 0.02 0.49 0.99 -1.26 -3.04 117.46 114.86 2gsg n PHE 105 Ca -0.02 -3.74 -0.19 0.00 -0.00 0.00 0.00 57.45 53.50 2gsg n PHE 105 Cb 0.06 -1.09 -0.10 0.00 -1.00 0.00 0.00 39.48 37.35 2gsg n PHE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2gsg h ALA 106 N 5.52 0.12 -3.80 4.37 0.00 -1.45 -3.45 119.26 120.57 2gsg h ALA 106 Ca 0.18 -0.65 -0.55 0.00 0.00 0.00 0.00 54.91 53.89 2gsg h ALA 106 Cb 0.73 0.04 -0.32 0.00 0.00 0.00 0.00 17.79 18.25 2gsg h ALA 106 CO 0.98 0.58 -0.83 0.71 0.00 0.00 0.00 179.25 180.69 2gsg s TYR 107 N -3.32 1.65 0.09 0.00 2.02 -0.95 -4.97 117.35 111.87 2gsg s TYR 107 Ca -0.11 -0.50 0.09 0.00 -0.37 0.00 0.00 57.07 56.18 2gsg s TYR 107 Cb 0.06 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.46 2gsg s TYR 107 CO 0.89 -0.19 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.90 2gsg s TRP 108 N 0.15 2.47 0.00 2.71 0.52 -1.26 -0.78 118.94 122.76 2gsg s TRP 108 Ca -0.06 -0.30 0.00 0.00 0.02 0.00 0.00 56.10 55.76 2gsg s TRP 108 Cb -0.12 -1.36 0.00 0.00 -1.15 0.00 0.00 33.47 30.84 2gsg s TRP 108 CO 0.03 0.32 0.00 0.41 0.02 0.00 0.00 176.95 177.72 2gsg n GLY 109 N 1.09 -0.62 0.13 0.98 0.00 -0.71 -4.72 105.19 101.34 2gsg n GLY 109 Ca -0.16 -1.70 0.03 0.00 0.00 0.00 0.00 46.02 44.19 2gsg n GLY 109 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2gsg h GLN 110 N 0.00 0.00 0.00 1.61 -0.00 -1.90 -3.47 115.11 111.35 2gsg h GLN 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2gsg h GLN 110 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 2gsg h GLN 110 CO 0.00 0.39 0.00 0.41 0.00 0.00 0.00 178.83 179.63 2gsg n GLY 111 N 1.26 0.86 2.82 2.39 0.00 -1.26 -5.04 105.19 106.22 2gsg n GLY 111 Ca -0.01 -1.59 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 2gsg n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2gsg s THR 112 N -2.24 0.16 -0.05 2.61 -1.32 -0.25 -4.80 115.64 109.76 2gsg s THR 112 Ca 0.00 0.09 -0.26 0.00 -1.21 0.00 0.00 61.69 60.31 2gsg s THR 112 Cb 0.00 -0.26 -0.03 0.00 -1.51 0.00 0.00 72.50 70.70 2gsg s THR 112 CO 0.00 0.14 0.80 -0.89 -2.21 0.00 0.00 174.62 172.46 2gsg s THR 113 N 0.99 4.98 -0.19 5.08 2.01 -1.26 -0.44 115.64 126.81 2gsg s THR 113 Ca -0.10 1.66 -0.03 0.00 0.31 0.00 0.00 61.69 63.53 2gsg s THR 113 Cb -0.13 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 2gsg s THR 113 CO -0.02 0.21 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.35 2gsg s VAL 114 N 0.95 3.22 -0.24 3.82 1.01 -0.25 -1.37 120.40 127.54 2gsg s VAL 114 Ca 0.42 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2gsg s VAL 114 Cb -0.19 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.80 2gsg s VAL 114 CO 0.21 0.46 -0.10 -0.89 0.00 0.00 0.00 175.10 174.79 2gsg s THR 115 N 1.10 2.55 -0.36 3.92 2.01 -0.40 -1.43 115.64 123.03 2gsg s THR 115 Ca 0.01 -1.19 -0.10 0.00 0.31 0.00 0.00 61.69 60.71 2gsg s THR 115 Cb -0.15 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.07 2gsg s THR 115 CO -0.01 0.18 0.19 -0.69 -0.69 0.00 0.00 174.62 173.60 2gsg s VAL 116 N 1.26 4.49 -0.22 3.82 1.01 -1.25 0.53 120.40 130.03 2gsg s VAL 116 Ca -0.02 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 2gsg s VAL 116 Cb -0.17 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2gsg s VAL 116 CO -0.06 -0.19 0.12 -0.55 0.00 0.00 0.00 175.10 174.42 2gsg s SER 117 N 1.54 5.91 0.00 3.32 0.15 -0.73 -4.70 113.70 119.20 2gsg s SER 117 Ca 0.02 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2gsg s SER 117 Cb -0.19 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2gsg s SER 117 CO 0.06 0.10 0.00 -1.54 1.20 0.00 0.00 173.24 173.06