#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 3.93 -0.05 1.69 1.01 -1.26 -4.10 120.40 121.62 2gsg s VAL 2 Ca 0.00 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.51 2gsg s VAL 2 Cb 0.00 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.43 2gsg s VAL 2 CO 0.00 0.19 -0.04 -1.10 0.00 0.00 0.00 175.10 174.15 2gsg s GLN 3 N 0.31 0.83 -0.10 2.72 -0.21 -0.67 -5.00 119.66 117.55 2gsg s GLN 3 Ca 0.54 -0.10 0.02 0.00 0.02 0.00 0.00 55.36 55.84 2gsg s GLN 3 Cb -0.30 -0.86 0.01 0.00 1.00 0.00 0.00 33.01 32.87 2gsg s GLN 3 CO 0.33 -0.09 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.75 2gsg s LEU 4 N 0.98 1.70 -0.22 2.90 1.43 -1.26 -1.82 118.68 122.38 2gsg s LEU 4 Ca -0.10 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2gsg s LEU 4 Cb -0.14 -1.03 0.06 0.00 0.03 0.00 0.00 46.19 45.10 2gsg s LEU 4 CO -0.00 0.02 -0.06 -1.58 0.23 0.00 0.00 176.35 174.97 2gsg s GLN 5 N 0.90 1.60 0.44 1.70 2.00 0.54 -3.51 119.66 123.34 2gsg s GLN 5 Ca -0.09 -0.88 -0.10 0.00 -2.00 0.00 0.00 55.36 52.29 2gsg s GLN 5 Cb -0.15 -2.47 -0.06 0.00 0.80 0.00 0.00 33.01 31.13 2gsg s GLN 5 CO 0.00 -0.56 0.80 -1.21 -0.50 0.00 0.00 175.29 173.83 2gsg s GLU 6 N 1.45 3.73 0.16 1.67 8.01 -1.26 0.25 118.70 132.71 2gsg s GLU 6 Ca -0.04 0.46 -0.21 0.00 0.01 0.00 0.00 54.97 55.19 2gsg s GLU 6 Cb -0.18 -2.35 0.06 0.00 -4.31 0.00 0.00 34.13 27.35 2gsg s GLU 6 CO -0.07 -0.12 0.56 -1.12 0.01 0.00 0.00 175.26 174.52 2gsg s SER 7 N -3.41 -0.48 0.00 -0.19 0.01 0.24 -4.83 113.70 105.04 2gsg s SER 7 Ca 0.51 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2gsg s SER 7 Cb -0.10 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2gsg s SER 7 CO 0.35 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.66 2gsg n GLY 8 N -0.35 1.16 3.70 3.44 0.00 -1.26 -1.05 105.19 110.82 2gsg n GLY 8 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2gsg n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gsg s GLY 9 N -2.06 1.63 0.00 -0.02 0.00 -1.26 -4.76 107.32 100.85 2gsg s GLY 9 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2gsg s GLY 9 CO 0.00 -0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.57 2gsg n GLY 10 N -1.77 -1.21 3.65 0.20 0.00 -0.58 -4.96 105.19 100.52 2gsg n GLY 10 Ca 0.13 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 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 4.12 0.41 0.99 1.43 -1.26 -1.48 118.68 122.88 2gsg s LEU 11 Ca 0.00 0.83 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 2gsg s LEU 11 Cb 0.00 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 2gsg s LEU 11 CO 0.00 -0.32 0.15 0.68 0.23 0.00 0.00 176.35 177.09 2gsg s VAL 12 N 2.15 0.51 0.21 -1.59 -7.23 0.16 -4.98 120.40 109.64 2gsg s VAL 12 Ca 0.29 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.55 2gsg s VAL 12 Cb -0.16 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2gsg s VAL 12 CO 0.10 0.00 -0.06 -1.10 -0.31 0.00 0.00 175.10 173.72 2gsg s GLN 13 N -3.67 2.14 0.45 4.82 -0.21 -1.26 -1.84 119.66 120.10 2gsg s GLN 13 Ca 0.24 -1.33 -0.24 0.00 0.02 0.00 0.00 55.36 54.05 2gsg s GLN 13 Cb 0.02 -2.15 -0.08 0.00 1.00 0.00 0.00 33.01 31.80 2gsg s GLN 13 CO 0.16 0.41 1.29 -2.14 -2.12 0.00 0.00 175.29 172.89 2gsg s PRO 14 N -3.15 3.73 0.00 2.91 0.02 -1.26 -2.26 135.00 134.98 2gsg s PRO 14 Ca 0.27 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.40 2gsg s PRO 14 Cb -0.08 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.88 2gsg s PRO 14 CO 0.17 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 2gsg n GLY 15 N 0.62 2.98 1.50 0.52 0.00 0.17 -4.86 105.19 106.12 2gsg n GLY 15 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2gsg n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsg n GLY 16 N -0.51 -1.90 3.29 -0.02 0.00 -0.96 -3.79 105.19 101.30 2gsg n GLY 16 Ca 0.00 -1.58 -0.16 0.00 0.00 0.00 0.00 46.02 44.28 2gsg n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gsg s SER 17 N -2.85 2.11 -0.17 1.61 0.01 -1.26 -1.18 113.70 111.98 2gsg s SER 17 Ca 0.30 -1.03 -0.27 0.00 1.31 0.00 0.00 55.95 56.26 2gsg s SER 17 Cb -0.02 -0.06 0.07 0.00 0.21 0.00 0.00 66.02 66.22 2gsg s SER 17 CO 0.22 -0.28 0.68 -0.22 0.41 0.00 0.00 173.24 174.06 2gsg s LEU 18 N -3.23 -0.64 -0.12 2.44 2.96 0.11 -5.00 118.68 115.20 2gsg s LEU 18 Ca 0.20 1.10 0.02 0.00 -0.22 0.00 0.00 54.13 55.23 2gsg s LEU 18 Cb 0.01 2.44 0.01 0.00 0.50 0.00 0.00 46.19 49.16 2gsg s LEU 18 CO 0.03 -0.40 -0.17 -0.75 -1.32 0.00 0.00 176.35 173.74 2gsg s LYS 19 N -0.30 2.44 0.09 1.98 2.20 -1.26 0.04 119.74 124.93 2gsg s LYS 19 Ca -0.05 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 54.93 2gsg s LYS 19 Cb -0.03 -2.04 -0.04 0.00 -1.51 0.00 0.00 37.83 34.21 2gsg s LYS 19 CO 0.05 -0.05 0.22 -0.51 -0.36 0.00 0.00 175.35 174.70 2gsg s LEU 20 N 0.93 4.32 0.17 5.43 1.43 -0.26 -4.70 118.68 126.01 2gsg s LEU 20 Ca -0.07 0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.33 2gsg s LEU 20 Cb -0.15 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 2gsg s LEU 20 CO -0.02 0.14 -0.15 -0.44 0.23 0.00 0.00 176.35 176.12 2gsg s SER 21 N -2.71 2.35 -0.14 2.29 0.01 -0.22 -1.48 113.70 113.80 2gsg s SER 21 Ca 0.35 -0.93 -0.04 0.00 1.31 0.00 0.00 55.95 56.64 2gsg s SER 21 Cb -0.12 -0.11 0.07 0.00 0.21 0.00 0.00 66.02 66.07 2gsg s SER 21 CO 0.28 -0.16 0.17 0.00 0.41 0.00 0.00 173.24 173.94 2gsg s ALA 23 N 2.28 3.50 0.15 0.00 0.00 0.14 -1.30 121.76 126.52 2gsg s ALA 23 Ca 0.04 -0.17 0.07 0.00 0.00 0.00 0.00 51.96 51.90 2gsg s ALA 23 Cb -0.14 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2gsg s ALA 23 CO -0.09 -0.42 -0.02 0.00 0.00 0.00 0.00 175.76 175.23 2gsg s ALA 24 N 1.59 3.16 0.17 0.00 0.00 -0.62 -0.34 121.76 125.73 2gsg s ALA 24 Ca 0.31 -1.31 -0.24 0.00 0.00 0.00 0.00 51.96 50.72 2gsg s ALA 24 Cb -0.16 -0.99 0.06 0.00 0.00 0.00 0.00 23.12 22.02 2gsg s ALA 24 CO 0.12 0.55 0.91 -1.54 0.00 0.00 0.00 175.76 175.80 2gsg s SER 25 N -2.69 -0.21 0.00 0.00 1.04 -0.76 -4.87 113.70 106.22 2gsg s SER 25 Ca 0.26 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2gsg s SER 25 Cb -0.10 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2gsg s SER 25 CO 0.17 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.03 2gsg n GLY 26 N -0.46 0.73 3.65 7.32 0.00 -1.26 -1.66 105.19 113.51 2gsg n GLY 26 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.66 -0.21 -0.74 1.61 -0.12 -1.26 -4.20 117.98 110.39 2gsg s PHE 27 Ca 0.00 -0.01 -0.27 0.00 -0.05 0.00 0.00 56.93 56.60 2gsg s PHE 27 Cb 0.00 0.59 0.03 0.00 -0.63 0.00 0.00 43.02 43.02 2gsg s PHE 27 CO 0.00 -0.68 1.26 0.99 -0.05 0.00 0.00 175.22 176.74 2gsg s THR 28 N -3.17 3.76 0.19 -4.49 2.01 -1.26 -4.89 115.64 107.80 2gsg s THR 28 Ca 0.09 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.26 2gsg s THR 28 Cb -0.01 -4.91 0.17 0.00 0.01 0.00 0.00 72.50 67.76 2gsg s THR 28 CO -0.03 -1.84 1.61 0.15 -0.69 0.00 0.00 174.62 173.83 2gsg h PHE 29 N 10.00 -0.60 0.00 4.92 3.57 -1.96 -1.76 116.94 131.10 2gsg h PHE 29 Ca -0.27 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2gsg h PHE 29 Cb 1.05 0.35 0.00 0.00 2.79 0.00 0.00 35.95 40.14 2gsg h PHE 29 CO 1.12 -0.32 0.00 2.89 -2.23 0.00 0.00 178.31 179.77 2gsg n ARG 30 N -5.43 0.12 -0.26 1.11 1.85 -1.26 -2.44 116.66 110.36 2gsg n ARG 30 Ca 0.05 0.58 0.08 0.00 -1.00 0.00 0.00 57.85 57.57 2gsg n ARG 30 Cb 0.34 -1.87 0.23 0.00 -1.05 0.00 0.00 32.46 30.11 2gsg n ARG 30 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2gsg n ASP 31 N -2.13 2.75 -4.07 2.89 8.00 -0.66 -4.46 116.55 118.87 2gsg n ASP 31 Ca -0.01 -1.99 -0.10 0.00 0.71 0.00 0.00 54.79 53.40 2gsg n ASP 31 Cb 0.06 -0.34 -0.11 0.00 -0.02 0.00 0.00 41.12 40.72 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 -1.33 0.58 0.30 1.24 1.51 -1.02 -4.97 117.35 113.67 2gsg s TYR 32 Ca 0.35 -0.74 -0.28 0.00 -1.01 0.00 0.00 57.07 55.38 2gsg s TYR 32 Cb 0.18 -0.37 -0.09 0.00 -0.11 0.00 0.00 41.96 41.56 2gsg s TYR 32 CO 0.24 -0.20 1.03 0.71 -1.11 0.00 0.00 175.55 176.22 2gsg s TYR 33 N -2.55 3.63 0.15 2.71 2.02 -1.26 -3.89 117.35 118.16 2gsg s TYR 33 Ca -0.02 1.76 0.10 0.00 -0.37 0.00 0.00 57.07 58.54 2gsg s TYR 33 Cb -0.02 -3.13 -0.04 0.00 -0.40 0.00 0.00 41.96 38.37 2gsg s TYR 33 CO -0.04 -0.21 -0.24 -1.64 -1.57 0.00 0.00 175.55 171.85 2gsg s MET 34 N -1.68 1.37 0.18 -0.62 -1.94 -0.81 -2.53 119.30 113.27 2gsg s MET 34 Ca 0.47 -1.37 -0.01 0.00 -1.71 0.00 0.00 55.69 53.07 2gsg s MET 34 Cb -0.27 -1.74 -0.04 0.00 2.01 0.00 0.00 34.83 34.79 2gsg s MET 34 CO 0.34 0.40 0.10 0.71 -0.01 0.00 0.00 175.02 176.56 2gsg s TYR 35 N -1.34 1.08 -0.05 -0.03 2.02 0.25 -1.46 117.35 117.82 2gsg s TYR 35 Ca 0.15 -1.32 0.02 0.00 -0.37 0.00 0.00 57.07 55.54 2gsg s TYR 35 Cb -0.09 -0.55 0.01 0.00 -0.40 0.00 0.00 41.96 40.93 2gsg s TYR 35 CO 0.07 -0.59 -0.11 -1.58 -1.57 0.00 0.00 175.55 171.78 2gsg s TRP 36 N -4.10 1.26 -0.02 2.71 0.52 -0.49 -1.54 118.94 117.28 2gsg s TRP 36 Ca 0.34 -0.42 0.03 0.00 0.02 0.00 0.00 56.10 56.06 2gsg s TRP 36 Cb 0.07 -0.94 -0.00 0.00 -1.15 0.00 0.00 33.47 31.45 2gsg s TRP 36 CO 0.09 -0.23 -0.09 0.08 0.02 0.00 0.00 176.95 176.82 2gsg s VAL 37 N 0.61 0.76 0.24 4.03 1.01 -0.10 -0.67 120.40 126.28 2gsg s VAL 37 Ca -0.12 -0.38 0.12 0.00 0.00 0.00 0.00 61.98 61.59 2gsg s VAL 37 Cb -0.14 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 2gsg s VAL 37 CO 0.03 0.23 -0.21 0.00 0.00 0.00 0.00 175.10 175.14 2gsg s ARG 38 N -0.04 1.62 -0.16 2.72 1.70 0.12 -0.26 118.95 124.65 2gsg s ARG 38 Ca 0.01 -1.64 0.00 0.00 -0.47 0.00 0.00 55.73 53.63 2gsg s ARG 38 Cb -0.06 -1.82 0.04 0.00 -0.57 0.00 0.00 34.95 32.54 2gsg s ARG 38 CO -0.00 0.37 -0.09 -1.14 -1.08 0.00 0.00 175.30 173.36 2gsg s GLN 39 N -3.11 1.78 0.89 3.89 0.74 0.23 -0.72 119.66 123.37 2gsg s GLN 39 Ca 0.26 -0.58 -0.12 0.00 0.05 0.00 0.00 55.36 54.97 2gsg s GLN 39 Cb -0.06 -2.08 0.13 0.00 1.10 0.00 0.00 33.01 32.09 2gsg s GLN 39 CO 0.13 -0.37 1.12 0.95 -0.55 0.00 0.00 175.29 176.57 2gsg s THR 40 N 1.55 2.28 0.56 -0.34 -4.23 -0.83 -0.84 115.64 113.79 2gsg s THR 40 Ca 0.02 0.09 0.26 0.00 -1.18 0.00 0.00 61.69 60.88 2gsg s THR 40 Cb -0.15 -2.81 0.37 0.00 1.34 0.00 0.00 72.50 71.26 2gsg s THR 40 CO -0.08 -0.12 2.03 -0.65 -0.54 0.00 0.00 174.62 175.25 2gsg h PRO 41 N -1.44 0.00 -0.04 3.99 0.11 -1.92 0.15 132.00 132.85 2gsg h PRO 41 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2gsg h PRO 41 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2gsg h PRO 41 CO 0.61 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 2gsg n GLU 42 N -4.10 1.16 -0.59 1.05 -0.58 -1.26 -4.88 120.64 111.44 2gsg n GLU 42 Ca 0.06 -0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 2gsg n GLU 42 Cb 0.48 -1.28 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 -0.53 0.00 -2.33 3.49 4.76 0.51 -5.04 118.16 119.03 2gsg n LYS 43 Ca 0.13 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.16 2gsg n LYS 43 Cb 0.11 -1.70 -0.03 0.00 -1.84 0.00 0.00 35.03 31.57 2gsg n LYS 43 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2gsg s ARG 44 N -0.26 4.45 0.16 1.97 0.52 -1.26 -4.77 118.95 119.76 2gsg s ARG 44 Ca 0.00 1.92 -0.15 0.00 -0.52 0.00 0.00 55.73 56.98 2gsg s ARG 44 Cb 0.00 -3.24 -0.07 0.00 0.52 0.00 0.00 34.95 32.16 2gsg s ARG 44 CO 0.00 -0.17 0.57 -0.51 0.02 0.00 0.00 175.30 175.21 2gsg s LEU 45 N 0.04 4.33 -0.13 2.53 1.43 -1.26 -1.96 118.68 123.66 2gsg s LEU 45 Ca 0.55 1.11 -0.05 0.00 -1.03 0.00 0.00 54.13 54.71 2gsg s LEU 45 Cb -0.33 -3.31 0.06 0.00 0.03 0.00 0.00 46.19 42.63 2gsg s LEU 45 CO 0.36 0.09 0.27 -0.70 0.23 0.00 0.00 176.35 176.59 2gsg s GLU 46 N -1.98 0.17 0.16 1.70 2.12 0.10 -4.99 118.70 115.98 2gsg s GLU 46 Ca 0.39 0.73 -0.30 0.00 0.36 0.00 0.00 54.97 56.14 2gsg s GLU 46 Cb -0.15 -0.03 -0.08 0.00 0.26 0.00 0.00 34.13 34.13 2gsg s GLU 46 CO 0.19 -0.26 1.23 -0.46 -0.54 0.00 0.00 175.26 175.42 2gsg s TRP 47 N 2.23 3.39 -0.10 5.30 -0.00 -1.26 -0.70 118.94 127.80 2gsg s TRP 47 Ca -0.01 1.33 0.05 0.00 -0.00 0.00 0.00 56.10 57.48 2gsg s TRP 47 Cb -0.12 -3.48 -0.10 0.00 -0.00 0.00 0.00 33.47 29.78 2gsg s TRP 47 CO -0.09 -1.42 -0.02 0.28 -0.00 0.00 0.00 176.95 175.70 2gsg n VAL 48 N 2.88 0.62 -3.55 5.86 0.31 0.15 -4.68 118.33 119.91 2gsg n VAL 48 Ca 0.06 -0.32 -0.09 0.00 -0.01 0.00 0.00 64.34 63.98 2gsg n VAL 48 Cb 0.44 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.22 -1.91 0.01 3.52 0.00 -1.00 -4.23 121.76 115.92 2gsg s ALA 49 Ca -0.09 1.39 0.01 0.00 0.00 0.00 0.00 51.96 53.27 2gsg s ALA 49 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 2gsg s ALA 49 CO 0.32 -0.48 -0.03 0.12 0.00 0.00 0.00 175.76 175.70 2gsg s PHE 50 N -1.99 0.24 -0.01 0.00 5.36 -0.68 -1.40 117.98 119.51 2gsg s PHE 50 Ca 0.02 -0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 55.77 2gsg s PHE 50 Cb -0.01 -0.16 0.01 0.00 -0.34 0.00 0.00 43.02 42.52 2gsg s PHE 50 CO -0.03 -0.06 0.02 -1.50 -1.46 0.00 0.00 175.22 172.19 2gsg s ILE 51 N -0.57 -0.01 0.91 3.12 2.07 -0.53 -1.96 121.20 124.23 2gsg s ILE 51 Ca -0.05 0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.11 2gsg s ILE 51 Cb -0.04 -0.05 0.14 0.00 0.13 0.00 0.00 42.46 42.64 2gsg s ILE 51 CO -0.00 0.02 1.14 -0.94 -1.91 0.00 0.00 174.94 173.25 2gsg s SER 52 N 0.23 3.50 0.19 4.50 1.04 -0.51 -1.93 113.70 120.72 2gsg s SER 52 Ca -0.02 0.94 -0.23 0.00 0.48 0.00 0.00 55.95 57.13 2gsg s SER 52 Cb -0.03 -1.50 0.10 0.00 0.10 0.00 0.00 66.02 64.70 2gsg s SER 52 CO -0.01 -2.55 1.49 0.59 0.98 0.00 0.00 173.24 173.74 2gsg n ASN 53 N -3.76 -0.80 -1.59 7.02 5.03 -1.25 -1.23 115.26 118.68 2gsg n ASN 53 Ca 0.07 1.70 0.09 0.00 0.87 0.00 0.00 54.58 57.31 2gsg n ASN 53 Cb 0.59 -0.31 0.36 0.00 -1.02 0.00 0.00 39.78 39.40 2gsg n ASN 53 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gsg n GLY 54 N -1.36 2.66 2.35 7.41 0.00 -1.26 -4.70 105.19 110.28 2gsg n GLY 54 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 1.16 0.59 0.24 -0.02 0.00 -0.36 -4.93 105.19 101.86 2gsg n GLY 55 Ca 0.26 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.39 2gsg n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2gsg h GLY 56 N 0.00 0.00 -5.34 -0.02 0.00 -1.92 -3.44 103.07 92.35 2gsg h GLY 56 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 2gsg h GLY 56 CO 0.00 0.00 -0.77 -0.56 0.00 0.00 0.00 176.54 175.21 2gsg s SER 57 N -6.20 0.94 0.02 0.19 0.01 -1.26 -5.01 113.70 102.39 2gsg s SER 57 Ca -0.01 -0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.11 2gsg s SER 57 Cb 0.12 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 2gsg s SER 57 CO 0.61 0.09 -0.05 0.42 0.41 0.00 0.00 173.24 174.72 2gsg s THR 58 N -0.09 0.33 0.01 1.44 -4.23 -1.26 -1.42 115.64 110.42 2gsg s THR 58 Ca 0.02 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.85 2gsg s THR 58 Cb -0.04 -0.38 -0.01 0.00 1.34 0.00 0.00 72.50 73.41 2gsg s THR 58 CO -0.00 -0.23 0.00 -0.31 -0.54 0.00 0.00 174.62 173.54 2gsg s TYR 59 N -0.88 0.20 0.07 3.99 2.02 -0.83 -4.99 117.35 116.93 2gsg s TYR 59 Ca -0.07 -0.41 -0.06 0.00 -0.37 0.00 0.00 57.07 56.16 2gsg s TYR 59 Cb -0.07 -0.15 -0.01 0.00 -0.40 0.00 0.00 41.96 41.33 2gsg s TYR 59 CO -0.00 -0.19 0.12 0.71 -1.57 0.00 0.00 175.55 174.62 2gsg s TYR 60 N -1.32 0.26 0.51 2.71 2.02 -1.26 -1.69 117.35 118.57 2gsg s TYR 60 Ca -0.14 -0.70 -0.18 0.00 -0.37 0.00 0.00 57.07 55.67 2gsg s TYR 60 Cb -0.09 -0.16 -0.08 0.00 -0.40 0.00 0.00 41.96 41.24 2gsg s TYR 60 CO -0.00 -0.47 1.01 -2.14 -1.57 0.00 0.00 175.55 172.37 2gsg s PRO 61 N -3.71 3.80 0.14 -1.71 0.02 -1.26 -4.80 135.00 127.48 2gsg s PRO 61 Ca 0.04 1.16 0.11 0.00 0.02 0.00 0.00 61.00 62.33 2gsg s PRO 61 Cb 0.05 -2.11 0.56 0.00 0.02 0.00 0.00 34.50 33.02 2gsg s PRO 61 CO -0.10 -0.41 1.33 -0.25 -0.33 0.00 0.00 177.00 177.24 2gsg n ASP 62 N -1.35 0.26 0.20 2.53 8.00 -1.26 -1.66 116.55 123.26 2gsg n ASP 62 Ca 0.08 0.62 0.08 0.00 0.71 0.00 0.00 54.79 56.27 2gsg n ASP 62 Cb 0.53 -0.65 0.35 0.00 -0.02 0.00 0.00 41.12 41.33 2gsg n ASP 62 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2gsg h THR 63 N 0.00 0.66 0.00 -3.53 2.02 -1.98 -3.34 112.91 106.74 2gsg h THR 63 Ca 0.00 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.78 2gsg h THR 63 Cb 0.03 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2gsg h THR 63 CO 0.00 0.29 0.00 1.33 0.37 0.00 0.00 175.52 177.51 2gsg n VAL 64 N -3.38 0.00 -0.35 3.16 0.24 -0.80 -4.90 118.33 112.29 2gsg n VAL 64 Ca 0.01 -0.27 0.08 0.00 -2.04 0.00 0.00 64.34 62.11 2gsg n VAL 64 Cb 0.50 1.22 0.17 0.00 -1.47 0.00 0.00 33.84 34.27 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 -0.28 -0.09 -0.21 7.34 4.81 -0.67 -0.47 118.16 128.61 2gsg n LYS 65 Ca 0.00 1.52 0.09 0.00 -0.87 0.00 0.00 58.31 59.04 2gsg n LYS 65 Cb 0.06 -2.30 0.25 0.00 0.02 0.00 0.00 35.03 33.06 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 -1.59 1.13 0.00 3.14 0.00 -1.26 -4.41 105.19 102.21 2gsg n GLY 66 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.87 3.37 -4.00 1.61 1.74 0.38 -5.04 116.66 115.60 2gsg n ARG 67 Ca 0.17 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.94 2gsg n ARG 67 Cb 0.42 -0.96 -0.06 0.00 -1.02 0.00 0.00 32.46 30.84 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 -1.92 3.33 -0.06 -1.55 0.40 -0.21 -2.12 117.98 115.86 2gsg s PHE 68 Ca 0.00 0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.48 2gsg s PHE 68 Cb 0.00 -1.69 0.03 0.00 0.51 0.00 0.00 43.02 41.87 2gsg s PHE 68 CO 0.00 0.55 0.00 0.99 0.70 0.00 0.00 175.22 177.47 2gsg s THR 69 N -1.42 0.33 -0.13 0.64 2.01 0.22 -4.83 115.64 112.46 2gsg s THR 69 Ca 0.31 0.13 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 2gsg s THR 69 Cb -0.12 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2gsg s THR 69 CO 0.24 0.24 0.18 -0.51 -0.69 0.00 0.00 174.62 174.08 2gsg s ILE 70 N 1.82 5.42 0.21 1.82 2.07 -1.26 -0.25 121.20 131.03 2gsg s ILE 70 Ca 0.02 0.30 -0.09 0.00 -1.41 0.00 0.00 60.65 59.48 2gsg s ILE 70 Cb -0.12 -3.47 -0.01 0.00 0.13 0.00 0.00 42.46 38.98 2gsg s ILE 70 CO -0.04 0.56 0.34 -0.94 -1.91 0.00 0.00 174.94 172.94 2gsg s SER 71 N -0.60 0.00 -0.01 4.50 1.04 -0.84 -5.00 113.70 112.79 2gsg s SER 71 Ca 0.15 -1.03 -0.17 0.00 0.48 0.00 0.00 55.95 55.38 2gsg s SER 71 Cb -0.12 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.52 2gsg s SER 71 CO 0.04 -1.00 0.35 0.00 0.98 0.00 0.00 173.24 173.61 2gsg s ARG 72 N -4.04 0.72 -0.38 4.02 1.70 -1.26 -0.28 118.95 119.42 2gsg s ARG 72 Ca 0.25 -0.16 0.02 0.00 -0.47 0.00 0.00 55.73 55.38 2gsg s ARG 72 Cb 0.02 0.32 0.11 0.00 -0.57 0.00 0.00 34.95 34.84 2gsg s ARG 72 CO 0.07 -0.21 0.14 0.34 -1.08 0.00 0.00 175.30 174.57 2gsg s ASP 73 N -1.36 4.22 0.50 -2.89 3.68 -0.54 -4.96 116.67 115.31 2gsg s ASP 73 Ca -0.13 -2.26 0.15 0.00 2.13 0.00 0.00 52.55 52.44 2gsg s ASP 73 Cb -0.04 -1.27 1.19 0.00 -1.45 0.00 0.00 42.92 41.35 2gsg s ASP 73 CO 0.04 -0.34 2.12 0.78 0.13 0.00 0.00 175.17 177.91 2gsg h ASN 74 N 7.35 0.05 0.43 -0.34 -0.26 -1.94 -1.11 115.58 119.77 2gsg h ASN 74 Ca -0.07 -0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.61 2gsg h ASN 74 Cb 0.97 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 38.21 2gsg h ASN 74 CO 0.53 0.06 -0.30 0.00 -1.06 0.00 0.00 177.43 176.66 2gsg h ALA 75 N 1.95 1.33 -0.02 -0.83 0.00 -1.96 -2.57 119.26 117.15 2gsg h ALA 75 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2gsg h ALA 75 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2gsg h ALA 75 CO -0.00 0.37 -0.27 1.63 0.00 0.00 0.00 179.25 180.98 2gsg n LYS 76 N -3.92 1.65 -3.68 0.00 5.02 -0.67 -4.97 118.16 111.60 2gsg n LYS 76 Ca -0.02 -1.33 -0.25 0.00 -2.02 0.00 0.00 58.31 54.69 2gsg n LYS 76 Cb 0.37 -1.44 0.06 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.50 -4.93 -4.12 4.39 4.13 -0.51 -4.83 115.26 109.91 2gsg n ASN 77 Ca 0.11 -0.64 -0.22 0.00 1.68 0.00 0.00 54.58 55.50 2gsg n ASN 77 Cb 0.50 -4.64 -0.15 0.00 -1.54 0.00 0.00 39.78 33.95 2gsg n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2gsg s THR 78 N -3.35 1.13 0.01 3.41 2.01 -0.97 -1.58 115.64 116.30 2gsg s THR 78 Ca 0.48 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.86 2gsg s THR 78 Cb -0.22 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2gsg s THR 78 CO 0.77 0.30 0.00 -0.22 -0.69 0.00 0.00 174.62 174.78 2gsg s LEU 79 N -0.39 3.51 0.12 4.42 2.96 -0.42 -1.47 118.68 127.41 2gsg s LEU 79 Ca 0.05 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 2gsg s LEU 79 Cb -0.06 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2gsg s LEU 79 CO -0.00 0.27 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.88 2gsg s TYR 80 N -1.11 1.21 -0.21 5.38 2.02 0.61 -0.72 117.35 124.52 2gsg s TYR 80 Ca 0.20 -0.67 -0.04 0.00 -0.37 0.00 0.00 57.07 56.18 2gsg s TYR 80 Cb -0.12 -0.64 0.07 0.00 -0.40 0.00 0.00 41.96 40.88 2gsg s TYR 80 CO 0.11 0.06 0.10 -1.17 -1.57 0.00 0.00 175.55 173.08 2gsg s LEU 81 N -2.73 0.50 -0.21 -1.29 2.96 -0.55 -1.99 118.68 115.37 2gsg s LEU 81 Ca 0.11 -0.87 -0.21 0.00 -0.22 0.00 0.00 54.13 52.93 2gsg s LEU 81 Cb -0.01 -0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.35 2gsg s LEU 81 CO 0.01 -0.38 0.67 -1.58 -1.32 0.00 0.00 176.35 173.75 2gsg s GLN 82 N 2.10 4.20 -0.17 1.98 2.00 0.65 -1.10 119.66 129.32 2gsg s GLN 82 Ca 0.04 0.67 -0.02 0.00 -2.00 0.00 0.00 55.36 54.05 2gsg s GLN 82 Cb -0.16 -3.60 -0.01 0.00 0.80 0.00 0.00 33.01 30.04 2gsg s GLN 82 CO -0.19 -0.31 -0.08 -1.64 -0.50 0.00 0.00 175.29 172.57 2gsg s MET 83 N 2.14 3.43 0.23 1.67 -1.94 0.11 -0.61 119.30 124.33 2gsg s MET 83 Ca 0.30 -0.63 0.07 0.00 -1.71 0.00 0.00 55.69 53.71 2gsg s MET 83 Cb -0.16 -2.82 -0.05 0.00 2.01 0.00 0.00 34.83 33.81 2gsg s MET 83 CO 0.10 0.06 -0.11 -1.54 -0.01 0.00 0.00 175.02 173.53 2gsg s SER 84 N 0.77 2.55 -1.40 3.03 1.04 -0.90 -0.71 113.70 118.08 2gsg s SER 84 Ca -0.03 -1.09 -0.02 0.00 0.48 0.00 0.00 55.95 55.29 2gsg s SER 84 Cb -0.15 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2gsg s SER 84 CO 0.02 -0.25 0.40 0.54 0.98 0.00 0.00 173.24 174.92 2gsg n ARG 85 N -0.44 -2.87 -1.56 4.02 1.74 -0.81 -4.80 116.66 111.94 2gsg n ARG 85 Ca -0.07 0.37 -0.47 0.00 -0.77 0.00 0.00 57.85 56.91 2gsg n ARG 85 Cb 0.62 -4.36 -0.03 0.00 -1.02 0.00 0.00 32.46 27.66 2gsg n ARG 85 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2gsg n LEU 86 N -4.42 1.24 -4.50 0.55 4.77 -0.32 -4.46 117.00 109.87 2gsg n LEU 86 Ca -0.30 1.15 -0.26 0.00 -0.03 0.00 0.00 56.01 56.58 2gsg n LEU 86 Cb 0.68 -1.20 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 2gsg n LEU 86 CO 0.76 -1.56 -0.47 -0.54 -1.33 0.00 0.00 177.39 174.25 2gsg s LYS 87 N -0.88 1.78 0.41 3.23 1.02 -1.26 0.42 119.74 124.46 2gsg s LYS 87 Ca 0.67 -1.53 0.10 0.00 0.02 0.00 0.00 55.97 55.23 2gsg s LYS 87 Cb -0.82 -1.93 0.92 0.00 -0.52 0.00 0.00 37.83 35.49 2gsg s LYS 87 CO 0.56 0.38 1.99 0.77 -0.92 0.00 0.00 175.35 178.13 2gsg h SER 88 N 2.70 0.47 0.21 2.83 0.02 -1.95 0.19 113.55 118.01 2gsg h SER 88 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2gsg h SER 88 Cb 1.23 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2gsg h SER 88 CO 0.54 0.30 0.00 -0.62 -1.14 0.00 0.00 176.83 175.91 2gsg n GLU 89 N -4.48 0.00 0.00 3.45 4.71 -1.26 -1.67 120.64 121.39 2gsg n GLU 89 Ca 0.09 0.40 0.14 0.00 -0.01 0.00 0.00 57.16 57.77 2gsg n GLU 89 Cb 0.27 -1.50 0.60 0.00 -1.01 0.00 0.00 31.44 29.80 2gsg n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2gsg n ASP 90 N -1.50 0.52 -4.67 1.62 8.00 0.65 -4.85 116.55 116.32 2gsg n ASP 90 Ca 0.01 -0.62 -0.42 0.00 0.71 0.00 0.00 54.79 54.47 2gsg n ASP 90 Cb 0.07 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.45 3.23 0.00 -3.53 2.01 -0.67 -4.84 115.64 109.38 2gsg s THR 91 Ca 0.29 0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.69 2gsg s THR 91 Cb 0.20 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2gsg s THR 91 CO 0.47 -0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.37 2gsg n ALA 92 N 6.90 0.00 -2.66 7.40 0.00 -0.57 -4.32 120.51 127.26 2gsg n ALA 92 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 2gsg n ALA 92 Cb 0.41 0.00 -0.08 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 4.13 -0.21 0.00 -2.45 -0.02 -0.68 119.30 118.07 2gsg s MET 93 Ca 0.00 0.07 -0.09 0.00 -1.25 0.00 0.00 55.69 54.42 2gsg s MET 93 Cb 0.00 -3.55 -0.04 0.00 1.25 0.00 0.00 34.83 32.49 2gsg s MET 93 CO 0.00 -0.03 0.10 0.71 1.05 0.00 0.00 175.02 176.85 2gsg s TYR 94 N 1.31 3.25 0.03 4.11 1.51 0.92 -0.60 117.35 127.88 2gsg s TYR 94 Ca 0.16 0.06 0.07 0.00 -1.01 0.00 0.00 57.07 56.35 2gsg s TYR 94 Cb -0.14 -2.17 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 2gsg s TYR 94 CO 0.07 0.06 -0.18 0.71 -1.11 0.00 0.00 175.55 175.10 2gsg s TYR 95 N 0.77 2.55 0.01 2.71 1.51 0.64 -1.27 117.35 124.26 2gsg s TYR 95 Ca 0.05 -0.26 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 2gsg s TYR 95 Cb -0.13 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 2gsg s TYR 95 CO 0.02 0.23 0.16 0.00 -1.11 0.00 0.00 175.55 174.86 2gsg s ALA 97 N -1.33 0.63 -0.02 0.00 0.00 -0.59 -1.11 121.76 119.34 2gsg s ALA 97 Ca 0.28 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.53 2gsg s ALA 97 Cb -0.13 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2gsg s ALA 97 CO 0.19 0.01 -0.18 0.50 0.00 0.00 0.00 175.76 176.28 2gsg s ARG 98 N -1.52 2.29 0.66 0.00 3.52 0.51 -0.58 118.95 123.83 2gsg s ARG 98 Ca -0.09 -0.83 -0.01 0.00 -0.13 0.00 0.00 55.73 54.68 2gsg s ARG 98 Cb -0.10 -2.24 0.09 0.00 -1.56 0.00 0.00 34.95 31.14 2gsg s ARG 98 CO 0.01 0.59 0.93 0.20 -0.81 0.00 0.00 175.30 176.21 2gsg s GLY 99 N -0.87 1.78 -0.26 8.12 0.00 -1.05 -1.56 107.32 113.48 2gsg s GLY 99 Ca 0.12 -1.49 -0.02 0.00 0.00 0.00 0.00 44.72 43.33 2gsg s GLY 99 CO 0.01 -1.03 0.42 -1.60 0.00 0.00 0.00 173.10 170.90 2gsg s ARG 100 N -5.04 0.40 7.82 2.90 3.52 -0.77 -4.80 118.95 122.99 2gsg s ARG 100 Ca 0.63 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 2gsg s ARG 100 Cb -0.08 -0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.04 2gsg s ARG 100 CO 0.42 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.61 2gsg n GLY 101 N 5.37 3.47 0.13 8.12 0.00 -1.26 -1.52 105.19 119.51 2gsg n GLY 101 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 13.76 0.00 -2.81 1.61 4.02 -1.26 -4.81 117.16 127.67 2gsg n TYR 102 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 2gsg n TYR 102 Cb 0.00 -0.20 -0.03 0.00 -0.02 0.00 0.00 39.34 39.09 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 -2.61 4.79 0.01 -0.72 1.01 -0.58 -4.98 120.40 117.32 2gsg s VAL 103 Ca 0.23 1.73 -0.11 0.00 0.00 0.00 0.00 61.98 63.83 2gsg s VAL 103 Cb 0.19 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 2gsg s VAL 103 CO 0.53 -0.10 1.02 -0.50 0.00 0.00 0.00 175.10 176.05 2gsg h TRP 104 N 7.57 -0.36 -2.91 5.22 4.06 -1.87 -2.05 115.95 125.62 2gsg h TRP 104 Ca -0.22 -0.01 -0.76 0.00 2.06 0.00 0.00 58.89 59.96 2gsg h TRP 104 Cb 1.09 0.12 -0.31 0.00 -1.00 0.00 0.00 29.16 29.05 2gsg h TRP 104 CO 0.75 -0.22 0.44 1.19 -3.56 0.00 0.00 178.44 177.03 2gsg n PHE 105 N -3.17 3.04 0.11 0.49 0.99 -1.26 -3.01 117.46 114.65 2gsg n PHE 105 Ca -0.05 -3.15 -0.03 0.00 -0.00 0.00 0.00 57.45 54.23 2gsg n PHE 105 Cb 0.15 -1.18 0.05 0.00 -1.00 0.00 0.00 39.48 37.50 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 5.42 0.68 -3.52 4.37 0.00 -1.47 -3.45 119.26 121.29 2gsg h ALA 106 Ca 0.19 -0.68 -0.35 0.00 0.00 0.00 0.00 54.91 54.07 2gsg h ALA 106 Cb 0.67 -0.12 -0.33 0.00 0.00 0.00 0.00 17.79 18.01 2gsg h ALA 106 CO 1.17 0.93 -0.75 0.71 0.00 0.00 0.00 179.25 181.31 2gsg s TYR 107 N -3.16 0.41 0.24 0.00 2.02 -0.78 -4.98 117.35 111.10 2gsg s TYR 107 Ca 0.00 -0.05 0.10 0.00 -0.37 0.00 0.00 57.07 56.76 2gsg s TYR 107 Cb 0.11 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 41.18 2gsg s TYR 107 CO 0.78 -0.13 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.95 2gsg s TRP 108 N 0.88 2.53 0.00 2.71 0.52 -1.26 -0.36 118.94 123.96 2gsg s TRP 108 Ca -0.10 -0.26 0.00 0.00 0.02 0.00 0.00 56.10 55.76 2gsg s TRP 108 Cb -0.13 -1.16 0.00 0.00 -1.15 0.00 0.00 33.47 31.04 2gsg s TRP 108 CO -0.01 0.61 0.00 0.41 0.02 0.00 0.00 176.95 177.98 2gsg n GLY 109 N -0.49 0.40 0.10 0.98 0.00 -0.26 -4.61 105.19 101.31 2gsg n GLY 109 Ca -0.08 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.22 2gsg n GLY 109 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gsg n GLN 110 N -0.29 0.60 0.00 1.61 1.13 -1.23 -4.89 117.38 114.31 2gsg n GLN 110 Ca 0.00 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 2gsg n GLN 110 Cb 0.00 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 28.55 2gsg n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gsg n GLY 111 N 1.19 -0.41 3.02 1.08 0.00 -1.26 -5.03 105.19 103.78 2gsg n GLY 111 Ca -0.00 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.93 0.89 -0.13 2.61 -1.32 -0.40 -4.84 115.64 110.53 2gsg s THR 112 Ca 0.00 -0.41 -0.20 0.00 -1.21 0.00 0.00 61.69 59.87 2gsg s THR 112 Cb 0.00 -0.80 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 2gsg s THR 112 CO 0.00 0.28 0.56 -0.89 -2.21 0.00 0.00 174.62 172.36 2gsg s THR 113 N 0.25 5.12 -0.25 5.08 2.01 -1.26 -0.06 115.64 126.53 2gsg s THR 113 Ca -0.05 1.11 -0.05 0.00 0.31 0.00 0.00 61.69 63.01 2gsg s THR 113 Cb -0.10 -3.89 -0.00 0.00 0.01 0.00 0.00 72.50 68.52 2gsg s THR 113 CO 0.01 0.26 0.01 -0.69 -0.69 0.00 0.00 174.62 173.52 2gsg s VAL 114 N 0.97 3.65 -0.27 3.82 1.01 0.14 -1.53 120.40 128.19 2gsg s VAL 114 Ca 0.29 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2gsg s VAL 114 Cb -0.16 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2gsg s VAL 114 CO 0.12 0.27 0.00 -0.89 0.00 0.00 0.00 175.10 174.60 2gsg s THR 115 N 1.49 3.37 -0.29 3.92 2.01 -0.55 -1.52 115.64 124.07 2gsg s THR 115 Ca 0.04 -0.87 -0.10 0.00 0.31 0.00 0.00 61.69 61.07 2gsg s THR 115 Cb -0.16 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2gsg s THR 115 CO -0.01 0.14 0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 2gsg s VAL 116 N 1.40 4.93 -0.16 3.82 1.01 -1.26 -0.66 120.40 129.48 2gsg s VAL 116 Ca 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 2gsg s VAL 116 Cb -0.17 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2gsg s VAL 116 CO -0.01 0.17 -0.07 -0.55 0.00 0.00 0.00 175.10 174.64 2gsg s SER 117 N 1.69 4.46 0.00 3.32 0.15 -0.77 -4.75 113.70 117.81 2gsg s SER 117 Ca 0.06 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2gsg s SER 117 Cb -0.16 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 2gsg s SER 117 CO 0.08 0.13 0.00 -0.24 1.20 0.00 0.00 173.24 174.42