#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p45 s VAL 2 N 0.00 2.70 0.61 1.69 1.01 -1.26 -4.75 120.40 120.40 2p45 s VAL 2 Ca 0.00 0.56 0.05 0.00 0.00 0.00 0.00 61.98 62.60 2p45 s VAL 2 Cb 0.00 -3.36 0.11 0.00 0.00 0.00 0.00 36.38 33.13 2p45 s VAL 2 CO 0.00 0.08 0.84 0.00 0.00 0.00 0.00 175.10 176.01 2p45 n GLN 3 N 2.74 0.34 0.00 2.72 1.13 0.14 -4.96 117.38 119.49 2p45 n GLN 3 Ca 0.08 -2.80 0.00 0.00 -1.94 0.00 0.00 57.00 52.35 2p45 n GLN 3 Cb 0.40 -0.39 0.00 0.00 0.11 0.00 0.00 30.24 30.36 2p45 n GLN 3 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2p45 n VAL 5 N -2.44 0.00 -3.77 5.09 0.24 -0.30 -1.16 118.33 115.99 2p45 n VAL 5 Ca 0.16 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.33 2p45 n VAL 5 Cb 0.56 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.83 2p45 n VAL 5 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2p45 s GLU 6 N -0.91 0.43 0.25 7.34 -1.05 -1.26 -1.14 118.70 122.37 2p45 s GLU 6 Ca 0.00 0.26 -0.21 0.00 -0.15 0.00 0.00 54.97 54.86 2p45 s GLU 6 Cb 0.00 0.20 0.03 0.00 -0.44 0.00 0.00 34.13 33.92 2p45 s GLU 6 CO 0.00 -0.07 0.69 -1.54 0.95 0.00 0.00 175.26 175.28 2p45 s SER 7 N -0.22 -0.32 0.00 0.83 1.04 -0.25 -4.72 113.70 110.07 2p45 s SER 7 Ca -0.04 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2p45 s SER 7 Cb -0.03 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2p45 s SER 7 CO 0.01 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.58 2p45 n GLY 8 N -0.44 0.87 0.00 7.32 0.00 -1.26 -1.17 105.19 110.51 2p45 n GLY 8 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2p45 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p45 n GLY 9 N 0.00 0.13 2.75 -0.02 0.00 -1.26 -4.78 105.19 102.00 2p45 n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2p45 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p45 n GLY 10 N 2.53 -2.25 3.65 -0.02 0.00 0.11 -4.79 105.19 104.42 2p45 n GLY 10 Ca 0.00 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 2p45 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p45 s LEU 11 N 0.00 4.12 0.30 0.99 1.43 -1.26 -1.37 118.68 122.89 2p45 s LEU 11 Ca 0.00 1.10 0.03 0.00 -1.03 0.00 0.00 54.13 54.23 2p45 s LEU 11 Cb 0.00 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 2p45 s LEU 11 CO 0.00 -0.48 0.13 0.68 0.23 0.00 0.00 176.35 176.91 2p45 s VAL 12 N 2.58 0.47 -0.03 -1.59 -7.23 0.02 -4.97 120.40 109.65 2p45 s VAL 12 Ca 0.37 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 2p45 s VAL 12 Cb -0.16 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 2p45 s VAL 12 CO 0.09 0.00 -0.03 -1.10 -0.31 0.00 0.00 175.10 173.76 2p45 s GLN 13 N -3.89 2.77 0.32 4.82 -1.52 -1.26 -0.68 119.66 120.22 2p45 s GLN 13 Ca 0.36 -0.58 -0.28 0.00 -1.95 0.00 0.00 55.36 52.91 2p45 s GLN 13 Cb 0.06 -2.65 -0.13 0.00 -0.22 0.00 0.00 33.01 30.07 2p45 s GLN 13 CO 0.16 0.64 1.24 0.00 -0.25 0.00 0.00 175.29 177.08 2p45 n ALA 14 N 1.75 0.95 0.00 6.09 0.00 0.02 -2.04 120.51 127.27 2p45 n ALA 14 Ca -0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2p45 n ALA 14 Cb 0.53 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2p45 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p45 n GLY 15 N 1.00 2.10 3.89 0.00 0.00 0.01 -4.89 105.19 107.30 2p45 n GLY 15 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2p45 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2p45 s GLY 16 N -2.13 1.62 0.15 -0.02 0.00 -0.87 -4.38 107.32 101.69 2p45 s GLY 16 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 44.72 44.29 2p45 s GLY 16 CO 0.00 -0.03 0.35 -0.45 0.00 0.00 0.00 173.10 172.97 2p45 s SER 17 N -4.37 6.43 -0.12 1.64 0.15 -1.26 -0.82 113.70 115.35 2p45 s SER 17 Ca 0.58 0.47 -0.11 0.00 0.70 0.00 0.00 55.95 57.59 2p45 s SER 17 Cb -0.11 -2.04 0.03 0.00 -1.71 0.00 0.00 66.02 62.19 2p45 s SER 17 CO 0.51 0.04 0.32 -0.22 1.20 0.00 0.00 173.24 175.09 2p45 s LEU 18 N -2.85 0.77 -0.14 3.45 2.96 -1.26 -5.00 118.68 116.61 2p45 s LEU 18 Ca 0.39 0.65 0.02 0.00 -0.22 0.00 0.00 54.13 54.97 2p45 s LEU 18 Cb -0.12 1.10 0.01 0.00 0.50 0.00 0.00 46.19 47.68 2p45 s LEU 18 CO 0.27 -0.11 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.37 2p45 s ARG 19 N 0.16 3.06 -0.10 1.98 3.52 -1.26 -4.41 118.95 121.90 2p45 s ARG 19 Ca -0.00 -0.84 -0.05 0.00 -0.13 0.00 0.00 55.73 54.71 2p45 s ARG 19 Cb -0.02 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 2p45 s ARG 19 CO 0.00 0.01 0.09 -0.51 -0.81 0.00 0.00 175.30 174.09 2p45 s LEU 20 N 0.77 4.10 0.03 -0.88 1.43 0.18 -4.60 118.68 119.71 2p45 s LEU 20 Ca -0.08 0.34 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 2p45 s LEU 20 Cb -0.16 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2p45 s LEU 20 CO -0.01 0.38 -0.22 -0.44 0.23 0.00 0.00 176.35 176.30 2p45 s SER 21 N -1.07 2.60 0.01 2.29 0.01 -0.32 -1.12 113.70 116.10 2p45 s SER 21 Ca 0.16 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2p45 s SER 21 Cb -0.12 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 2p45 s SER 21 CO 0.05 0.19 -0.02 0.00 0.41 0.00 0.00 173.24 173.87 2p45 s ALA 23 N -0.74 -0.55 -0.09 0.00 0.00 -0.29 -1.95 121.76 118.14 2p45 s ALA 23 Ca -0.08 0.51 -0.07 0.00 0.00 0.00 0.00 51.96 52.32 2p45 s ALA 23 Cb -0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 2p45 s ALA 23 CO -0.00 -0.13 0.17 0.00 0.00 0.00 0.00 175.76 175.79 2p45 s ALA 24 N -0.21 3.87 0.17 0.00 0.00 -0.24 -1.16 121.76 124.20 2p45 s ALA 24 Ca -0.03 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2p45 s ALA 24 Cb -0.03 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 2p45 s ALA 24 CO 0.01 0.63 0.00 -1.54 0.00 0.00 0.00 175.76 174.85 2p45 s SER 25 N -1.17 1.21 0.00 0.00 1.04 -0.31 -4.77 113.70 109.71 2p45 s SER 25 Ca 0.18 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.44 2p45 s SER 25 Cb -0.12 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2p45 s SER 25 CO 0.07 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2p45 n GLY 26 N -0.24 0.51 3.17 7.32 0.00 -1.26 -0.68 105.19 114.01 2p45 n GLY 26 Ca -0.07 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 2p45 n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p45 s TYR 27 N -2.00 2.49 -2.17 1.61 5.04 -1.26 -4.34 117.35 116.73 2p45 s TYR 27 Ca 0.00 -1.15 0.17 0.00 -2.44 0.00 0.00 57.07 53.65 2p45 s TYR 27 Cb 0.00 -1.70 0.54 0.00 0.35 0.00 0.00 41.96 41.15 2p45 s TYR 27 CO 0.00 -0.51 1.42 0.00 -1.34 0.00 0.00 175.55 175.12 2p45 n ALA 28 N 3.87 2.47 -3.29 3.97 0.00 -1.26 -4.88 120.51 121.39 2p45 n ALA 28 Ca -0.20 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2p45 n ALA 28 Cb 0.52 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2p45 n ALA 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2p45 n TYR 29 N 0.65 0.00 -4.64 0.00 4.01 -1.26 -5.15 117.16 110.76 2p45 n TYR 29 Ca 0.16 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.56 2p45 n TYR 29 Cb 0.37 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.26 2p45 n TYR 29 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2p45 s THR 30 N -1.41 3.00 -0.15 -0.72 2.01 -1.26 -4.92 115.64 112.19 2p45 s THR 30 Ca 0.00 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 2p45 s THR 30 Cb 0.00 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 2p45 s THR 30 CO 0.00 0.51 1.24 -0.31 -0.69 0.00 0.00 174.62 175.37 2p45 s TYR 31 N 0.55 2.92 0.06 4.92 2.02 -1.26 -4.92 117.35 121.64 2p45 s TYR 31 Ca -0.08 1.06 -0.25 0.00 -0.37 0.00 0.00 57.07 57.43 2p45 s TYR 31 Cb -0.16 -3.48 -0.17 0.00 -0.40 0.00 0.00 41.96 37.76 2p45 s TYR 31 CO 0.04 -1.58 1.59 0.82 -1.57 0.00 0.00 175.55 174.85 2p45 h ILE 32 N 5.42 0.92 -0.52 2.71 2.04 -1.92 -3.41 117.51 122.74 2p45 h ILE 32 Ca -0.27 -0.24 -0.59 0.00 1.00 0.00 0.00 64.86 64.76 2p45 h ILE 32 Cb 1.11 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 2p45 h ILE 32 CO 0.96 0.06 -0.31 -0.31 0.00 0.00 0.00 178.15 178.55 2p45 s TYR 33 N -5.71 1.60 -4.41 1.37 2.02 -1.26 -0.20 117.35 110.75 2p45 s TYR 33 Ca -0.14 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 2p45 s TYR 33 Cb 0.04 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 2p45 s TYR 33 CO 0.64 -0.47 0.00 0.41 -1.57 0.00 0.00 175.55 174.56 2p45 n GLY 35 N -1.76 -2.60 3.23 0.71 0.00 -0.40 -1.21 105.19 103.16 2p45 n GLY 35 Ca -0.02 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 2p45 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2p45 s TRP 36 N -2.10 2.25 0.24 1.61 0.52 0.39 -1.07 118.94 120.78 2p45 s TRP 36 Ca 0.00 -0.68 0.07 0.00 0.02 0.00 0.00 56.10 55.51 2p45 s TRP 36 Cb 0.00 -1.49 -0.05 0.00 -1.15 0.00 0.00 33.47 30.78 2p45 s TRP 36 CO 0.00 -0.22 -0.11 -0.06 0.02 0.00 0.00 176.95 176.58 2p45 s PHE 37 N -0.08 1.83 0.06 -1.98 0.40 -0.22 -0.62 117.98 117.38 2p45 s PHE 37 Ca -0.05 -0.62 -0.08 0.00 -0.60 0.00 0.00 56.93 55.59 2p45 s PHE 37 Cb -0.13 -0.93 -0.00 0.00 0.51 0.00 0.00 43.02 42.46 2p45 s PHE 37 CO 0.04 0.34 0.17 -0.98 0.70 0.00 0.00 175.22 175.49 2p45 s ARG 38 N -3.67 0.75 -0.09 0.44 1.70 0.13 -0.44 118.95 117.76 2p45 s ARG 38 Ca 0.26 -0.82 -0.03 0.00 -0.47 0.00 0.00 55.73 54.67 2p45 s ARG 38 Cb 0.01 0.30 0.04 0.00 -0.57 0.00 0.00 34.95 34.73 2p45 s ARG 38 CO 0.09 -0.22 0.06 -1.14 -1.08 0.00 0.00 175.30 173.01 2p45 s GLN 39 N -3.23 0.11 0.48 3.89 0.74 -0.25 -0.53 119.66 120.87 2p45 s GLN 39 Ca 0.00 0.16 -0.12 0.00 0.05 0.00 0.00 55.36 55.45 2p45 s GLN 39 Cb 0.02 -1.05 -0.06 0.00 1.10 0.00 0.00 33.01 33.02 2p45 s GLN 39 CO -0.08 -0.44 0.88 0.00 -0.55 0.00 0.00 175.29 175.10 2p45 s ALA 40 N 2.11 3.23 -0.02 1.58 0.00 -1.26 -1.48 121.76 125.91 2p45 s ALA 40 Ca 0.04 -0.10 -0.37 0.00 0.00 0.00 0.00 51.96 51.53 2p45 s ALA 40 Cb -0.13 -2.88 -0.15 0.00 0.00 0.00 0.00 23.12 19.95 2p45 s ALA 40 CO -0.05 -0.23 1.57 -2.30 0.00 0.00 0.00 175.76 174.75 2p45 n PRO 41 N -1.72 1.47 -0.94 0.00 -0.02 -1.26 -1.52 135.00 131.00 2p45 n PRO 41 Ca 0.04 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2p45 n PRO 41 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2p45 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p45 n GLY 42 N 3.39 0.52 3.68 -1.23 0.00 -1.26 -5.00 105.19 105.30 2p45 n GLY 42 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 2p45 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p45 s LYS 43 N -0.43 2.13 0.34 1.61 1.02 -0.58 -5.11 119.74 118.71 2p45 s LYS 43 Ca 0.00 -1.89 -0.27 0.00 0.02 0.00 0.00 55.97 53.83 2p45 s LYS 43 Cb 0.00 -1.88 -0.09 0.00 -0.52 0.00 0.00 37.83 35.34 2p45 s LYS 43 CO 0.00 -0.04 1.07 -2.00 -0.92 0.00 0.00 175.35 173.46 2p45 s GLU 44 N -3.81 4.42 0.29 1.68 2.12 -1.26 -4.64 118.70 117.48 2p45 s GLU 44 Ca 0.38 1.66 -0.30 0.00 0.36 0.00 0.00 54.97 57.07 2p45 s GLU 44 Cb 0.05 -2.88 -0.12 0.00 0.26 0.00 0.00 34.13 31.44 2p45 s GLU 44 CO 0.21 0.05 1.62 -2.13 -0.54 0.00 0.00 175.26 174.46 2p45 n ARG 45 N 0.60 2.73 -4.28 4.30 0.63 -1.26 -4.61 116.66 114.77 2p45 n ARG 45 Ca 0.02 0.97 -0.20 0.00 -0.92 0.00 0.00 57.85 57.72 2p45 n ARG 45 Cb 0.47 -2.77 -0.13 0.00 0.45 0.00 0.00 32.46 30.49 2p45 n ARG 45 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2p45 s GLU 46 N -0.33 0.90 0.36 -0.14 -1.05 0.31 -4.94 118.70 113.80 2p45 s GLU 46 Ca 0.65 -0.86 -0.27 0.00 -0.15 0.00 0.00 54.97 54.34 2p45 s GLU 46 Cb -0.49 -0.92 -0.09 0.00 -0.44 0.00 0.00 34.13 32.18 2p45 s GLU 46 CO 0.47 0.22 1.23 0.20 0.95 0.00 0.00 175.26 178.32 2p45 s GLY 47 N -1.43 2.96 -0.07 -3.83 0.00 -1.26 -0.70 107.32 102.99 2p45 s GLY 47 Ca 0.00 1.11 -0.07 0.00 0.00 0.00 0.00 44.72 45.76 2p45 s GLY 47 CO 0.02 1.70 -0.16 -0.62 0.00 0.00 0.00 173.10 174.03 2p45 n VAL 48 N 0.53 1.08 -3.53 1.40 0.31 0.21 -4.45 118.33 113.87 2p45 n VAL 48 Ca 0.02 0.09 -0.17 0.00 -0.01 0.00 0.00 64.34 64.26 2p45 n VAL 48 Cb 0.44 -1.82 -0.06 0.00 -0.91 0.00 0.00 33.84 31.49 2p45 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2p45 s ALA 49 N -2.34 -1.78 0.32 3.52 0.00 -1.02 -1.32 121.76 119.15 2p45 s ALA 49 Ca -0.15 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 53.18 2p45 s ALA 49 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2p45 s ALA 49 CO 0.21 -0.36 0.43 0.00 0.00 0.00 0.00 175.76 176.03 2p45 n ALA 50 N 1.00 -0.22 -2.54 0.00 0.00 -0.49 -0.46 120.51 117.80 2p45 n ALA 50 Ca -0.18 -1.51 -0.25 0.00 0.00 0.00 0.00 53.44 51.50 2p45 n ALA 50 Cb 0.57 1.22 -0.11 0.00 0.00 0.00 0.00 19.45 21.13 2p45 n ALA 50 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2p45 s ASP 52 N -3.00 3.12 0.56 0.00 1.47 0.38 -1.67 116.67 117.54 2p45 s ASP 52 Ca 0.27 -1.40 0.36 0.00 1.18 0.00 0.00 52.55 52.97 2p45 s ASP 52 Cb -0.01 -0.17 1.69 0.00 -0.34 0.00 0.00 42.92 44.09 2p45 s ASP 52 CO 0.20 -0.57 2.08 0.77 0.68 0.00 0.00 175.17 178.34 2p45 h SER 53 N 1.92 0.00 -0.10 2.11 4.64 -0.81 -1.16 113.55 120.14 2p45 h SER 53 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2p45 h SER 53 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2p45 h SER 53 CO 0.74 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 2p45 n GLY 54 N -0.37 0.07 1.44 -0.77 0.00 -1.26 -4.42 105.19 99.87 2p45 n GLY 54 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2p45 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p45 n GLY 55 N 1.12 0.61 0.00 -0.02 0.00 -0.44 -5.04 105.19 101.42 2p45 n GLY 55 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2p45 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p45 n GLY 56 N -2.72 6.53 2.74 -0.02 0.00 -1.26 -4.85 105.19 105.61 2p45 n GLY 56 Ca 0.00 -1.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.07 2p45 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p45 n GLY 57 N 3.23 -0.50 3.75 -0.02 0.00 -1.26 -0.47 105.19 109.91 2p45 n GLY 57 Ca 0.00 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2p45 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p45 s THR 58 N -2.95 3.69 0.01 2.61 2.01 -1.26 -4.44 115.64 115.31 2p45 s THR 58 Ca 0.15 1.59 0.00 0.00 0.31 0.00 0.00 61.69 63.74 2p45 s THR 58 Cb -0.07 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 2p45 s THR 58 CO 0.18 0.34 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.68 2p45 s LEU 59 N -0.98 2.11 0.05 4.42 1.02 -0.67 -4.99 118.68 119.64 2p45 s LEU 59 Ca 0.46 -0.24 0.05 0.00 0.02 0.00 0.00 54.13 54.42 2p45 s LEU 59 Cb -0.30 0.04 -0.02 0.00 0.02 0.00 0.00 46.19 45.92 2p45 s LEU 59 CO 0.38 -0.14 -0.13 -0.31 0.02 0.00 0.00 176.35 176.16 2p45 s TYR 60 N -0.69 1.16 0.48 0.29 2.02 -1.26 -1.40 117.35 117.96 2p45 s TYR 60 Ca -0.07 -0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 55.98 2p45 s TYR 60 Cb -0.05 -0.67 -0.07 0.00 -0.40 0.00 0.00 41.96 40.77 2p45 s TYR 60 CO -0.00 0.04 1.39 0.00 -1.57 0.00 0.00 175.55 175.41 2p45 s ALA 61 N -1.06 3.09 0.35 3.71 0.00 -0.43 -4.82 121.76 122.60 2p45 s ALA 61 Ca -0.01 1.40 0.08 0.00 0.00 0.00 0.00 51.96 53.44 2p45 s ALA 61 Cb -0.09 -3.57 0.80 0.00 0.00 0.00 0.00 23.12 20.25 2p45 s ALA 61 CO 0.02 -1.23 1.88 -0.44 0.00 0.00 0.00 175.76 175.98 2p45 h ASP 62 N 2.04 0.67 0.95 0.00 3.32 -1.93 -1.57 116.42 119.90 2p45 h ASP 62 Ca -0.51 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2p45 h ASP 62 Cb 1.28 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2p45 h ASP 62 CO 0.60 0.35 0.00 -1.54 -1.72 0.00 0.00 179.24 176.93 2p45 n SER 63 N -4.56 0.02 -0.00 6.45 3.41 -1.26 -3.51 113.62 114.18 2p45 n SER 63 Ca 0.17 0.50 0.03 0.00 -0.26 0.00 0.00 58.87 59.31 2p45 n SER 63 Cb 0.44 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 2p45 n SER 63 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2p45 n VAL 64 N -1.52 0.00 -1.68 -3.33 0.24 -0.78 -4.97 118.33 106.28 2p45 n VAL 64 Ca 0.07 -0.24 -0.45 0.00 -2.04 0.00 0.00 64.34 61.67 2p45 n VAL 64 Cb 0.32 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 2p45 n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2p45 n LYS 65 N -1.45 2.19 0.00 7.34 4.81 -0.66 -1.11 118.16 129.28 2p45 n LYS 65 Ca -0.00 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2p45 n LYS 65 Cb 0.13 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 32.66 2p45 n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2p45 n GLY 66 N 2.92 2.66 1.10 3.14 0.00 -1.26 -5.05 105.19 108.70 2p45 n GLY 66 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2p45 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p45 n ARG 67 N -2.00 3.10 -3.63 1.61 1.74 -0.27 -5.01 116.66 112.19 2p45 n ARG 67 Ca 0.00 -2.53 -0.04 0.00 -0.77 0.00 0.00 57.85 54.52 2p45 n ARG 67 Cb 0.00 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 29.79 2p45 n ARG 67 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2p45 s THR 69 N -1.47 -0.05 0.14 0.55 2.01 0.03 -1.73 115.64 115.11 2p45 s THR 69 Ca 0.39 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.33 2p45 s THR 69 Cb 0.24 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.69 2p45 s THR 69 CO 0.21 0.00 0.40 -0.51 -0.69 0.00 0.00 174.62 174.04 2p45 s ILE 70 N 1.54 5.12 0.15 1.82 2.07 -1.26 -0.95 121.20 129.69 2p45 s ILE 70 Ca -0.09 0.19 -0.09 0.00 -1.41 0.00 0.00 60.65 59.25 2p45 s ILE 70 Cb -0.04 -3.63 -0.00 0.00 0.13 0.00 0.00 42.46 38.92 2p45 s ILE 70 CO -0.17 0.08 0.28 -0.94 -1.91 0.00 0.00 174.94 172.28 2p45 s SER 71 N -2.26 0.04 -0.00 4.50 1.04 -0.88 -4.99 113.70 111.14 2p45 s SER 71 Ca 0.40 -0.80 -0.07 0.00 0.48 0.00 0.00 55.95 55.96 2p45 s SER 71 Cb -0.12 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2p45 s SER 71 CO 0.22 -0.86 0.15 -0.13 0.98 0.00 0.00 173.24 173.60 2p45 s ARG 72 N -3.94 0.47 0.01 4.02 0.52 -1.26 -0.89 118.95 117.88 2p45 s ARG 72 Ca 0.14 -0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 54.71 2p45 s ARG 72 Cb 0.03 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 2p45 s ARG 72 CO -0.03 -0.11 1.03 -0.51 0.02 0.00 0.00 175.30 175.71 2p45 s ASP 73 N -1.25 7.30 0.31 0.23 1.01 -1.26 -4.95 116.67 118.06 2p45 s ASP 73 Ca -0.13 1.74 -0.29 0.00 0.71 0.00 0.00 52.55 54.58 2p45 s ASP 73 Cb -0.07 -2.57 -0.11 0.00 1.01 0.00 0.00 42.92 41.18 2p45 s ASP 73 CO 0.02 -0.31 1.50 -0.54 0.21 0.00 0.00 175.17 176.04 2p45 s LYS 74 N 1.04 4.17 0.00 8.23 1.02 -1.26 -1.81 119.74 131.13 2p45 s LYS 74 Ca 0.54 2.48 0.00 0.00 0.02 0.00 0.00 55.97 59.01 2p45 s LYS 74 Cb -0.23 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 2p45 s LYS 74 CO 0.28 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 2p45 n GLY 75 N 1.49 0.53 3.28 -3.33 0.00 -1.26 -5.01 105.19 100.89 2p45 n GLY 75 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 2p45 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p45 s LYS 76 N -0.27 1.14 -0.94 1.61 1.02 -0.75 -5.04 119.74 116.51 2p45 s LYS 76 Ca 0.00 -1.43 -0.04 0.00 0.02 0.00 0.00 55.97 54.52 2p45 s LYS 76 Cb 0.00 -0.90 0.14 0.00 -0.52 0.00 0.00 37.83 36.55 2p45 s LYS 76 CO 0.00 0.15 2.43 0.09 -0.92 0.00 0.00 175.35 177.10 2p45 n ASN 77 N -0.00 7.37 -4.38 2.83 3.02 -1.26 -4.70 115.26 118.14 2p45 n ASN 77 Ca -0.11 -3.29 -0.26 0.00 -0.03 0.00 0.00 54.58 50.89 2p45 n ASN 77 Cb 0.59 -1.27 -0.12 0.00 -0.61 0.00 0.00 39.78 38.37 2p45 n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2p45 s THR 78 N -2.24 2.15 -0.02 3.41 -4.23 -1.26 -1.08 115.64 112.37 2p45 s THR 78 Ca 0.54 -1.89 -0.19 0.00 -1.18 0.00 0.00 61.69 58.97 2p45 s THR 78 Cb 0.28 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 72.18 2p45 s THR 78 CO -0.17 -0.10 0.40 0.54 -0.54 0.00 0.00 174.62 174.75 2p45 s VAL 79 N -1.54 0.04 0.04 2.29 0.11 -0.82 -4.01 120.40 116.50 2p45 s VAL 79 Ca 0.16 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.87 2p45 s VAL 79 Cb -0.08 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 2p45 s VAL 79 CO 0.08 -0.20 -0.07 -0.31 -3.33 0.00 0.00 175.10 171.27 2p45 s TYR 80 N -1.33 0.60 -0.20 1.54 2.02 -0.07 -0.97 117.35 118.95 2p45 s TYR 80 Ca -0.13 -0.51 -0.00 0.00 -0.37 0.00 0.00 57.07 56.06 2p45 s TYR 80 Cb -0.04 -0.36 0.05 0.00 -0.40 0.00 0.00 41.96 41.21 2p45 s TYR 80 CO 0.05 -0.10 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.71 2p45 s LEU 81 N -1.57 1.96 0.00 -1.29 2.96 -0.28 -2.08 118.68 118.39 2p45 s LEU 81 Ca -0.11 -0.88 0.04 0.00 -0.22 0.00 0.00 54.13 52.96 2p45 s LEU 81 Cb -0.10 -1.00 0.06 0.00 0.50 0.00 0.00 46.19 45.65 2p45 s LEU 81 CO 0.00 -0.21 0.45 1.67 -1.32 0.00 0.00 176.35 176.94 2p45 n GLN 82 N 4.80 0.69 0.00 1.98 -0.06 -0.12 -0.65 117.38 124.02 2p45 n GLN 82 Ca -0.12 -1.64 0.00 0.00 -2.00 0.00 0.00 57.00 53.24 2p45 n GLN 82 Cb 0.46 -0.17 0.00 0.00 -4.06 0.00 0.00 30.24 26.47 2p45 n GLN 82 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2p45 n ASP 84 N -2.70 0.00 -3.24 1.69 8.00 -0.71 -0.79 116.55 118.80 2p45 n ASP 84 Ca 0.09 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.55 2p45 n ASP 84 Cb 0.32 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 2p45 n ASP 84 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2p45 s SER 85 N -2.07 -0.66 0.28 -2.24 0.15 -1.24 -4.06 113.70 103.87 2p45 s SER 85 Ca 0.00 -0.63 -0.30 0.00 0.70 0.00 0.00 55.95 55.72 2p45 s SER 85 Cb 0.00 1.54 -0.12 0.00 -1.71 0.00 0.00 66.02 65.73 2p45 s SER 85 CO 0.00 -0.25 1.55 0.18 1.20 0.00 0.00 173.24 175.92 2p45 n LEU 86 N 4.81 4.04 -4.76 3.45 4.77 -0.00 -4.62 117.00 124.69 2p45 n LEU 86 Ca 0.07 1.14 -0.26 0.00 -0.03 0.00 0.00 56.01 56.94 2p45 n LEU 86 Cb 0.52 -1.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.00 2p45 n LEU 86 CO 0.00 -0.01 -0.24 -0.54 -1.33 0.00 0.00 177.39 175.27 2p45 s LYS 87 N -0.46 2.76 0.36 3.23 1.02 -1.26 -0.81 119.74 124.58 2p45 s LYS 87 Ca 0.65 -0.97 0.11 0.00 0.02 0.00 0.00 55.97 55.79 2p45 s LYS 87 Cb -0.53 -2.55 0.90 0.00 -0.52 0.00 0.00 37.83 35.13 2p45 s LYS 87 CO 0.49 0.46 1.82 -1.35 -0.92 0.00 0.00 175.35 175.84 2p45 h PRO 88 N 2.34 0.59 0.00 -1.68 0.11 -1.93 -0.04 132.00 131.40 2p45 h PRO 88 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2p45 h PRO 88 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2p45 h PRO 88 CO 0.62 0.39 0.00 -0.85 -0.21 0.00 0.00 178.00 177.94 2p45 n GLU 89 N -4.63 0.03 0.00 1.05 0.28 -1.26 -2.26 120.64 113.86 2p45 n GLU 89 Ca 0.21 0.28 0.14 0.00 -0.16 0.00 0.00 57.16 57.63 2p45 n GLU 89 Cb 0.63 -1.50 0.60 0.00 1.43 0.00 0.00 31.44 32.60 2p45 n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2p45 n ASP 90 N -1.46 0.68 -4.69 -1.84 8.00 -0.03 -4.85 116.55 112.36 2p45 n ASP 90 Ca 0.03 -0.84 -0.42 0.00 0.71 0.00 0.00 54.79 54.27 2p45 n ASP 90 Cb 0.12 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 2p45 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2p45 s THR 91 N -2.34 2.48 0.00 -3.53 2.01 -0.96 -4.89 115.64 108.42 2p45 s THR 91 Ca 0.32 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.38 2p45 s THR 91 Cb 0.20 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.67 2p45 s THR 91 CO 0.44 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.37 2p45 n ALA 92 N 5.46 0.00 -2.70 7.40 0.00 -0.57 -4.55 120.51 125.55 2p45 n ALA 92 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 2p45 n ALA 92 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 2p45 n ALA 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2p45 s THR 93 N -2.00 5.02 -0.20 0.00 2.01 -0.55 -0.99 115.64 118.93 2p45 s THR 93 Ca 0.00 1.41 -0.08 0.00 0.31 0.00 0.00 61.69 63.33 2p45 s THR 93 Cb 0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2p45 s THR 93 CO 0.00 0.19 0.07 -0.31 -0.69 0.00 0.00 174.62 173.88 2p45 s TYR 94 N 1.22 3.21 -0.09 4.92 1.51 0.03 -1.09 117.35 127.07 2p45 s TYR 94 Ca 0.35 -0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.41 2p45 s TYR 94 Cb -0.17 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.53 2p45 s TYR 94 CO 0.15 0.03 -0.15 0.71 -1.11 0.00 0.00 175.55 175.18 2p45 s TYR 95 N 0.70 2.71 0.17 2.71 1.51 0.42 -0.57 117.35 125.01 2p45 s TYR 95 Ca 0.04 -0.45 -0.10 0.00 -1.01 0.00 0.00 57.07 55.54 2p45 s TYR 95 Cb -0.13 -1.72 -0.07 0.00 -0.11 0.00 0.00 41.96 39.93 2p45 s TYR 95 CO 0.02 -0.04 0.50 0.00 -1.11 0.00 0.00 175.55 174.92 2p45 s ALA 97 N -1.65 0.35 0.01 0.00 0.00 -0.23 -1.07 121.76 119.17 2p45 s ALA 97 Ca 0.42 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 2p45 s ALA 97 Cb -0.13 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2p45 s ALA 97 CO 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 175.76 175.83 2p45 s ALA 98 N -1.80 0.01 0.00 0.00 0.00 0.03 -1.27 121.76 118.73 2p45 s ALA 98 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2p45 s ALA 98 Cb -0.07 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2p45 s ALA 98 CO -0.02 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2p45 n GLY 99 N 2.33 0.94 0.00 0.00 0.00 -0.35 -2.45 105.19 105.66 2p45 n GLY 99 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2p45 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p45 n GLY 100 N -2.12 2.82 2.74 -0.02 0.00 -1.24 -4.57 105.19 102.81 2p45 n GLY 100 Ca 0.00 -1.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.01 2p45 n GLY 100 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p45 s TYR 101 N 3.25 -0.02 0.00 1.61 5.04 -1.26 -4.26 117.35 121.71 2p45 s TYR 101 Ca 0.00 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 2p45 s TYR 101 Cb 0.00 -0.37 0.00 0.00 0.35 0.00 0.00 41.96 41.94 2p45 s TYR 101 CO 0.00 -0.20 0.00 0.39 -1.34 0.00 0.00 175.55 174.40 2p45 n GLU 102 N 5.10 0.00 -1.02 4.97 1.02 -1.26 -1.93 120.64 127.52 2p45 n GLU 102 Ca -0.08 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.93 2p45 n GLU 102 Cb 0.50 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 32.10 2p45 n GLU 102 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2p45 n LEU 103 N 0.00 5.20 -4.47 -4.62 4.77 -1.26 -4.78 117.00 111.84 2p45 n LEU 103 Ca 0.00 -3.80 -0.43 0.00 -0.03 0.00 0.00 56.01 51.76 2p45 n LEU 103 Cb 0.00 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.34 2p45 n LEU 103 CO 0.00 1.24 0.85 -0.13 -1.33 0.00 0.00 177.39 178.03 2p45 s ARG 104 N -3.31 3.14 0.20 3.23 0.52 -0.81 -4.69 118.95 117.23 2p45 s ARG 104 Ca 0.50 -0.74 -0.12 0.00 -0.52 0.00 0.00 55.73 54.85 2p45 s ARG 104 Cb 0.44 -4.25 0.24 0.00 0.52 0.00 0.00 34.95 31.89 2p45 s ARG 104 CO 0.03 -1.89 1.70 0.22 0.02 0.00 0.00 175.30 175.38 2p45 h ASP 105 N 9.65 -0.08 0.50 0.23 1.82 -1.92 -1.04 116.42 125.58 2p45 h ASP 105 Ca -0.27 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 2p45 h ASP 105 Cb 1.06 0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.24 2p45 h ASP 105 CO 1.20 -0.02 0.00 0.08 -1.61 0.00 0.00 179.24 178.90 2p45 h ARG 106 N 0.20 0.00 0.00 0.28 0.11 -1.97 -2.36 114.38 110.64 2p45 h ARG 106 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 2p45 h ARG 106 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2p45 h ARG 106 CO -0.40 0.00 -0.13 0.25 0.10 0.00 0.00 179.97 179.80 2p45 n THR 107 N -2.70 0.13 -3.21 0.08 -2.24 -0.39 -4.83 114.28 101.11 2p45 n THR 107 Ca -0.00 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.32 2p45 n THR 107 Cb 0.17 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 2p45 n THR 107 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2p45 s TYR 108 N -3.03 3.52 -0.58 4.78 1.51 -0.89 -3.62 117.35 119.03 2p45 s TYR 108 Ca 0.12 1.00 0.18 0.00 -1.01 0.00 0.00 57.07 57.37 2p45 s TYR 108 Cb 0.17 -2.65 -0.23 0.00 -0.11 0.00 0.00 41.96 39.14 2p45 s TYR 108 CO 0.58 0.11 0.65 0.41 -1.11 0.00 0.00 175.55 176.19 2p45 n GLY 109 N 3.27 -0.75 3.17 0.71 0.00 -1.16 -4.92 105.19 105.52 2p45 n GLY 109 Ca -0.05 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 2p45 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p45 s GLN 110 N -2.89 2.72 -0.02 1.61 -1.52 -1.03 -5.01 119.66 113.52 2p45 s GLN 110 Ca 0.02 -0.76 0.02 0.00 -1.95 0.00 0.00 55.36 52.69 2p45 s GLN 110 Cb 0.13 -2.08 0.00 0.00 -0.22 0.00 0.00 33.01 30.84 2p45 s GLN 110 CO 0.75 0.14 -0.07 -1.58 -0.25 0.00 0.00 175.29 174.28 2p45 s TRP 111 N 0.43 0.70 1.02 0.91 0.52 -1.26 -0.79 118.94 120.47 2p45 s TRP 111 Ca -0.18 -0.15 -0.13 0.00 0.02 0.00 0.00 56.10 55.66 2p45 s TRP 111 Cb -0.17 -0.50 0.20 0.00 -1.15 0.00 0.00 33.47 31.84 2p45 s TRP 111 CO 0.07 -0.06 1.11 0.20 0.02 0.00 0.00 176.95 178.29 2p45 s GLY 112 N 0.12 1.57 0.11 0.98 0.00 -0.23 -4.96 107.32 104.91 2p45 s GLY 112 Ca -0.01 -0.52 0.27 0.00 0.00 0.00 0.00 44.72 44.46 2p45 s GLY 112 CO -0.00 0.13 1.81 0.61 0.00 0.00 0.00 173.10 175.65 2p45 n GLN 113 N -4.19 0.14 0.00 2.90 10.64 -1.26 -4.73 117.38 120.88 2p45 n GLN 113 Ca 0.07 0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 2p45 n GLN 113 Cb 0.58 -1.66 0.00 0.00 -0.86 0.00 0.00 30.24 28.30 2p45 n GLN 113 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2p45 n GLY 114 N 1.40 2.05 3.26 2.61 0.00 -1.26 -5.01 105.19 108.24 2p45 n GLY 114 Ca 0.06 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 2p45 n GLY 114 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2p45 s THR 115 N -0.68 2.68 -0.00 2.61 -1.32 0.27 -4.90 115.64 114.31 2p45 s THR 115 Ca 0.00 -0.76 -0.29 0.00 -1.21 0.00 0.00 61.69 59.43 2p45 s THR 115 Cb 0.00 -2.14 -0.03 0.00 -1.51 0.00 0.00 72.50 68.82 2p45 s THR 115 CO 0.00 0.51 0.94 -1.58 -2.21 0.00 0.00 174.62 172.28 2p45 s GLN 116 N 0.87 4.55 -0.21 7.08 2.00 -1.26 -0.79 119.66 131.91 2p45 s GLN 116 Ca -0.04 1.34 -0.01 0.00 -2.00 0.00 0.00 55.36 54.65 2p45 s GLN 116 Cb -0.15 -3.45 0.01 0.00 0.80 0.00 0.00 33.01 30.22 2p45 s GLN 116 CO -0.01 -0.01 -0.11 0.08 -0.50 0.00 0.00 175.29 174.74 2p45 s VAL 117 N 0.89 2.75 -0.24 1.34 1.01 -0.16 0.08 120.40 126.07 2p45 s VAL 117 Ca 0.49 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2p45 s VAL 117 Cb -0.21 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 33.96 2p45 s VAL 117 CO 0.27 0.43 -0.10 -0.89 0.00 0.00 0.00 175.10 174.80 2p45 s THR 118 N 1.38 2.52 -0.29 3.92 2.01 -0.47 -1.51 115.64 123.19 2p45 s THR 118 Ca 0.04 -1.16 -0.15 0.00 0.31 0.00 0.00 61.69 60.74 2p45 s THR 118 Cb -0.14 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 2p45 s THR 118 CO -0.07 0.22 0.38 -0.69 -0.69 0.00 0.00 174.62 173.77 2p45 s VAL 119 N 1.26 5.16 0.11 3.82 1.01 -1.26 -0.80 120.40 129.70 2p45 s VAL 119 Ca -0.01 0.46 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 2p45 s VAL 119 Cb -0.17 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 2p45 s VAL 119 CO -0.06 0.09 0.81 -0.55 0.00 0.00 0.00 175.10 175.38 2p45 s SER 120 N 1.67 7.35 0.00 3.32 0.15 0.15 -4.82 113.70 121.51 2p45 s SER 120 Ca 0.15 1.60 0.00 0.00 0.70 0.00 0.00 55.95 58.40 2p45 s SER 120 Cb -0.16 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2p45 s SER 120 CO 0.11 0.07 0.00 -1.54 1.20 0.00 0.00 173.24 173.08