#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p49 h SER 0 N 0.00 0.00 -2.93 1.61 4.64 -1.99 -3.42 113.55 111.46 2p49 h SER 0 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 2p49 h SER 0 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 2p49 h SER 0 CO 0.00 0.09 -0.54 -1.10 -0.87 0.00 0.00 176.83 174.42 2p49 s GLN 1 N -3.75 3.25 0.12 4.77 -1.52 -1.26 -5.05 119.66 116.21 2p49 s GLN 1 Ca 0.00 -0.34 -0.30 0.00 -1.95 0.00 0.00 55.36 52.77 2p49 s GLN 1 Cb 0.10 -3.00 -0.07 0.00 -0.22 0.00 0.00 33.01 29.82 2p49 s GLN 1 CO 0.57 0.70 1.26 0.08 -0.25 0.00 0.00 175.29 177.65 2p49 s VAL 2 N -1.14 3.64 -0.06 1.09 1.01 -1.26 -4.36 120.40 119.33 2p49 s VAL 2 Ca 0.21 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.45 2p49 s VAL 2 Cb -0.12 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.48 2p49 s VAL 2 CO 0.11 0.13 -0.08 -1.10 0.00 0.00 0.00 175.10 174.17 2p49 s GLN 3 N 0.59 1.21 -0.55 2.72 -0.21 -0.52 -4.98 119.66 117.91 2p49 s GLN 3 Ca 0.58 -0.23 -0.16 0.00 0.02 0.00 0.00 55.36 55.57 2p49 s GLN 3 Cb -0.33 -1.11 0.13 0.00 1.00 0.00 0.00 33.01 32.70 2p49 s GLN 3 CO 0.32 -0.05 0.53 -0.51 -2.12 0.00 0.00 175.29 173.46 2p49 s LEU 4 N 0.88 6.12 -0.38 2.90 1.02 -1.26 -1.02 118.68 126.94 2p49 s LEU 4 Ca -0.11 -1.78 -0.26 0.00 0.02 0.00 0.00 54.13 52.00 2p49 s LEU 4 Cb -0.15 -2.22 0.02 0.00 0.02 0.00 0.00 46.19 43.86 2p49 s LEU 4 CO 0.01 -0.88 0.93 -0.69 0.02 0.00 0.00 176.35 175.74 2p49 s VAL 5 N 1.68 4.57 -0.11 -1.59 1.01 -0.32 -4.52 120.40 121.11 2p49 s VAL 5 Ca 0.04 1.12 -0.09 0.00 0.00 0.00 0.00 61.98 63.06 2p49 s VAL 5 Cb -0.29 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 2p49 s VAL 5 CO 0.03 -0.58 0.20 -1.61 0.00 0.00 0.00 175.10 173.13 2p49 s GLU 6 N 3.52 3.66 0.25 2.72 2.02 -1.26 -1.56 118.70 128.04 2p49 s GLU 6 Ca 0.38 -0.03 -0.05 0.00 0.02 0.00 0.00 54.97 55.29 2p49 s GLU 6 Cb -0.12 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.86 2p49 s GLU 6 CO 0.20 0.68 0.32 -1.54 0.02 0.00 0.00 175.26 174.94 2p49 s SER 7 N -0.80 0.34 0.00 -0.19 1.04 -0.35 -5.00 113.70 108.74 2p49 s SER 7 Ca 0.16 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2p49 s SER 7 Cb -0.13 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2p49 s SER 7 CO 0.05 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.84 2p49 n GLY 8 N -0.39 -0.73 7.00 7.32 0.00 -1.26 -1.27 105.19 115.86 2p49 n GLY 8 Ca 0.01 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2p49 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p49 n GLY 9 N 0.00 0.09 0.00 -0.02 0.00 -0.51 -4.94 105.19 99.81 2p49 n GLY 9 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2p49 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p49 n GLY 10 N 0.00 -1.20 3.78 -0.02 0.00 -0.16 -4.93 105.19 102.66 2p49 n GLY 10 Ca 0.00 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 2p49 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2p49 s LEU 11 N 0.00 4.40 0.04 0.99 2.96 -1.26 -1.55 118.68 124.26 2p49 s LEU 11 Ca 0.00 1.00 -0.19 0.00 -0.22 0.00 0.00 54.13 54.72 2p49 s LEU 11 Cb 0.00 -2.74 0.04 0.00 0.50 0.00 0.00 46.19 43.99 2p49 s LEU 11 CO 0.00 0.16 0.44 0.54 -1.32 0.00 0.00 176.35 176.17 2p49 s VAL 12 N -0.33 0.05 0.51 1.68 0.11 -0.24 -4.94 120.40 117.24 2p49 s VAL 12 Ca 0.27 -0.40 -0.18 0.00 -2.93 0.00 0.00 61.98 58.74 2p49 s VAL 12 Cb -0.17 -0.93 -0.07 0.00 -1.53 0.00 0.00 36.38 33.68 2p49 s VAL 12 CO 0.14 -0.22 1.02 -1.10 -3.33 0.00 0.00 175.10 171.61 2p49 s GLN 13 N -2.32 3.77 0.32 1.54 1.11 -1.26 -1.24 119.66 121.59 2p49 s GLN 13 Ca -0.06 1.19 -0.29 0.00 0.01 0.00 0.00 55.36 56.21 2p49 s GLN 13 Cb -0.01 -2.10 -0.12 0.00 -1.01 0.00 0.00 33.01 29.77 2p49 s GLN 13 CO -0.01 -0.43 1.36 0.00 0.01 0.00 0.00 175.29 176.21 2p49 n ALA 14 N -1.34 1.47 0.00 6.09 0.00 0.11 -1.19 120.51 125.66 2p49 n ALA 14 Ca 0.08 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2p49 n ALA 14 Cb 0.53 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2p49 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p49 n GLY 15 N 1.11 1.60 1.10 0.00 0.00 0.86 -4.95 105.19 104.91 2p49 n GLY 15 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 2p49 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p49 n GLY 16 N -2.00 0.00 3.12 -0.02 0.00 -0.33 -4.21 105.19 101.75 2p49 n GLY 16 Ca 0.00 -1.87 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 2p49 n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2p49 s SER 17 N -2.24 1.35 0.07 1.61 0.01 -1.26 -2.02 113.70 111.22 2p49 s SER 17 Ca 0.20 -0.55 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 2p49 s SER 17 Cb -0.01 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 2p49 s SER 17 CO 0.13 -0.10 0.06 -0.76 0.41 0.00 0.00 173.24 172.99 2p49 s LEU 18 N -1.54 2.04 -0.02 2.44 1.43 -0.51 -5.02 118.68 117.51 2p49 s LEU 18 Ca -0.04 -0.86 0.07 0.00 -1.03 0.00 0.00 54.13 52.27 2p49 s LEU 18 Cb -0.09 0.54 -0.02 0.00 0.03 0.00 0.00 46.19 46.65 2p49 s LEU 18 CO 0.01 -0.66 -0.24 -0.60 0.23 0.00 0.00 176.35 175.10 2p49 s ARG 19 N -3.90 1.94 -0.09 1.70 3.52 -1.26 -0.47 118.95 120.39 2p49 s ARG 19 Ca 0.06 -0.87 -0.01 0.00 -0.13 0.00 0.00 55.73 54.79 2p49 s ARG 19 Cb 0.07 -1.88 -0.03 0.00 -1.56 0.00 0.00 34.95 31.54 2p49 s ARG 19 CO -0.10 0.52 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.36 2p49 s LEU 20 N -0.59 3.35 0.05 -0.88 1.43 -0.30 -1.42 118.68 120.32 2p49 s LEU 20 Ca 0.09 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.30 2p49 s LEU 20 Cb -0.09 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2p49 s LEU 20 CO -0.01 0.34 -0.21 -0.44 0.23 0.00 0.00 176.35 176.26 2p49 s SER 21 N -0.68 2.53 -0.02 2.29 0.01 -0.39 -0.89 113.70 116.55 2p49 s SER 21 Ca 0.10 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2p49 s SER 21 Cb -0.12 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 65.94 2p49 s SER 21 CO 0.02 0.16 0.02 0.00 0.41 0.00 0.00 173.24 173.85 2p49 s ALA 23 N 1.05 1.27 0.15 0.00 0.00 -0.60 -1.00 121.76 122.63 2p49 s ALA 23 Ca -0.09 -0.49 -0.28 0.00 0.00 0.00 0.00 51.96 51.11 2p49 s ALA 23 Cb -0.13 -0.80 -0.07 0.00 0.00 0.00 0.00 23.12 22.11 2p49 s ALA 23 CO -0.03 -0.27 0.87 0.00 0.00 0.00 0.00 175.76 176.33 2p49 s ALA 24 N 1.42 3.35 0.23 0.00 0.00 -0.17 -1.18 121.76 125.42 2p49 s ALA 24 Ca -0.01 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.51 2p49 s ALA 24 Cb -0.13 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 2p49 s ALA 24 CO -0.05 0.15 -0.13 -1.54 0.00 0.00 0.00 175.76 174.19 2p49 s SER 25 N -0.68 2.77 0.00 0.00 1.04 -0.19 -4.83 113.70 111.81 2p49 s SER 25 Ca 0.41 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2p49 s SER 25 Cb -0.24 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.72 2p49 s SER 25 CO 0.28 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2p49 n GLY 26 N -0.46 0.81 3.27 7.32 0.00 -1.26 -1.44 105.19 113.42 2p49 n GLY 26 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2p49 n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p49 s TYR 27 N -3.13 2.87 -0.73 1.61 5.04 -1.26 -4.42 117.35 117.33 2p49 s TYR 27 Ca 0.00 -1.05 0.26 0.00 -2.44 0.00 0.00 57.07 53.84 2p49 s TYR 27 Cb 0.00 -1.98 0.72 0.00 0.35 0.00 0.00 41.96 41.05 2p49 s TYR 27 CO 0.00 -0.53 1.68 0.00 -1.34 0.00 0.00 175.55 175.36 2p49 n ALA 28 N 4.41 2.44 -3.38 3.97 0.00 -1.26 -4.86 120.51 121.83 2p49 n ALA 28 Ca -0.19 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2p49 n ALA 28 Cb 0.51 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2p49 n ALA 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2p49 n TYR 29 N -2.19 -0.61 -4.08 0.00 4.01 -1.26 -5.11 117.16 107.91 2p49 n TYR 29 Ca 0.05 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.45 2p49 n TYR 29 Cb 0.43 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.35 2p49 n TYR 29 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2p49 s THR 30 N 0.15 4.42 0.03 -0.72 2.01 -1.26 -4.92 115.64 115.35 2p49 s THR 30 Ca 0.00 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 2p49 s THR 30 Cb 0.00 -2.99 -0.06 0.00 0.01 0.00 0.00 72.50 69.46 2p49 s THR 30 CO 0.00 0.45 1.37 -0.31 -0.69 0.00 0.00 174.62 175.44 2p49 s TYR 31 N 0.60 3.00 0.03 4.92 2.02 -1.26 -4.94 117.35 121.71 2p49 s TYR 31 Ca 0.01 0.90 -0.25 0.00 -0.37 0.00 0.00 57.07 57.36 2p49 s TYR 31 Cb -0.13 -3.64 -0.17 0.00 -0.40 0.00 0.00 41.96 37.61 2p49 s TYR 31 CO 0.02 -2.30 1.44 0.82 -1.57 0.00 0.00 175.55 173.96 2p49 h ILE 32 N 4.74 1.01 -3.60 2.71 2.04 -1.93 -3.40 117.51 119.07 2p49 h ILE 32 Ca -0.39 -0.54 -0.68 0.00 1.00 0.00 0.00 64.86 64.25 2p49 h ILE 32 Cb 1.19 1.35 -0.20 0.00 -0.74 0.00 0.00 36.82 38.42 2p49 h ILE 32 CO 0.89 0.13 -0.69 -0.31 0.00 0.00 0.00 178.15 178.16 2p49 s TYR 33 N -5.12 2.94 0.13 1.37 2.02 -1.26 0.17 117.35 117.60 2p49 s TYR 33 Ca -0.15 -0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.55 2p49 s TYR 33 Cb 0.03 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 2p49 s TYR 33 CO 0.63 0.26 -0.12 -1.64 -1.57 0.00 0.00 175.55 173.10 2p49 s MET 34 N -0.60 1.03 0.24 -0.62 -1.94 -1.00 -1.48 119.30 114.93 2p49 s MET 34 Ca 0.09 -1.31 -0.15 0.00 -1.71 0.00 0.00 55.69 52.61 2p49 s MET 34 Cb -0.12 -0.79 0.06 0.00 2.01 0.00 0.00 34.83 35.99 2p49 s MET 34 CO 0.02 0.13 0.77 0.41 -0.01 0.00 0.00 175.02 176.34 2p49 n GLY 35 N 0.28 0.92 3.23 -0.03 0.00 -0.51 -1.45 105.19 107.63 2p49 n GLY 35 Ca -0.14 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 2p49 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2p49 s TRP 36 N -2.98 2.56 0.35 1.61 0.52 0.22 -0.98 118.94 120.25 2p49 s TRP 36 Ca 0.16 -1.02 0.08 0.00 0.02 0.00 0.00 56.10 55.35 2p49 s TRP 36 Cb -0.03 -1.71 -0.05 0.00 -1.15 0.00 0.00 33.47 30.53 2p49 s TRP 36 CO 0.07 -0.40 0.09 -0.06 0.02 0.00 0.00 176.95 176.67 2p49 s PHE 37 N 0.31 2.62 0.05 -1.98 0.40 -0.18 -0.37 117.98 118.84 2p49 s PHE 37 Ca -0.18 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 55.63 2p49 s PHE 37 Cb -0.18 -1.62 -0.00 0.00 0.51 0.00 0.00 43.02 41.73 2p49 s PHE 37 CO 0.09 0.38 0.17 -0.98 0.70 0.00 0.00 175.22 175.57 2p49 s ARG 38 N -3.80 0.70 -0.27 0.44 1.70 0.07 -0.60 118.95 117.20 2p49 s ARG 38 Ca 0.37 -0.74 0.01 0.00 -0.47 0.00 0.00 55.73 54.90 2p49 s ARG 38 Cb -0.00 0.29 0.08 0.00 -0.57 0.00 0.00 34.95 34.74 2p49 s ARG 38 CO 0.21 -0.20 0.00 -1.14 -1.08 0.00 0.00 175.30 173.09 2p49 s GLN 39 N -2.87 1.35 0.46 3.89 0.74 0.22 -0.98 119.66 122.47 2p49 s GLN 39 Ca -0.03 -1.13 -0.15 0.00 0.05 0.00 0.00 55.36 54.10 2p49 s GLN 39 Cb 0.00 -2.54 -0.08 0.00 1.10 0.00 0.00 33.01 31.49 2p49 s GLN 39 CO -0.06 -0.74 0.91 0.00 -0.55 0.00 0.00 175.29 174.85 2p49 s ALA 40 N 1.39 3.16 0.16 1.58 0.00 -1.26 -1.82 121.76 124.97 2p49 s ALA 40 Ca 0.01 0.09 -0.34 0.00 0.00 0.00 0.00 51.96 51.72 2p49 s ALA 40 Cb -0.18 -2.99 -0.15 0.00 0.00 0.00 0.00 23.12 19.80 2p49 s ALA 40 CO -0.11 -0.09 1.42 -2.30 0.00 0.00 0.00 175.76 174.68 2p49 n PRO 41 N -1.31 1.74 -0.85 0.00 -0.02 -1.26 -1.63 135.00 131.67 2p49 n PRO 41 Ca 0.05 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2p49 n PRO 41 Cb 0.54 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2p49 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p49 n GLY 42 N 2.70 0.71 3.10 -1.23 0.00 -1.26 -5.01 105.19 104.20 2p49 n GLY 42 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 2p49 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p49 s LYS 43 N -0.15 0.64 0.70 1.61 -0.14 -0.65 -5.15 119.74 116.61 2p49 s LYS 43 Ca 0.00 -1.02 -0.12 0.00 -1.36 0.00 0.00 55.97 53.47 2p49 s LYS 43 Cb 0.00 -0.19 0.02 0.00 -1.68 0.00 0.00 37.83 35.98 2p49 s LYS 43 CO 0.00 0.00 1.08 -1.21 -0.76 0.00 0.00 175.35 174.46 2p49 s GLU 44 N -2.67 2.73 0.46 1.68 2.02 -1.26 -4.42 118.70 117.24 2p49 s GLU 44 Ca -0.00 1.12 -0.25 0.00 0.02 0.00 0.00 54.97 55.87 2p49 s GLU 44 Cb -0.02 -1.96 -0.08 0.00 0.10 0.00 0.00 34.13 32.17 2p49 s GLU 44 CO -0.03 -1.27 1.37 -2.13 0.02 0.00 0.00 175.26 173.22 2p49 n ARG 45 N -3.01 2.05 -3.94 1.61 0.63 -1.26 -4.58 116.66 108.15 2p49 n ARG 45 Ca 0.09 0.73 -0.10 0.00 -0.92 0.00 0.00 57.85 57.65 2p49 n ARG 45 Cb 0.53 -2.55 -0.11 0.00 0.45 0.00 0.00 32.46 30.78 2p49 n ARG 45 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2p49 s GLU 46 N -2.46 0.32 0.14 -0.14 -1.05 -0.15 -4.97 118.70 110.39 2p49 s GLU 46 Ca 0.63 -0.48 -0.30 0.00 -0.15 0.00 0.00 54.97 54.66 2p49 s GLU 46 Cb -0.46 0.12 -0.08 0.00 -0.44 0.00 0.00 34.13 33.27 2p49 s GLU 46 CO 0.56 -0.06 1.29 0.20 0.95 0.00 0.00 175.26 178.21 2p49 s GLY 47 N -1.27 2.33 -0.24 -3.83 0.00 -1.26 -0.75 107.32 102.31 2p49 s GLY 47 Ca -0.14 1.04 -0.09 0.00 0.00 0.00 0.00 44.72 45.53 2p49 s GLY 47 CO -0.00 2.11 -0.28 -0.62 0.00 0.00 0.00 173.10 174.31 2p49 n VAL 48 N 3.26 1.31 -3.57 1.40 0.31 0.50 -4.16 118.33 117.38 2p49 n VAL 48 Ca 0.08 -0.37 -0.16 0.00 -0.01 0.00 0.00 64.34 63.87 2p49 n VAL 48 Cb 0.44 -1.69 -0.06 0.00 -0.91 0.00 0.00 33.84 31.61 2p49 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2p49 s ALA 49 N -2.44 -1.72 0.03 3.52 0.00 -0.96 -1.05 121.76 119.14 2p49 s ALA 49 Ca -0.33 1.50 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 2p49 s ALA 49 Cb 0.12 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2p49 s ALA 49 CO 0.45 -0.35 0.25 0.00 0.00 0.00 0.00 175.76 176.11 2p49 s ALA 50 N -0.67 -0.56 -0.12 0.00 0.00 -0.56 -0.61 121.76 119.24 2p49 s ALA 50 Ca -0.07 -0.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 2p49 s ALA 50 Cb -0.02 0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.39 2p49 s ALA 50 CO 0.07 -0.35 0.45 1.41 0.00 0.00 0.00 175.76 177.33 2p49 s MET 51 N -2.24 0.62 0.76 0.00 1.75 -0.53 -1.70 119.30 117.96 2p49 s MET 51 Ca -0.07 0.41 -0.09 0.00 -1.25 0.00 0.00 55.69 54.69 2p49 s MET 51 Cb -0.02 0.29 0.08 0.00 2.84 0.00 0.00 34.83 38.03 2p49 s MET 51 CO -0.02 -0.12 1.09 0.16 -0.65 0.00 0.00 175.02 175.48 2p49 s ASP 52 N -0.26 4.52 0.44 1.11 1.47 0.15 -2.36 116.67 121.73 2p49 s ASP 52 Ca -0.04 0.46 0.30 0.00 1.18 0.00 0.00 52.55 54.45 2p49 s ASP 52 Cb -0.03 -0.99 1.21 0.00 -0.34 0.00 0.00 42.92 42.77 2p49 s ASP 52 CO 0.02 -1.81 1.88 0.77 0.68 0.00 0.00 175.17 176.71 2p49 h SER 53 N -0.82 0.00 0.07 2.11 4.64 -0.49 -0.56 113.55 118.50 2p49 h SER 53 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2p49 h SER 53 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2p49 h SER 53 CO 0.58 0.00 -0.02 0.61 -0.87 0.00 0.00 176.83 177.13 2p49 n GLY 54 N 0.04 -0.64 1.16 -0.77 0.00 -1.26 -4.91 105.19 98.82 2p49 n GLY 54 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2p49 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p49 n GLY 55 N 1.12 0.74 0.00 -0.02 0.00 -0.22 -5.04 105.19 101.77 2p49 n GLY 55 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2p49 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p49 n GLY 56 N -2.45 5.02 2.75 -0.02 0.00 -1.26 -4.75 105.19 104.48 2p49 n GLY 56 Ca 0.00 -2.11 -0.19 0.00 0.00 0.00 0.00 46.02 43.72 2p49 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p49 n GLY 57 N 5.00 -0.50 3.71 -0.02 0.00 -1.26 -0.68 105.19 111.44 2p49 n GLY 57 Ca 0.00 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2p49 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p49 s THR 58 N -2.93 4.43 -0.00 2.61 2.01 -1.26 -4.42 115.64 116.07 2p49 s THR 58 Ca 0.15 1.74 0.02 0.00 0.31 0.00 0.00 61.69 63.91 2p49 s THR 58 Cb -0.07 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 2p49 s THR 58 CO 0.19 0.13 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.44 2p49 s LEU 59 N 1.04 2.03 0.05 4.42 1.43 -0.69 -4.99 118.68 121.97 2p49 s LEU 59 Ca 0.56 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 2p49 s LEU 59 Cb -0.25 -0.28 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 2p49 s LEU 59 CO 0.29 0.05 -0.17 -0.31 0.23 0.00 0.00 176.35 176.43 2p49 s TYR 60 N -0.22 1.50 0.39 0.29 2.02 -1.26 -1.49 117.35 118.57 2p49 s TYR 60 Ca 0.01 -0.38 -0.26 0.00 -0.37 0.00 0.00 57.07 56.07 2p49 s TYR 60 Cb -0.03 -0.88 -0.11 0.00 -0.40 0.00 0.00 41.96 40.55 2p49 s TYR 60 CO -0.00 0.08 1.24 0.00 -1.57 0.00 0.00 175.55 175.31 2p49 n ALA 61 N 1.68 1.15 -0.30 3.71 0.00 -0.21 -4.87 120.51 121.66 2p49 n ALA 61 Ca -0.18 0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.65 2p49 n ALA 61 Cb 0.54 -2.24 0.33 0.00 0.00 0.00 0.00 19.45 18.08 2p49 n ALA 61 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2p49 h ASP 62 N 2.18 0.75 0.71 0.00 1.82 -1.92 -1.79 116.42 118.16 2p49 h ASP 62 Ca -0.47 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 2p49 h ASP 62 Cb 1.30 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.20 2p49 h ASP 62 CO 0.60 0.38 0.00 0.77 -1.61 0.00 0.00 179.24 179.39 2p49 h SER 63 N 0.79 0.00 -0.00 2.28 4.64 -1.98 -3.08 113.55 116.21 2p49 h SER 63 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2p49 h SER 63 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2p49 h SER 63 CO -0.23 0.00 -0.12 1.33 -0.87 0.00 0.00 176.83 176.94 2p49 n VAL 64 N -2.73 0.00 -1.70 0.95 0.24 -0.70 -4.95 118.33 109.44 2p49 n VAL 64 Ca 0.00 -0.44 -0.44 0.00 -2.04 0.00 0.00 64.34 61.43 2p49 n VAL 64 Cb 0.23 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.64 2p49 n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2p49 n LYS 65 N -0.32 2.44 -0.06 7.34 4.81 -1.06 -1.25 118.16 130.05 2p49 n LYS 65 Ca 0.03 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 2p49 n LYS 65 Cb 0.13 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.51 2p49 n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2p49 n GLY 66 N 3.33 2.15 0.05 3.14 0.00 -1.26 -4.80 105.19 107.80 2p49 n GLY 66 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 2p49 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p49 n ARG 67 N -2.00 0.89 -4.16 1.61 1.74 -0.38 -5.04 116.66 109.32 2p49 n ARG 67 Ca 0.00 0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.79 2p49 n ARG 67 Cb 0.00 -1.20 -0.08 0.00 -1.02 0.00 0.00 32.46 30.16 2p49 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2p49 s PHE 68 N -2.20 3.21 -0.10 -1.55 0.40 -0.76 -1.83 117.98 115.15 2p49 s PHE 68 Ca -0.11 0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.38 2p49 s PHE 68 Cb 0.03 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 41.87 2p49 s PHE 68 CO 0.25 0.52 -0.09 0.99 0.70 0.00 0.00 175.22 177.60 2p49 s THR 69 N -1.16 1.04 0.07 0.64 2.01 -0.03 -4.85 115.64 113.37 2p49 s THR 69 Ca 0.22 -0.34 -0.09 0.00 0.31 0.00 0.00 61.69 61.79 2p49 s THR 69 Cb -0.12 -1.03 -0.06 0.00 0.01 0.00 0.00 72.50 71.31 2p49 s THR 69 CO 0.13 0.36 0.38 -0.51 -0.69 0.00 0.00 174.62 174.29 2p49 s ILE 70 N 1.37 5.13 0.00 1.82 2.07 -1.26 -0.78 121.20 129.55 2p49 s ILE 70 Ca -0.01 0.38 -0.09 0.00 -1.41 0.00 0.00 60.65 59.51 2p49 s ILE 70 Cb -0.14 -3.63 0.01 0.00 0.13 0.00 0.00 42.46 38.83 2p49 s ILE 70 CO -0.04 0.28 0.19 -0.94 -1.91 0.00 0.00 174.94 172.51 2p49 s SER 71 N -1.81 -0.03 -0.05 4.50 1.04 -0.52 -4.99 113.70 111.85 2p49 s SER 71 Ca 0.33 -0.14 0.07 0.00 0.48 0.00 0.00 55.95 56.68 2p49 s SER 71 Cb -0.14 0.24 0.11 0.00 0.10 0.00 0.00 66.02 66.33 2p49 s SER 71 CO 0.18 -0.41 0.98 0.54 0.98 0.00 0.00 173.24 175.51 2p49 n ARG 72 N 1.34 1.24 -0.10 4.02 1.74 -1.26 -1.00 116.66 122.65 2p49 n ARG 72 Ca -0.22 -1.63 0.05 0.00 -0.77 0.00 0.00 57.85 55.28 2p49 n ARG 72 Cb 0.56 -0.99 0.17 0.00 -1.02 0.00 0.00 32.46 31.18 2p49 n ARG 72 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2p49 n ASP 73 N -0.65 1.12 -0.70 0.55 3.85 -1.26 -4.28 116.55 115.18 2p49 n ASP 73 Ca 0.06 -1.91 0.06 0.00 -0.71 0.00 0.00 54.79 52.29 2p49 n ASP 73 Cb 0.53 -0.13 0.21 0.00 -1.35 0.00 0.00 41.12 40.38 2p49 n ASP 73 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2p49 n LYS 74 N 0.08 2.14 0.00 0.11 5.02 -1.26 -5.01 118.16 119.24 2p49 n LYS 74 Ca 0.09 -2.87 0.00 0.00 -2.02 0.00 0.00 58.31 53.51 2p49 n LYS 74 Cb 0.19 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 2p49 n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2p49 n GLY 75 N -0.94 4.55 3.75 0.72 0.00 -1.26 -4.97 105.19 107.03 2p49 n GLY 75 Ca 0.22 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2p49 n GLY 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2p49 n LYS 76 N -1.77 2.74 -4.09 1.61 4.81 -1.26 -2.36 118.16 117.84 2p49 n LYS 76 Ca 0.00 0.98 -0.32 0.00 -0.87 0.00 0.00 58.31 58.09 2p49 n LYS 76 Cb 0.00 -2.77 -0.01 0.00 0.02 0.00 0.00 35.03 32.26 2p49 n LYS 76 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2p49 n ASN 77 N 2.30 -2.88 -4.49 3.14 3.02 -1.26 -4.71 115.26 110.38 2p49 n ASN 77 Ca 0.09 -0.96 -0.30 0.00 -0.03 0.00 0.00 54.58 53.38 2p49 n ASN 77 Cb 0.37 -3.08 -0.11 0.00 -0.61 0.00 0.00 39.78 36.35 2p49 n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2p49 s THR 78 N -3.46 2.89 -0.09 3.41 -4.23 -1.00 -1.00 115.64 112.17 2p49 s THR 78 Ca 0.54 -1.41 -0.05 0.00 -1.18 0.00 0.00 61.69 59.59 2p49 s THR 78 Cb -0.29 -2.31 0.04 0.00 1.34 0.00 0.00 72.50 71.28 2p49 s THR 78 CO 0.90 0.15 0.22 0.54 -0.54 0.00 0.00 174.62 175.88 2p49 s VAL 79 N -1.11 -0.04 0.12 2.29 0.11 -0.17 -4.51 120.40 117.10 2p49 s VAL 79 Ca 0.18 0.13 0.10 0.00 -2.93 0.00 0.00 61.98 59.46 2p49 s VAL 79 Cb -0.11 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 2p49 s VAL 79 CO 0.10 0.05 -0.25 -0.31 -3.33 0.00 0.00 175.10 171.36 2p49 s TYR 80 N 1.05 2.13 -0.24 1.54 2.02 -0.17 -1.24 117.35 122.45 2p49 s TYR 80 Ca -0.08 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.22 2p49 s TYR 80 Cb -0.09 -1.15 0.07 0.00 -0.40 0.00 0.00 41.96 40.39 2p49 s TYR 80 CO -0.07 0.30 0.03 -1.17 -1.57 0.00 0.00 175.55 173.08 2p49 s LEU 81 N -2.05 1.81 -0.15 -1.29 2.96 -0.06 -1.44 118.68 118.46 2p49 s LEU 81 Ca 0.12 -1.14 -0.26 0.00 -0.22 0.00 0.00 54.13 52.63 2p49 s LEU 81 Cb -0.10 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.77 2p49 s LEU 81 CO 0.06 -0.32 0.86 -1.58 -1.32 0.00 0.00 176.35 174.04 2p49 s GLN 82 N 1.68 4.33 -0.30 1.98 2.00 0.04 -1.14 119.66 128.25 2p49 s GLN 82 Ca 0.01 1.08 0.02 0.00 -2.00 0.00 0.00 55.36 54.47 2p49 s GLN 82 Cb -0.18 -3.56 0.07 0.00 0.80 0.00 0.00 33.01 30.15 2p49 s GLN 82 CO -0.12 -0.30 -0.03 -1.64 -0.50 0.00 0.00 175.29 172.70 2p49 s MET 83 N 2.02 2.05 0.29 1.67 -1.94 0.38 -0.85 119.30 122.92 2p49 s MET 83 Ca 0.40 -1.51 0.07 0.00 -1.71 0.00 0.00 55.69 52.95 2p49 s MET 83 Cb -0.17 -3.07 -0.03 0.00 2.01 0.00 0.00 34.83 33.57 2p49 s MET 83 CO 0.14 -0.71 0.20 -0.51 -0.01 0.00 0.00 175.02 174.13 2p49 s ASP 84 N 1.12 5.30 -1.43 3.03 -0.00 -0.76 -1.43 116.67 122.49 2p49 s ASP 84 Ca -0.02 -0.40 -0.08 0.00 -0.00 0.00 0.00 52.55 52.05 2p49 s ASP 84 Cb -0.20 -1.17 0.05 0.00 -0.00 0.00 0.00 42.92 41.60 2p49 s ASP 84 CO -0.05 -0.15 0.85 -1.20 -0.00 0.00 0.00 175.17 174.62 2p49 n SER 85 N -1.21 -3.17 -4.76 0.27 7.64 -1.14 -4.68 113.62 106.56 2p49 n SER 85 Ca -0.05 -0.80 -0.39 0.00 1.01 0.00 0.00 58.87 58.63 2p49 n SER 85 Cb 0.59 -3.94 0.02 0.00 -1.01 0.00 0.00 64.21 59.87 2p49 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2p49 s LEU 86 N -7.03 4.03 0.16 -3.43 1.43 -0.86 -4.67 118.68 108.32 2p49 s LEU 86 Ca 0.37 2.79 0.10 0.00 -1.03 0.00 0.00 54.13 56.36 2p49 s LEU 86 Cb -0.18 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 2p49 s LEU 86 CO 0.82 -1.25 -0.23 -0.54 0.23 0.00 0.00 176.35 175.39 2p49 s LYS 87 N -2.59 1.37 0.39 1.70 1.02 -1.26 -0.10 119.74 120.26 2p49 s LYS 87 Ca 0.64 -1.40 0.14 0.00 0.02 0.00 0.00 55.97 55.37 2p49 s LYS 87 Cb -0.41 -1.64 0.97 0.00 -0.52 0.00 0.00 37.83 36.23 2p49 s LYS 87 CO 0.51 0.36 1.84 -1.35 -0.92 0.00 0.00 175.35 175.79 2p49 h PRO 88 N 3.48 0.51 0.00 -1.68 0.11 -1.90 0.78 132.00 133.30 2p49 h PRO 88 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2p49 h PRO 88 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2p49 h PRO 88 CO 0.46 0.34 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 2p49 n GLU 89 N -4.57 0.15 0.00 1.05 0.00 -1.26 -1.45 120.64 114.56 2p49 n GLU 89 Ca 0.20 0.14 0.13 0.00 0.00 0.00 0.00 57.16 57.62 2p49 n GLU 89 Cb 0.63 -1.50 0.66 0.00 0.00 0.00 0.00 31.44 31.23 2p49 n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2p49 n ASP 90 N -1.39 0.00 -4.69 -1.84 8.00 0.27 -4.85 116.55 112.05 2p49 n ASP 90 Ca 0.07 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.13 2p49 n ASP 90 Cb 0.19 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 40.93 2p49 n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2p49 n THR 91 N -1.32 0.20 0.00 -3.53 -1.04 -0.53 -4.86 114.28 103.19 2p49 n THR 91 Ca 0.12 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2p49 n THR 91 Cb 0.23 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 2p49 n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2p49 n ALA 92 N 4.71 0.00 -2.68 2.41 0.00 -0.51 -4.30 120.51 120.14 2p49 n ALA 92 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 2p49 n ALA 92 Cb 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 2p49 n ALA 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2p49 s THR 93 N -2.00 4.88 -0.12 0.00 2.01 -0.76 -1.05 115.64 118.61 2p49 s THR 93 Ca 0.00 1.69 -0.06 0.00 0.31 0.00 0.00 61.69 63.64 2p49 s THR 93 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2p49 s THR 93 CO 0.00 0.05 0.09 -0.31 -0.69 0.00 0.00 174.62 173.76 2p49 s TYR 94 N 1.96 3.43 -0.08 4.92 1.51 -0.15 -0.61 117.35 128.34 2p49 s TYR 94 Ca 0.40 0.37 0.03 0.00 -1.01 0.00 0.00 57.07 56.86 2p49 s TYR 94 Cb -0.17 -1.93 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 2p49 s TYR 94 CO 0.14 0.57 -0.16 0.71 -1.11 0.00 0.00 175.55 175.70 2p49 s TYR 95 N -0.72 1.79 0.38 2.71 1.51 0.23 -0.36 117.35 122.88 2p49 s TYR 95 Ca 0.13 -0.69 -0.24 0.00 -1.01 0.00 0.00 57.07 55.25 2p49 s TYR 95 Cb -0.12 -1.26 -0.09 0.00 -0.11 0.00 0.00 41.96 40.38 2p49 s TYR 95 CO 0.03 -0.32 1.02 0.00 -1.11 0.00 0.00 175.55 175.16 2p49 s ALA 97 N -1.68 0.04 -0.02 0.00 0.00 -0.15 -0.58 121.76 119.37 2p49 s ALA 97 Ca 0.56 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 2p49 s ALA 97 Cb -0.20 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2p49 s ALA 97 CO 0.26 -0.17 0.09 0.00 0.00 0.00 0.00 175.76 175.94 2p49 s ALA 98 N -1.47 -0.21 0.00 0.00 0.00 -0.16 -1.43 121.76 118.49 2p49 s ALA 98 Ca -0.16 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2p49 s ALA 98 Cb -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2p49 s ALA 98 CO -0.01 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2p49 n GLY 99 N 2.56 0.92 0.00 0.00 0.00 -0.55 -2.87 105.19 105.25 2p49 n GLY 99 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2p49 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p49 n GLY 100 N -2.15 3.15 2.92 -0.02 0.00 -1.25 -4.63 105.19 103.21 2p49 n GLY 100 Ca 0.00 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 2p49 n GLY 100 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p49 s TYR 101 N 3.48 -0.27 0.00 1.61 5.04 -1.26 -4.29 117.35 121.66 2p49 s TYR 101 Ca 0.00 0.73 0.00 0.00 -2.44 0.00 0.00 57.07 55.36 2p49 s TYR 101 Cb 0.00 -0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.17 2p49 s TYR 101 CO 0.00 -0.28 0.00 0.39 -1.34 0.00 0.00 175.55 174.32 2p49 n GLU 102 N 5.11 0.00 -0.72 4.97 1.02 -1.26 -2.28 120.64 127.48 2p49 n GLU 102 Ca -0.09 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.12 2p49 n GLU 102 Cb 0.50 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 32.27 2p49 n GLU 102 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2p49 n LEU 103 N 0.00 5.00 -4.45 -4.62 4.77 -1.26 -4.78 117.00 111.66 2p49 n LEU 103 Ca 0.00 -2.96 -0.43 0.00 -0.03 0.00 0.00 56.01 52.59 2p49 n LEU 103 Cb 0.00 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.42 2p49 n LEU 103 CO 0.00 0.65 0.68 -0.13 -1.33 0.00 0.00 177.39 177.26 2p49 s ARG 104 N -2.78 3.12 0.22 3.23 0.52 -0.97 -4.30 118.95 118.00 2p49 s ARG 104 Ca 0.50 -0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 54.76 2p49 s ARG 104 Cb 0.39 -4.21 0.32 0.00 0.52 0.00 0.00 34.95 31.97 2p49 s ARG 104 CO 0.13 -1.71 1.67 0.22 0.02 0.00 0.00 175.30 175.63 2p49 h ASP 105 N 9.46 -0.19 0.20 0.23 3.58 -1.91 -1.08 116.42 126.71 2p49 h ASP 105 Ca -0.29 0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 2p49 h ASP 105 Cb 1.07 0.24 -0.00 0.00 1.72 0.00 0.00 39.33 42.37 2p49 h ASP 105 CO 1.15 -0.09 -0.00 0.03 -2.88 0.00 0.00 179.24 177.45 2p49 h ARG 106 N 0.16 0.00 -0.00 0.28 3.08 -1.97 -2.51 114.38 113.42 2p49 h ARG 106 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2p49 h ARG 106 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2p49 h ARG 106 CO -0.51 0.00 -0.18 0.25 -1.07 0.00 0.00 179.97 178.46 2p49 n THR 107 N -3.11 0.00 -3.57 2.04 -2.24 -0.41 -4.83 114.28 102.16 2p49 n THR 107 Ca -0.02 -0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 2p49 n THR 107 Cb 0.12 -0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.06 2p49 n THR 107 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2p49 s TYR 108 N -2.99 3.50 -0.51 4.78 1.51 -0.95 -3.74 117.35 118.96 2p49 s TYR 108 Ca 0.13 0.63 0.09 0.00 -1.01 0.00 0.00 57.07 56.91 2p49 s TYR 108 Cb 0.18 -2.29 -0.08 0.00 -0.11 0.00 0.00 41.96 39.66 2p49 s TYR 108 CO 0.59 0.33 0.43 0.41 -1.11 0.00 0.00 175.55 176.20 2p49 n GLY 109 N 3.09 0.09 3.19 0.71 0.00 -1.23 -4.93 105.19 106.12 2p49 n GLY 109 Ca -0.13 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 2p49 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p49 s GLN 110 N -1.77 2.85 -0.01 1.61 -1.52 -1.14 -5.02 119.66 114.66 2p49 s GLN 110 Ca 0.04 -0.82 0.02 0.00 -1.95 0.00 0.00 55.36 52.65 2p49 s GLN 110 Cb 0.07 -2.17 0.00 0.00 -0.22 0.00 0.00 33.01 30.69 2p49 s GLN 110 CO 0.35 0.17 -0.06 -1.58 -0.25 0.00 0.00 175.29 173.92 2p49 s TRP 111 N 0.37 0.61 0.92 0.91 0.52 -1.26 -0.99 118.94 120.01 2p49 s TRP 111 Ca -0.18 -0.12 -0.12 0.00 0.02 0.00 0.00 56.10 55.70 2p49 s TRP 111 Cb -0.18 -0.43 0.14 0.00 -1.15 0.00 0.00 33.47 31.85 2p49 s TRP 111 CO 0.08 -0.05 1.09 0.20 0.02 0.00 0.00 176.95 178.30 2p49 s GLY 112 N 0.09 1.60 0.48 0.98 0.00 0.26 -4.70 107.32 106.03 2p49 s GLY 112 Ca -0.01 -0.14 0.29 0.00 0.00 0.00 0.00 44.72 44.86 2p49 s GLY 112 CO -0.00 0.37 1.82 1.46 0.00 0.00 0.00 173.10 176.75 2p49 h GLN 113 N -1.62 0.00 0.00 2.90 1.08 -1.90 -3.44 115.11 112.14 2p49 h GLN 113 Ca -0.51 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 2p49 h GLN 113 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 2p49 h GLN 113 CO 0.55 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.84 2p49 n GLY 114 N 0.48 2.77 3.01 3.46 0.00 -1.26 -5.05 105.19 108.61 2p49 n GLY 114 Ca 0.02 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 2p49 n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p49 s THR 115 N -0.44 1.31 0.20 2.61 2.01 0.51 -4.92 115.64 116.93 2p49 s THR 115 Ca 0.00 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 2p49 s THR 115 Cb 0.00 -1.23 -0.09 0.00 0.01 0.00 0.00 72.50 71.20 2p49 s THR 115 CO 0.00 0.41 1.26 -1.58 -0.69 0.00 0.00 174.62 174.01 2p49 s GLN 116 N 1.16 4.44 -0.14 4.92 2.00 -1.26 -0.98 119.66 129.80 2p49 s GLN 116 Ca -0.04 1.98 0.02 0.00 -2.00 0.00 0.00 55.36 55.32 2p49 s GLN 116 Cb -0.14 -3.20 0.01 0.00 0.80 0.00 0.00 33.01 30.48 2p49 s GLN 116 CO -0.03 -0.17 -0.19 0.08 -0.50 0.00 0.00 175.29 174.48 2p49 s VAL 117 N -0.08 1.88 -0.12 1.34 1.01 -0.21 -0.99 120.40 123.23 2p49 s VAL 117 Ca 0.54 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2p49 s VAL 117 Cb -0.35 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.36 2p49 s VAL 117 CO 0.39 0.51 -0.14 -0.89 0.00 0.00 0.00 175.10 174.97 2p49 s THR 118 N 0.98 1.44 -0.31 3.92 2.01 -0.59 -1.42 115.64 121.67 2p49 s THR 118 Ca -0.04 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 2p49 s THR 118 Cb -0.15 -1.35 0.03 0.00 0.01 0.00 0.00 72.50 71.05 2p49 s THR 118 CO -0.04 0.43 0.06 -0.69 -0.69 0.00 0.00 174.62 173.69 2p49 s VAL 119 N 1.26 3.57 0.28 3.82 1.01 -1.26 -1.08 120.40 128.01 2p49 s VAL 119 Ca -0.01 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 2p49 s VAL 119 Cb -0.14 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2p49 s VAL 119 CO -0.06 -0.06 0.51 -0.94 0.00 0.00 0.00 175.10 174.56 2p49 s SER 120 N 1.39 6.39 0.00 3.32 1.04 -0.37 -4.38 113.70 121.09 2p49 s SER 120 Ca -0.01 0.57 0.19 0.00 0.48 0.00 0.00 55.95 57.18 2p49 s SER 120 Cb -0.19 -2.08 0.15 0.00 0.10 0.00 0.00 66.02 64.00 2p49 s SER 120 CO 0.01 -0.19 1.11 -1.20 0.98 0.00 0.00 173.24 173.96