#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p43 h SER 0 N 0.00 0.00 -2.82 1.61 4.64 -1.99 -3.43 113.55 111.56 2p43 h SER 0 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 2p43 h SER 0 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 2p43 h SER 0 CO 0.00 0.00 -0.51 -1.10 -0.87 0.00 0.00 176.83 174.35 2p43 s GLN 1 N -3.22 3.34 0.06 4.77 -1.52 -1.26 -5.05 119.66 116.78 2p43 s GLN 1 Ca 0.07 -0.26 -0.31 0.00 -1.95 0.00 0.00 55.36 52.92 2p43 s GLN 1 Cb 0.06 -3.08 -0.06 0.00 -0.22 0.00 0.00 33.01 29.72 2p43 s GLN 1 CO 0.65 0.73 1.27 0.08 -0.25 0.00 0.00 175.29 177.76 2p43 s VAL 2 N -1.11 3.81 -0.07 1.09 1.01 -1.26 -4.30 120.40 119.57 2p43 s VAL 2 Ca 0.19 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.47 2p43 s VAL 2 Cb -0.12 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.45 2p43 s VAL 2 CO 0.09 0.08 -0.09 -1.10 0.00 0.00 0.00 175.10 174.08 2p43 s GLN 3 N 1.27 1.46 -0.49 2.72 -0.21 -0.57 -4.99 119.66 118.86 2p43 s GLN 3 Ca 0.61 -0.31 -0.17 0.00 0.02 0.00 0.00 55.36 55.51 2p43 s GLN 3 Cb -0.31 -1.32 0.07 0.00 1.00 0.00 0.00 33.01 32.45 2p43 s GLN 3 CO 0.29 -0.06 0.50 -0.51 -2.12 0.00 0.00 175.29 173.39 2p43 s LEU 4 N 0.95 5.31 -0.40 2.90 1.43 -1.26 -1.39 118.68 126.22 2p43 s LEU 4 Ca -0.10 -1.13 -0.20 0.00 -1.03 0.00 0.00 54.13 51.68 2p43 s LEU 4 Cb -0.15 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.78 2p43 s LEU 4 CO 0.00 -0.76 0.60 -0.69 0.23 0.00 0.00 176.35 175.74 2p43 s VAL 5 N 2.11 4.90 -0.10 -1.59 1.01 -0.77 -4.49 120.40 121.46 2p43 s VAL 5 Ca 0.09 0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 2p43 s VAL 5 Cb -0.22 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2p43 s VAL 5 CO 0.09 -0.43 0.16 -1.61 0.00 0.00 0.00 175.10 173.31 2p43 s GLU 6 N 2.67 3.47 0.10 2.72 2.02 -1.26 -1.94 118.70 126.48 2p43 s GLU 6 Ca 0.22 -0.10 -0.06 0.00 0.02 0.00 0.00 54.97 55.04 2p43 s GLU 6 Cb -0.15 -3.19 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 2p43 s GLU 6 CO 0.16 0.77 0.15 -1.54 0.02 0.00 0.00 175.26 174.82 2p43 s SER 7 N -1.09 0.21 0.00 -0.19 1.04 -0.07 -4.98 113.70 108.62 2p43 s SER 7 Ca 0.16 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2p43 s SER 7 Cb -0.12 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2p43 s SER 7 CO 0.06 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2p43 n GLY 8 N -0.06 0.52 0.00 7.32 0.00 -1.26 -0.82 105.19 110.88 2p43 n GLY 8 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2p43 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p43 n GLY 9 N -1.45 0.47 0.00 -0.02 0.00 -1.26 -4.15 105.19 98.78 2p43 n GLY 9 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2p43 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p43 n GLY 10 N 4.53 -0.79 3.76 -0.02 0.00 0.56 -4.98 105.19 108.26 2p43 n GLY 10 Ca 0.00 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 2p43 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2p43 s LEU 11 N 0.00 4.43 0.03 0.99 2.96 -1.26 -1.72 118.68 124.11 2p43 s LEU 11 Ca 0.00 1.24 -0.18 0.00 -0.22 0.00 0.00 54.13 54.98 2p43 s LEU 11 Cb 0.00 -3.00 0.03 0.00 0.50 0.00 0.00 46.19 43.72 2p43 s LEU 11 CO 0.00 0.10 0.39 0.54 -1.32 0.00 0.00 176.35 176.06 2p43 s VAL 12 N -0.24 0.06 0.42 1.68 0.11 -0.16 -4.94 120.40 117.33 2p43 s VAL 12 Ca 0.33 -0.47 -0.20 0.00 -2.93 0.00 0.00 61.98 58.71 2p43 s VAL 12 Cb -0.19 -0.89 -0.10 0.00 -1.53 0.00 0.00 36.38 33.66 2p43 s VAL 12 CO 0.19 -0.26 0.92 -1.10 -3.33 0.00 0.00 175.10 171.52 2p43 s GLN 13 N -2.21 4.16 0.33 1.54 1.11 -1.26 -1.33 119.66 122.00 2p43 s GLN 13 Ca -0.07 1.03 -0.27 0.00 0.01 0.00 0.00 55.36 56.06 2p43 s GLN 13 Cb -0.02 -2.22 -0.13 0.00 -1.01 0.00 0.00 33.01 29.64 2p43 s GLN 13 CO -0.01 -0.02 1.02 0.00 0.01 0.00 0.00 175.29 176.30 2p43 n ALA 14 N -0.69 -0.00 0.00 6.09 0.00 0.82 -1.54 120.51 125.19 2p43 n ALA 14 Ca 0.06 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2p43 n ALA 14 Cb 0.54 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.94 2p43 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p43 n GLY 15 N 1.18 1.95 1.79 0.00 0.00 0.29 -4.95 105.19 105.45 2p43 n GLY 15 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2p43 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p43 n GLY 16 N -2.00 -0.10 3.15 -0.02 0.00 -0.59 -4.13 105.19 101.50 2p43 n GLY 16 Ca 0.00 -1.87 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 2p43 n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2p43 s SER 17 N -3.03 1.51 0.04 1.61 0.01 -1.26 -2.07 113.70 110.51 2p43 s SER 17 Ca 0.32 -0.62 -0.03 0.00 1.31 0.00 0.00 55.95 56.93 2p43 s SER 17 Cb -0.01 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 2p43 s SER 17 CO 0.22 -0.12 0.04 -0.76 0.41 0.00 0.00 173.24 173.04 2p43 s LEU 18 N -1.78 2.06 -0.12 2.44 1.43 -1.26 -5.03 118.68 116.43 2p43 s LEU 18 Ca -0.03 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 2p43 s LEU 18 Cb -0.09 0.42 0.01 0.00 0.03 0.00 0.00 46.19 46.55 2p43 s LEU 18 CO 0.02 -0.51 -0.21 -0.60 0.23 0.00 0.00 176.35 175.28 2p43 s ARG 19 N -2.82 2.86 -0.03 1.70 3.52 -1.26 -4.56 118.95 118.35 2p43 s ARG 19 Ca -0.03 -0.80 -0.07 0.00 -0.13 0.00 0.00 55.73 54.69 2p43 s ARG 19 Cb 0.00 -2.25 -0.05 0.00 -1.56 0.00 0.00 34.95 31.09 2p43 s ARG 19 CO -0.06 0.06 0.24 -0.51 -0.81 0.00 0.00 175.30 174.22 2p43 s LEU 20 N 0.64 4.39 0.07 -0.88 1.43 0.26 -4.17 118.68 120.41 2p43 s LEU 20 Ca -0.12 0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 2p43 s LEU 20 Cb -0.16 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 2p43 s LEU 20 CO 0.03 0.30 -0.15 -0.94 0.23 0.00 0.00 176.35 175.82 2p43 s SER 21 N -1.48 1.75 -0.10 2.29 1.04 -0.00 -1.19 113.70 116.01 2p43 s SER 21 Ca 0.24 -0.61 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 2p43 s SER 21 Cb -0.13 -0.06 0.05 0.00 0.10 0.00 0.00 66.02 65.98 2p43 s SER 21 CO 0.13 -0.05 0.22 0.00 0.98 0.00 0.00 173.24 174.51 2p43 s ALA 23 N 1.73 2.19 0.01 0.00 0.00 -0.82 -1.35 121.76 123.53 2p43 s ALA 23 Ca -0.04 -1.09 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 2p43 s ALA 23 Cb -0.11 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 2p43 s ALA 23 CO -0.08 -0.17 0.72 0.00 0.00 0.00 0.00 175.76 176.23 2p43 s ALA 24 N 1.05 3.38 0.25 0.00 0.00 -0.12 -1.85 121.76 124.47 2p43 s ALA 24 Ca -0.02 0.20 0.12 0.00 0.00 0.00 0.00 51.96 52.26 2p43 s ALA 24 Cb -0.14 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 2p43 s ALA 24 CO -0.06 0.05 -0.20 -1.54 0.00 0.00 0.00 175.76 174.00 2p43 s SER 25 N 0.10 3.60 0.00 0.00 1.04 -0.49 -4.80 113.70 113.16 2p43 s SER 25 Ca 0.37 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2p43 s SER 25 Cb -0.19 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.60 2p43 s SER 25 CO 0.21 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.11 2p43 n GLY 26 N -0.30 0.55 3.30 7.32 0.00 -1.26 -1.51 105.19 113.28 2p43 n GLY 26 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2p43 n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p43 s TYR 27 N -2.27 2.85 -0.88 1.61 5.04 -1.26 -4.44 117.35 118.00 2p43 s TYR 27 Ca 0.00 -0.95 0.26 0.00 -2.44 0.00 0.00 57.07 53.95 2p43 s TYR 27 Cb 0.00 -1.94 0.77 0.00 0.35 0.00 0.00 41.96 41.13 2p43 s TYR 27 CO 0.00 -0.45 1.63 0.00 -1.34 0.00 0.00 175.55 175.39 2p43 n ALA 28 N 4.17 2.80 -3.41 3.97 0.00 -1.26 -4.87 120.51 121.91 2p43 n ALA 28 Ca -0.19 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2p43 n ALA 28 Cb 0.52 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2p43 n ALA 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2p43 n TYR 29 N -1.76 -0.61 -4.11 0.00 4.01 -1.26 -5.12 117.16 108.31 2p43 n TYR 29 Ca 0.06 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.45 2p43 n TYR 29 Cb 0.37 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.28 2p43 n TYR 29 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2p43 s THR 30 N 0.09 3.93 0.08 -0.72 2.01 -1.26 -4.91 115.64 114.87 2p43 s THR 30 Ca 0.00 -0.33 -0.31 0.00 0.31 0.00 0.00 61.69 61.37 2p43 s THR 30 Cb 0.00 -2.77 -0.08 0.00 0.01 0.00 0.00 72.50 69.66 2p43 s THR 30 CO 0.00 0.44 1.53 -0.31 -0.69 0.00 0.00 174.62 175.59 2p43 s TYR 31 N 0.92 2.81 0.01 4.92 2.02 -1.26 -4.94 117.35 121.83 2p43 s TYR 31 Ca 0.01 0.61 -0.25 0.00 -0.37 0.00 0.00 57.07 57.07 2p43 s TYR 31 Cb -0.14 -3.84 -0.18 0.00 -0.40 0.00 0.00 41.96 37.40 2p43 s TYR 31 CO 0.02 -3.18 1.39 0.82 -1.57 0.00 0.00 175.55 173.03 2p43 h ILE 32 N 4.56 1.17 -5.68 2.71 2.04 -1.93 -3.40 117.51 116.99 2p43 h ILE 32 Ca -0.41 -0.74 -0.58 0.00 1.00 0.00 0.00 64.86 64.12 2p43 h ILE 32 Cb 1.20 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 38.88 2p43 h ILE 32 CO 0.91 0.19 -0.30 -1.22 0.00 0.00 0.00 178.15 177.72 2p43 n TYR 33 N -4.96 -0.31 0.00 1.37 4.01 -1.26 -0.64 117.16 115.37 2p43 n TYR 33 Ca -0.08 -2.30 0.00 0.00 -0.16 0.00 0.00 57.90 55.35 2p43 n TYR 33 Cb 0.19 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 2p43 n TYR 33 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2p43 n GLY 35 N -1.39 -0.28 3.31 2.72 0.00 -0.63 -1.51 105.19 107.41 2p43 n GLY 35 Ca -0.05 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 2p43 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2p43 s TRP 36 N -2.00 2.62 0.32 1.61 0.52 0.55 -1.44 118.94 121.12 2p43 s TRP 36 Ca 0.00 -0.74 0.10 0.00 0.02 0.00 0.00 56.10 55.48 2p43 s TRP 36 Cb 0.00 -1.71 -0.06 0.00 -1.15 0.00 0.00 33.47 30.55 2p43 s TRP 36 CO 0.00 -0.24 -0.10 -0.06 0.02 0.00 0.00 176.95 176.57 2p43 s PHE 37 N 0.10 2.41 0.02 -1.98 0.40 -0.11 -0.55 117.98 118.26 2p43 s PHE 37 Ca -0.09 -0.42 -0.05 0.00 -0.60 0.00 0.00 56.93 55.77 2p43 s PHE 37 Cb -0.15 -1.26 -0.01 0.00 0.51 0.00 0.00 43.02 42.11 2p43 s PHE 37 CO 0.06 0.61 0.09 -0.98 0.70 0.00 0.00 175.22 175.70 2p43 s ARG 38 N -3.60 0.49 -0.27 0.44 1.70 -0.14 -0.34 118.95 117.23 2p43 s ARG 38 Ca 0.32 -0.56 0.02 0.00 -0.47 0.00 0.00 55.73 55.05 2p43 s ARG 38 Cb -0.01 0.19 0.07 0.00 -0.57 0.00 0.00 34.95 34.63 2p43 s ARG 38 CO 0.17 -0.11 -0.06 -1.14 -1.08 0.00 0.00 175.30 173.07 2p43 s GLN 39 N -1.80 1.86 0.40 3.89 0.74 -0.00 -0.96 119.66 123.78 2p43 s GLN 39 Ca -0.12 -1.30 -0.18 0.00 0.05 0.00 0.00 55.36 53.81 2p43 s GLN 39 Cb -0.06 -2.81 -0.10 0.00 1.10 0.00 0.00 33.01 31.15 2p43 s GLN 39 CO -0.01 -0.65 0.87 0.00 -0.55 0.00 0.00 175.29 174.95 2p43 s ALA 40 N 1.18 3.16 0.14 1.58 0.00 -1.26 -1.90 121.76 124.66 2p43 s ALA 40 Ca -0.04 0.22 -0.35 0.00 0.00 0.00 0.00 51.96 51.79 2p43 s ALA 40 Cb -0.19 -2.99 -0.15 0.00 0.00 0.00 0.00 23.12 19.79 2p43 s ALA 40 CO -0.07 0.17 1.40 -2.30 0.00 0.00 0.00 175.76 174.96 2p43 n PRO 41 N -0.65 1.57 -0.88 0.00 -0.02 -1.26 -1.41 135.00 132.35 2p43 n PRO 41 Ca 0.05 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2p43 n PRO 41 Cb 0.54 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2p43 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p43 n GLY 42 N 2.71 0.84 3.20 -1.23 0.00 -1.26 -5.02 105.19 104.43 2p43 n GLY 42 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 2p43 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p43 s LYS 43 N -0.12 0.90 0.73 1.61 -0.14 -0.50 -5.15 119.74 117.07 2p43 s LYS 43 Ca 0.00 -1.21 -0.11 0.00 -1.36 0.00 0.00 55.97 53.29 2p43 s LYS 43 Cb 0.00 -0.61 0.03 0.00 -1.68 0.00 0.00 37.83 35.57 2p43 s LYS 43 CO 0.00 0.10 1.08 -1.21 -0.76 0.00 0.00 175.35 174.56 2p43 s GLU 44 N -2.89 2.56 0.39 1.68 2.02 -1.26 -4.46 118.70 116.75 2p43 s GLU 44 Ca 0.07 1.11 -0.27 0.00 0.02 0.00 0.00 54.97 55.90 2p43 s GLU 44 Cb -0.03 -1.94 -0.10 0.00 0.10 0.00 0.00 34.13 32.16 2p43 s GLU 44 CO 0.01 -1.40 1.47 0.50 0.02 0.00 0.00 175.26 175.85 2p43 s ARG 45 N -4.86 4.02 0.03 1.61 3.52 -1.26 -4.60 118.95 117.41 2p43 s ARG 45 Ca 0.61 2.52 0.01 0.00 -0.13 0.00 0.00 55.73 58.74 2p43 s ARG 45 Cb -0.16 -2.90 -0.02 0.00 -1.56 0.00 0.00 34.95 30.31 2p43 s ARG 45 CO 0.54 -0.59 -0.05 -1.83 -0.81 0.00 0.00 175.30 172.56 2p43 s GLU 46 N -2.17 0.42 0.19 5.12 -1.05 -0.13 -4.97 118.70 116.10 2p43 s GLU 46 Ca 0.55 -0.70 -0.30 0.00 -0.15 0.00 0.00 54.97 54.36 2p43 s GLU 46 Cb -0.46 -0.07 -0.08 0.00 -0.44 0.00 0.00 34.13 33.08 2p43 s GLU 46 CO 0.61 -0.01 1.24 0.20 0.95 0.00 0.00 175.26 178.26 2p43 s GLY 47 N -1.58 2.59 -0.21 -3.83 0.00 -1.26 -0.97 107.32 102.07 2p43 s GLY 47 Ca -0.12 1.02 -0.08 0.00 0.00 0.00 0.00 44.72 45.53 2p43 s GLY 47 CO -0.01 1.94 -0.25 -0.62 0.00 0.00 0.00 173.10 174.16 2p43 n VAL 48 N 2.53 1.15 -3.56 1.40 0.31 0.28 -4.24 118.33 116.21 2p43 n VAL 48 Ca 0.05 -0.32 -0.16 0.00 -0.01 0.00 0.00 64.34 63.89 2p43 n VAL 48 Cb 0.44 -1.66 -0.06 0.00 -0.91 0.00 0.00 33.84 31.65 2p43 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2p43 s ALA 49 N -2.39 -1.79 0.36 3.52 0.00 -1.00 -0.74 121.76 119.73 2p43 s ALA 49 Ca -0.29 1.54 -0.02 0.00 0.00 0.00 0.00 51.96 53.19 2p43 s ALA 49 Cb 0.10 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2p43 s ALA 49 CO 0.39 -0.35 0.51 0.00 0.00 0.00 0.00 175.76 176.30 2p43 n ALA 50 N 1.41 -0.36 -2.58 0.00 0.00 -0.55 -0.33 120.51 118.10 2p43 n ALA 50 Ca -0.17 -1.67 -0.26 0.00 0.00 0.00 0.00 53.44 51.33 2p43 n ALA 50 Cb 0.56 1.35 -0.11 0.00 0.00 0.00 0.00 19.45 21.26 2p43 n ALA 50 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2p43 s ASP 52 N -3.24 3.42 0.52 0.00 1.47 -0.04 -1.72 116.67 117.07 2p43 s ASP 52 Ca 0.30 -1.40 0.33 0.00 1.18 0.00 0.00 52.55 52.96 2p43 s ASP 52 Cb -0.01 -0.21 1.42 0.00 -0.34 0.00 0.00 42.92 43.79 2p43 s ASP 52 CO 0.21 -0.54 1.98 0.77 0.68 0.00 0.00 175.17 178.27 2p43 h SER 53 N 1.84 0.00 -0.01 2.11 4.64 -1.09 0.13 113.55 121.18 2p43 h SER 53 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2p43 h SER 53 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2p43 h SER 53 CO 0.76 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 2p43 n GLY 54 N -0.11 -0.74 1.95 -0.77 0.00 -1.26 -4.90 105.19 99.37 2p43 n GLY 54 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2p43 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p43 n GLY 55 N 1.04 0.77 0.00 -0.02 0.00 0.47 -5.04 105.19 102.41 2p43 n GLY 55 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2p43 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p43 n GLY 56 N -2.33 3.05 2.41 -0.02 0.00 -1.25 -4.66 105.19 102.39 2p43 n GLY 56 Ca 0.00 -2.10 -0.16 0.00 0.00 0.00 0.00 46.02 43.76 2p43 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p43 n GLY 57 N 5.00 -0.39 3.71 -0.02 0.00 -1.26 -0.87 105.19 111.36 2p43 n GLY 57 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2p43 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p43 s THR 58 N -2.77 3.87 0.02 2.61 2.01 -1.26 -4.48 115.64 115.64 2p43 s THR 58 Ca 0.00 1.33 0.03 0.00 0.31 0.00 0.00 61.69 63.36 2p43 s THR 58 Cb 0.00 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 2p43 s THR 58 CO 0.00 0.09 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.17 2p43 s LEU 59 N 1.19 2.11 0.03 4.42 1.43 -0.70 -4.99 118.68 122.17 2p43 s LEU 59 Ca 0.60 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2p43 s LEU 59 Cb -0.31 -0.41 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 2p43 s LEU 59 CO 0.29 0.01 -0.13 -0.31 0.23 0.00 0.00 176.35 176.44 2p43 s TYR 60 N -0.63 1.18 0.42 0.29 2.02 -1.26 -1.48 117.35 117.89 2p43 s TYR 60 Ca -0.00 -0.33 -0.26 0.00 -0.37 0.00 0.00 57.07 56.11 2p43 s TYR 60 Cb -0.06 -0.71 -0.10 0.00 -0.40 0.00 0.00 41.96 40.69 2p43 s TYR 60 CO 0.00 0.02 1.37 0.00 -1.57 0.00 0.00 175.55 175.38 2p43 n ALA 61 N 2.07 1.78 -0.19 3.71 0.00 0.08 -4.87 120.51 123.09 2p43 n ALA 61 Ca -0.17 0.27 0.11 0.00 0.00 0.00 0.00 53.44 53.65 2p43 n ALA 61 Cb 0.55 -2.34 0.42 0.00 0.00 0.00 0.00 19.45 18.07 2p43 n ALA 61 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2p43 h ASP 62 N 2.33 0.56 0.76 0.00 1.82 -1.93 -1.74 116.42 118.22 2p43 h ASP 62 Ca -0.49 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 2p43 h ASP 62 Cb 1.27 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2p43 h ASP 62 CO 0.61 0.32 0.00 -1.54 -1.61 0.00 0.00 179.24 177.02 2p43 n SER 63 N -4.50 0.31 -0.10 2.28 3.41 -1.26 -2.92 113.62 110.83 2p43 n SER 63 Ca 0.13 0.56 0.02 0.00 -0.26 0.00 0.00 58.87 59.33 2p43 n SER 63 Cb 0.39 -0.63 -0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2p43 n SER 63 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2p43 n VAL 64 N -1.82 0.00 -1.71 -3.33 0.24 -0.68 -4.97 118.33 106.06 2p43 n VAL 64 Ca 0.04 -0.45 -0.43 0.00 -2.04 0.00 0.00 64.34 61.45 2p43 n VAL 64 Cb 0.24 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.64 2p43 n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2p43 n LYS 65 N -0.37 2.52 0.00 7.34 4.81 -1.05 -1.38 118.16 130.03 2p43 n LYS 65 Ca 0.02 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 2p43 n LYS 65 Cb 0.09 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.46 2p43 n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2p43 n GLY 66 N 3.11 2.08 0.02 3.14 0.00 -1.26 -4.80 105.19 107.48 2p43 n GLY 66 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 2p43 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p43 n ARG 67 N -2.00 1.97 -4.17 1.61 1.74 -0.48 -5.04 116.66 110.29 2p43 n ARG 67 Ca 0.00 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.76 2p43 n ARG 67 Cb 0.00 -1.10 -0.08 0.00 -1.02 0.00 0.00 32.46 30.26 2p43 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2p43 s PHE 68 N -2.10 3.23 -0.08 -1.55 2.99 -0.74 -1.47 117.98 118.25 2p43 s PHE 68 Ca -0.04 0.18 0.01 0.00 0.00 0.00 0.00 56.93 57.08 2p43 s PHE 68 Cb 0.01 -1.73 0.02 0.00 0.00 0.00 0.00 43.02 41.32 2p43 s PHE 68 CO 0.14 0.53 -0.09 0.99 -0.00 0.00 0.00 175.22 176.79 2p43 s THR 69 N -1.12 0.98 0.08 0.64 2.01 0.14 -4.86 115.64 113.50 2p43 s THR 69 Ca 0.21 -0.32 -0.07 0.00 0.31 0.00 0.00 61.69 61.81 2p43 s THR 69 Cb -0.12 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 2p43 s THR 69 CO 0.11 0.34 0.36 -0.51 -0.69 0.00 0.00 174.62 174.23 2p43 s ILE 70 N 1.22 5.17 -0.00 1.82 2.07 -1.26 -1.09 121.20 129.13 2p43 s ILE 70 Ca -0.05 0.25 -0.06 0.00 -1.41 0.00 0.00 60.65 59.39 2p43 s ILE 70 Cb -0.14 -3.62 0.00 0.00 0.13 0.00 0.00 42.46 38.83 2p43 s ILE 70 CO -0.02 0.24 0.11 -0.94 -1.91 0.00 0.00 174.94 172.42 2p43 s SER 71 N -1.93 0.03 -0.08 4.50 1.04 -0.57 -4.98 113.70 111.72 2p43 s SER 71 Ca 0.34 -0.17 0.12 0.00 0.48 0.00 0.00 55.95 56.71 2p43 s SER 71 Cb -0.13 0.20 0.20 0.00 0.10 0.00 0.00 66.02 66.39 2p43 s SER 71 CO 0.19 -0.31 1.10 0.54 0.98 0.00 0.00 173.24 175.74 2p43 n ARG 72 N 1.71 0.76 -0.40 4.02 1.74 -1.26 -0.97 116.66 122.25 2p43 n ARG 72 Ca -0.21 -2.01 0.08 0.00 -0.77 0.00 0.00 57.85 54.93 2p43 n ARG 72 Cb 0.56 -1.06 0.27 0.00 -1.02 0.00 0.00 32.46 31.21 2p43 n ARG 72 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2p43 n ASP 73 N -0.78 3.49 -1.54 0.55 3.85 -1.26 -4.37 116.55 116.49 2p43 n ASP 73 Ca 0.10 -2.18 -0.14 0.00 -0.71 0.00 0.00 54.79 51.86 2p43 n ASP 73 Cb 0.69 -0.45 0.09 0.00 -1.35 0.00 0.00 41.12 40.11 2p43 n ASP 73 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2p43 n LYS 74 N 1.02 2.82 0.00 0.11 5.02 -1.26 -5.04 118.16 120.82 2p43 n LYS 74 Ca 0.20 -3.79 0.00 0.00 -2.02 0.00 0.00 58.31 52.70 2p43 n LYS 74 Cb 0.61 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2p43 n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2p43 n GLY 75 N -0.88 4.31 3.75 0.72 0.00 -1.26 -4.91 105.19 106.92 2p43 n GLY 75 Ca 0.37 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 2p43 n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2p43 s LYS 76 N -3.81 4.20 -1.67 1.61 2.20 -1.26 -2.56 119.74 118.44 2p43 s LYS 76 Ca 0.00 2.43 -0.16 0.00 -0.36 0.00 0.00 55.97 57.88 2p43 s LYS 76 Cb 0.00 -3.06 0.14 0.00 -1.51 0.00 0.00 37.83 33.40 2p43 s LYS 76 CO 0.00 -0.50 0.73 0.09 -0.36 0.00 0.00 175.35 175.31 2p43 n ASN 77 N 1.98 -2.86 -4.39 1.43 3.02 -1.26 -4.70 115.26 108.47 2p43 n ASN 77 Ca 0.06 -1.02 -0.30 0.00 -0.03 0.00 0.00 54.58 53.29 2p43 n ASN 77 Cb 0.39 -2.74 -0.14 0.00 -0.61 0.00 0.00 39.78 36.68 2p43 n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2p43 s THR 78 N -3.39 2.38 -0.04 3.41 -4.23 -1.06 -0.94 115.64 111.77 2p43 s THR 78 Ca 0.64 -1.43 -0.03 0.00 -1.18 0.00 0.00 61.69 59.70 2p43 s THR 78 Cb -0.35 -1.99 0.02 0.00 1.34 0.00 0.00 72.50 71.52 2p43 s THR 78 CO 0.93 0.28 0.09 0.54 -0.54 0.00 0.00 174.62 175.92 2p43 s VAL 79 N -0.92 -0.02 0.11 2.29 0.11 -0.45 -4.51 120.40 117.02 2p43 s VAL 79 Ca 0.13 0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.33 2p43 s VAL 79 Cb -0.10 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 2p43 s VAL 79 CO 0.04 0.02 -0.22 -0.31 -3.33 0.00 0.00 175.10 171.30 2p43 s TYR 80 N 0.38 1.94 -0.24 1.54 2.02 -0.15 -1.47 117.35 121.37 2p43 s TYR 80 Ca -0.03 -0.41 -0.00 0.00 -0.37 0.00 0.00 57.07 56.26 2p43 s TYR 80 Cb -0.04 -1.05 0.07 0.00 -0.40 0.00 0.00 41.96 40.54 2p43 s TYR 80 CO -0.01 0.25 0.00 -1.17 -1.57 0.00 0.00 175.55 173.05 2p43 s LEU 81 N -1.99 2.21 0.00 -1.29 2.96 -0.33 -1.51 118.68 118.73 2p43 s LEU 81 Ca 0.09 -1.18 -0.11 0.00 -0.22 0.00 0.00 54.13 52.71 2p43 s LEU 81 Cb -0.10 -0.98 0.19 0.00 0.50 0.00 0.00 46.19 45.81 2p43 s LEU 81 CO 0.05 -0.29 1.19 1.67 -1.32 0.00 0.00 176.35 177.65 2p43 n GLN 82 N 4.79 -0.86 0.00 1.98 -0.06 -0.25 -0.58 117.38 122.41 2p43 n GLN 82 Ca -0.09 -2.27 0.00 0.00 -2.00 0.00 0.00 57.00 52.64 2p43 n GLN 82 Cb 0.45 -1.10 0.00 0.00 -4.06 0.00 0.00 30.24 25.53 2p43 n GLN 82 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2p43 n ASP 84 N -3.51 0.00 -3.83 1.69 10.43 -0.54 -0.68 116.55 120.11 2p43 n ASP 84 Ca 0.16 0.00 -0.25 0.00 2.57 0.00 0.00 54.79 57.28 2p43 n ASP 84 Cb 0.57 0.00 0.02 0.00 1.84 0.00 0.00 41.12 43.55 2p43 n ASP 84 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2p43 n SER 85 N 0.00 -1.70 -4.77 -2.24 7.64 -1.15 -4.71 113.62 106.70 2p43 n SER 85 Ca 0.00 -0.87 -0.40 0.00 1.01 0.00 0.00 58.87 58.62 2p43 n SER 85 Cb 0.00 -3.72 -0.01 0.00 -1.01 0.00 0.00 64.21 59.47 2p43 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2p43 s LEU 86 N -6.89 4.30 0.19 -3.43 1.43 -0.88 -4.67 118.68 108.72 2p43 s LEU 86 Ca 0.16 2.62 0.10 0.00 -1.03 0.00 0.00 54.13 55.97 2p43 s LEU 86 Cb -0.08 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 2p43 s LEU 86 CO 0.84 -0.70 -0.13 -0.54 0.23 0.00 0.00 176.35 176.05 2p43 s LYS 87 N -2.07 1.92 0.37 1.70 1.02 -1.26 -0.55 119.74 120.87 2p43 s LYS 87 Ca 0.54 -1.34 0.13 0.00 0.02 0.00 0.00 55.97 55.32 2p43 s LYS 87 Cb -0.37 -2.07 0.95 0.00 -0.52 0.00 0.00 37.83 35.81 2p43 s LYS 87 CO 0.49 0.42 1.82 -1.35 -0.92 0.00 0.00 175.35 175.81 2p43 h PRO 88 N 2.98 0.53 0.00 -1.68 0.11 -1.89 0.25 132.00 132.30 2p43 h PRO 88 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2p43 h PRO 88 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2p43 h PRO 88 CO 0.53 0.35 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 2p43 n GLU 89 N -4.60 0.22 0.00 1.05 0.00 -1.26 -1.28 120.64 114.77 2p43 n GLU 89 Ca 0.21 0.12 0.14 0.00 0.00 0.00 0.00 57.16 57.63 2p43 n GLU 89 Cb 0.66 -1.50 0.71 0.00 0.00 0.00 0.00 31.44 31.31 2p43 n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2p43 n ASP 90 N -1.32 0.00 -4.69 -1.84 8.00 0.08 -4.85 116.55 111.92 2p43 n ASP 90 Ca 0.08 -0.06 -0.44 0.00 0.71 0.00 0.00 54.79 55.08 2p43 n ASP 90 Cb 0.16 -0.31 -0.04 0.00 -0.02 0.00 0.00 41.12 40.92 2p43 n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2p43 n THR 91 N -1.31 0.11 0.00 -3.53 -1.04 -0.40 -4.88 114.28 103.22 2p43 n THR 91 Ca 0.13 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 2p43 n THR 91 Cb 0.24 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 2p43 n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2p43 n ALA 92 N 4.26 0.00 -2.66 2.41 0.00 -0.60 -4.36 120.51 119.57 2p43 n ALA 92 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 2p43 n ALA 92 Cb 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.73 2p43 n ALA 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2p43 s THR 93 N -2.00 4.93 -0.12 0.00 2.01 -0.80 -1.12 115.64 118.54 2p43 s THR 93 Ca 0.00 1.42 -0.12 0.00 0.31 0.00 0.00 61.69 63.30 2p43 s THR 93 Cb 0.00 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 2p43 s THR 93 CO 0.00 0.03 0.27 -0.31 -0.69 0.00 0.00 174.62 173.91 2p43 s TYR 94 N 2.28 3.55 -0.07 4.92 1.51 -0.25 -0.82 117.35 128.46 2p43 s TYR 94 Ca 0.33 0.64 0.05 0.00 -1.01 0.00 0.00 57.07 57.08 2p43 s TYR 94 Cb -0.16 -2.21 -0.00 0.00 -0.11 0.00 0.00 41.96 39.48 2p43 s TYR 94 CO 0.10 0.46 -0.23 0.71 -1.11 0.00 0.00 175.55 175.48 2p43 s TYR 95 N -0.27 2.35 0.37 2.71 1.51 0.54 -0.92 117.35 123.64 2p43 s TYR 95 Ca 0.17 -0.81 -0.24 0.00 -1.01 0.00 0.00 57.07 55.17 2p43 s TYR 95 Cb -0.13 -1.56 -0.10 0.00 -0.11 0.00 0.00 41.96 40.06 2p43 s TYR 95 CO 0.05 -0.29 0.97 0.00 -1.11 0.00 0.00 175.55 175.17 2p43 s ALA 97 N -1.78 -0.02 0.01 0.00 0.00 -0.52 -0.47 121.76 118.97 2p43 s ALA 97 Ca 0.55 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.06 2p43 s ALA 97 Cb -0.17 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2p43 s ALA 97 CO 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 175.76 175.80 2p43 s ALA 98 N -1.43 0.02 0.00 0.00 0.00 -0.15 -1.61 121.76 118.59 2p43 s ALA 98 Ca -0.16 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2p43 s ALA 98 Cb -0.09 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2p43 s ALA 98 CO -0.00 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2p43 n GLY 99 N 2.16 0.91 0.00 0.00 0.00 -0.57 -2.85 105.19 104.85 2p43 n GLY 99 Ca -0.19 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2p43 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p43 n GLY 100 N -2.17 3.47 2.91 -0.02 0.00 -1.25 -4.64 105.19 103.48 2p43 n GLY 100 Ca 0.00 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 2p43 n GLY 100 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p43 s TYR 101 N 3.45 -0.21 0.00 1.61 5.04 -1.26 -4.33 117.35 121.65 2p43 s TYR 101 Ca 0.00 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 2p43 s TYR 101 Cb 0.00 -0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.18 2p43 s TYR 101 CO 0.00 -0.23 0.00 0.39 -1.34 0.00 0.00 175.55 174.37 2p43 n GLU 102 N 4.74 0.00 -0.88 4.97 1.02 -1.26 -2.29 120.64 126.94 2p43 n GLU 102 Ca -0.16 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.92 2p43 n GLU 102 Cb 0.51 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.17 2p43 n GLU 102 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2p43 n LEU 103 N 0.00 5.18 -4.46 -4.62 4.77 -1.26 -4.79 117.00 111.82 2p43 n LEU 103 Ca 0.00 -3.41 -0.43 0.00 -0.03 0.00 0.00 56.01 52.13 2p43 n LEU 103 Cb 0.00 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.34 2p43 n LEU 103 CO 0.00 0.96 0.42 -0.13 -1.33 0.00 0.00 177.39 177.31 2p43 s ARG 104 N -3.09 3.17 0.39 3.23 0.52 -0.97 -4.36 118.95 117.83 2p43 s ARG 104 Ca 0.50 -0.75 0.14 0.00 -0.52 0.00 0.00 55.73 55.10 2p43 s ARG 104 Cb 0.42 -4.08 0.79 0.00 0.52 0.00 0.00 34.95 32.59 2p43 s ARG 104 CO 0.08 -1.27 1.85 0.38 0.02 0.00 0.00 175.30 176.36 2p43 h ASP 105 N 9.06 0.00 0.26 0.23 2.03 -1.92 -1.72 116.42 124.36 2p43 h ASP 105 Ca -0.27 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.03 2p43 h ASP 105 Cb 1.09 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.59 2p43 h ASP 105 CO 0.99 0.34 -0.02 0.03 -1.03 0.00 0.00 179.24 179.55 2p43 h ARG 106 N 0.00 0.00 0.00 4.15 3.08 -1.97 -2.53 114.38 117.11 2p43 h ARG 106 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2p43 h ARG 106 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2p43 h ARG 106 CO 0.04 0.02 -0.35 0.25 -1.07 0.00 0.00 179.97 178.86 2p43 n THR 107 N -3.22 0.16 -3.34 2.04 -2.24 -0.64 -4.85 114.28 102.19 2p43 n THR 107 Ca -0.02 -0.10 -0.38 0.00 -2.27 0.00 0.00 64.05 61.27 2p43 n THR 107 Cb 0.14 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 2p43 n THR 107 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2p43 s TYR 108 N -3.05 3.62 -0.23 4.78 1.51 -0.95 -3.89 117.35 119.13 2p43 s TYR 108 Ca 0.10 1.00 0.09 0.00 -1.01 0.00 0.00 57.07 57.25 2p43 s TYR 108 Cb 0.16 -2.49 -0.12 0.00 -0.11 0.00 0.00 41.96 39.40 2p43 s TYR 108 CO 0.65 0.35 0.30 0.41 -1.11 0.00 0.00 175.55 176.15 2p43 n GLY 109 N 2.65 -0.12 3.32 0.71 0.00 -1.23 -4.92 105.19 105.60 2p43 n GLY 109 Ca -0.09 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 2p43 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p43 s GLN 110 N -2.23 3.30 -0.02 1.61 -1.52 -1.13 -5.02 119.66 114.65 2p43 s GLN 110 Ca 0.00 -0.72 0.03 0.00 -1.95 0.00 0.00 55.36 52.72 2p43 s GLN 110 Cb 0.06 -2.62 -0.00 0.00 -0.22 0.00 0.00 33.01 30.23 2p43 s GLN 110 CO 0.38 0.12 -0.10 -1.58 -0.25 0.00 0.00 175.29 173.86 2p43 s TRP 111 N 0.56 0.98 0.94 0.91 0.52 -1.26 -0.98 118.94 120.61 2p43 s TRP 111 Ca -0.09 -0.21 -0.11 0.00 0.02 0.00 0.00 56.10 55.70 2p43 s TRP 111 Cb -0.16 -0.66 0.16 0.00 -1.15 0.00 0.00 33.47 31.66 2p43 s TRP 111 CO 0.04 -0.06 1.09 0.20 0.02 0.00 0.00 176.95 178.24 2p43 s GLY 112 N -0.05 1.63 0.21 0.98 0.00 0.38 -4.68 107.32 105.78 2p43 s GLY 112 Ca 0.01 0.12 0.26 0.00 0.00 0.00 0.00 44.72 45.11 2p43 s GLY 112 CO 0.00 0.62 1.77 -1.06 0.00 0.00 0.00 173.10 174.44 2p43 n GLN 113 N -4.13 0.25 0.00 2.90 6.02 -1.26 -4.74 117.38 116.41 2p43 n GLN 113 Ca 0.08 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 2p43 n GLN 113 Cb 0.54 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 30.00 2p43 n GLN 113 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2p43 n GLY 114 N 1.17 2.73 3.05 1.08 0.00 -1.26 -5.05 105.19 106.91 2p43 n GLY 114 Ca 0.05 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 2p43 n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p43 s THR 115 N -0.63 1.40 0.16 2.61 2.01 -0.09 -4.93 115.64 116.17 2p43 s THR 115 Ca 0.00 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 2p43 s THR 115 Cb 0.00 -1.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.15 2p43 s THR 115 CO 0.00 0.42 1.24 -1.58 -0.69 0.00 0.00 174.62 174.01 2p43 s GLN 116 N 0.86 4.44 -0.15 4.92 2.00 -1.26 -1.09 119.66 129.37 2p43 s GLN 116 Ca -0.10 1.92 0.01 0.00 -2.00 0.00 0.00 55.36 55.20 2p43 s GLN 116 Cb -0.15 -3.25 0.02 0.00 0.80 0.00 0.00 33.01 30.43 2p43 s GLN 116 CO 0.01 -0.19 -0.19 0.08 -0.50 0.00 0.00 175.29 174.50 2p43 s VAL 117 N 0.27 1.90 -0.14 1.34 1.01 -0.27 -0.32 120.40 124.19 2p43 s VAL 117 Ca 0.56 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2p43 s VAL 117 Cb -0.33 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.34 2p43 s VAL 117 CO 0.35 0.52 -0.18 -0.89 0.00 0.00 0.00 175.10 174.90 2p43 s THR 118 N 1.12 1.78 -0.33 3.92 2.01 -0.70 -1.55 115.64 121.89 2p43 s THR 118 Ca -0.01 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 2p43 s THR 118 Cb -0.14 -1.61 0.04 0.00 0.01 0.00 0.00 72.50 70.80 2p43 s THR 118 CO -0.07 0.50 0.08 -0.69 -0.69 0.00 0.00 174.62 173.74 2p43 s VAL 119 N 1.10 3.61 0.24 3.82 1.01 -1.26 -0.99 120.40 127.93 2p43 s VAL 119 Ca -0.02 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.68 2p43 s VAL 119 Cb -0.14 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 2p43 s VAL 119 CO -0.06 -0.14 0.61 -0.94 0.00 0.00 0.00 175.10 174.57 2p43 s SER 120 N 1.37 6.72 0.00 3.32 1.04 -0.44 -4.38 113.70 121.33 2p43 s SER 120 Ca -0.02 1.06 0.29 0.00 0.48 0.00 0.00 55.95 57.76 2p43 s SER 120 Cb -0.19 -2.28 1.24 0.00 0.10 0.00 0.00 66.02 64.89 2p43 s SER 120 CO 0.02 -0.08 1.85 -1.20 0.98 0.00 0.00 173.24 174.82