#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ggw n VAL 2 N 0.00 1.26 -3.90 2.62 0.31 -1.26 -4.68 118.33 112.68 3ggw n VAL 2 Ca 0.00 -0.32 -0.16 0.00 -0.01 0.00 0.00 64.34 63.86 3ggw n VAL 2 Cb 0.00 -0.89 -0.16 0.00 -0.91 0.00 0.00 33.84 31.88 3ggw n VAL 2 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3ggw s LYS 3 N -0.75 0.20 -0.14 5.55 2.20 -0.74 -5.00 119.74 121.07 3ggw s LYS 3 Ca 0.68 0.07 0.02 0.00 -0.36 0.00 0.00 55.97 56.38 3ggw s LYS 3 Cb -0.80 -0.37 0.00 0.00 -1.51 0.00 0.00 37.83 35.16 3ggw s LYS 3 CO 0.54 -0.11 -0.20 0.08 -0.36 0.00 0.00 175.35 175.31 3ggw s VAL 4 N 0.83 2.29 -0.15 4.02 1.01 -1.26 -1.29 120.40 125.85 3ggw s VAL 4 Ca -0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 3ggw s VAL 4 Cb -0.11 -1.93 0.05 0.00 0.00 0.00 0.00 36.38 34.39 3ggw s VAL 4 CO -0.02 0.54 0.03 -0.70 0.00 0.00 0.00 175.10 174.95 3ggw s GLU 5 N 0.74 0.58 0.49 2.72 2.12 -0.61 -3.70 118.70 121.05 3ggw s GLU 5 Ca -0.08 -0.22 -0.06 0.00 0.36 0.00 0.00 54.97 54.97 3ggw s GLU 5 Cb -0.16 -1.72 -0.04 0.00 0.26 0.00 0.00 34.13 32.47 3ggw s GLU 5 CO 0.00 -0.54 0.81 -1.21 -0.54 0.00 0.00 175.26 173.79 3ggw s GLU 6 N 1.92 3.55 0.25 4.30 8.01 -1.26 -1.71 118.70 133.76 3ggw s GLU 6 Ca 0.01 0.26 -0.17 0.00 0.01 0.00 0.00 54.97 55.08 3ggw s GLU 6 Cb -0.15 -2.35 0.01 0.00 -4.31 0.00 0.00 34.13 27.33 3ggw s GLU 6 CO -0.07 -0.24 0.57 -1.54 0.01 0.00 0.00 175.26 174.00 3ggw s SER 7 N -4.09 -0.19 0.00 -0.19 1.04 0.09 -4.82 113.70 105.54 3ggw s SER 7 Ca 0.48 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3ggw s SER 7 Cb -0.10 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3ggw s SER 7 CO 0.45 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 174.09 3ggw n GLY 8 N -0.40 0.52 3.55 7.32 0.00 -1.26 -1.75 105.19 113.17 3ggw n GLY 8 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3ggw n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ggw s GLY 9 N -1.39 1.54 0.00 -0.02 0.00 -1.26 -4.69 107.32 101.49 3ggw s GLY 9 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3ggw s GLY 9 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.96 3ggw n GLY 10 N -0.21 0.20 3.71 0.20 0.00 -0.47 -4.95 105.19 103.68 3ggw n GLY 10 Ca 0.07 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 3ggw n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ggw s LEU 11 N 0.00 3.67 0.09 0.99 2.96 -1.26 -1.77 118.68 123.36 3ggw s LEU 11 Ca 0.00 0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.96 3ggw s LEU 11 Cb 0.00 -1.95 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 3ggw s LEU 11 CO 0.00 0.34 0.18 0.54 -1.32 0.00 0.00 176.35 176.09 3ggw s VAL 12 N -0.99 0.15 0.47 1.68 0.11 -0.56 -4.98 120.40 116.28 3ggw s VAL 12 Ca 0.16 -1.23 -0.18 0.00 -2.93 0.00 0.00 61.98 57.81 3ggw s VAL 12 Cb -0.12 -1.37 -0.09 0.00 -1.53 0.00 0.00 36.38 33.28 3ggw s VAL 12 CO 0.06 -0.66 0.95 -1.10 -3.33 0.00 0.00 175.10 171.02 3ggw s GLN 13 N -3.87 4.04 0.30 1.54 1.11 -1.25 -0.94 119.66 120.59 3ggw s GLN 13 Ca 0.05 0.98 -0.29 0.00 0.01 0.00 0.00 55.36 56.11 3ggw s GLN 13 Cb 0.05 -2.18 -0.13 0.00 -1.01 0.00 0.00 33.01 29.75 3ggw s GLN 13 CO -0.11 -0.16 1.38 -2.30 0.01 0.00 0.00 175.29 174.11 3ggw n PRO 14 N -1.19 2.18 0.00 2.91 -0.02 -1.26 -1.08 135.00 136.53 3ggw n PRO 14 Ca 0.06 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3ggw n PRO 14 Cb 0.54 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3ggw n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ggw n GLY 15 N 1.46 1.55 0.00 -1.23 0.00 0.11 -4.93 105.19 102.15 3ggw n GLY 15 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3ggw n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggw n GLY 16 N -2.00 -0.23 3.13 -0.02 0.00 -0.24 -4.00 105.19 101.83 3ggw n GLY 16 Ca 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 3ggw n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ggw s SER 17 N -1.00 0.97 0.03 1.61 0.01 -1.26 -1.63 113.70 112.43 3ggw s SER 17 Ca 0.00 -0.88 -0.05 0.00 1.31 0.00 0.00 55.95 56.33 3ggw s SER 17 Cb 0.00 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 3ggw s SER 17 CO 0.00 -0.41 0.08 -0.04 0.41 0.00 0.00 173.24 173.27 3ggw s MET 18 N -3.23 0.53 -0.12 12.44 -1.94 -0.11 -4.93 119.30 121.95 3ggw s MET 18 Ca 0.05 -0.70 -0.01 0.00 -1.71 0.00 0.00 55.69 53.32 3ggw s MET 18 Cb 0.01 0.21 0.03 0.00 2.01 0.00 0.00 34.83 37.09 3ggw s MET 18 CO -0.04 -0.12 -0.06 0.21 -0.01 0.00 0.00 175.02 175.00 3ggw s LYS 19 N -2.31 1.36 0.35 2.03 2.20 -1.26 -0.77 119.74 121.34 3ggw s LYS 19 Ca -0.08 -0.27 0.08 0.00 -0.36 0.00 0.00 55.97 55.35 3ggw s LYS 19 Cb -0.03 -1.61 -0.05 0.00 -1.51 0.00 0.00 37.83 34.63 3ggw s LYS 19 CO -0.03 -0.32 0.08 0.96 -0.36 0.00 0.00 175.35 175.68 3ggw s ILE 20 N 1.73 2.70 0.23 5.43 -4.36 -0.62 -4.77 121.20 121.55 3ggw s ILE 20 Ca 0.04 -1.84 -0.11 0.00 -0.26 0.00 0.00 60.65 58.47 3ggw s ILE 20 Cb -0.13 -2.89 -0.01 0.00 1.25 0.00 0.00 42.46 40.68 3ggw s ILE 20 CO -0.08 -0.16 0.42 -0.94 0.24 0.00 0.00 174.94 174.42 3ggw s SER 21 N -3.78 -0.06 0.00 4.36 1.04 -0.72 -0.85 113.70 113.70 3ggw s SER 21 Ca 0.37 -0.95 -0.08 0.00 0.48 0.00 0.00 55.95 55.76 3ggw s SER 21 Cb -0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3ggw s SER 21 CO 0.21 -1.08 0.16 0.00 0.98 0.00 0.00 173.24 173.51 3ggw s VAL 23 N -1.47 3.31 -0.13 0.00 0.11 -0.69 -1.09 120.40 120.45 3ggw s VAL 23 Ca -0.14 -0.60 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 3ggw s VAL 23 Cb -0.07 -2.36 -0.01 0.00 -1.53 0.00 0.00 36.38 32.42 3ggw s VAL 23 CO 0.02 0.56 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.48 3ggw s VAL 24 N -0.31 2.61 0.35 2.04 1.01 -0.79 -1.57 120.40 123.74 3ggw s VAL 24 Ca 0.03 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.29 3ggw s VAL 24 Cb -0.13 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.12 3ggw s VAL 24 CO 0.03 0.53 -0.07 -0.94 0.00 0.00 0.00 175.10 174.65 3ggw s SER 25 N 0.47 3.58 0.00 3.32 1.04 -0.41 -4.79 113.70 116.91 3ggw s SER 25 Ca -0.12 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.08 3ggw s SER 25 Cb -0.16 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.63 3ggw s SER 25 CO 0.05 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.61 3ggw n GLY 26 N -0.79 0.73 3.84 7.32 0.00 -1.26 -1.79 105.19 113.24 3ggw n GLY 26 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 3ggw n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ggw s LEU 27 N 0.00 0.00 -0.53 0.99 0.05 -1.26 -4.53 118.68 113.40 3ggw s LEU 27 Ca 0.00 -0.97 -0.19 0.00 0.05 0.00 0.00 54.13 53.02 3ggw s LEU 27 Cb 0.00 2.57 0.07 0.00 -2.05 0.00 0.00 46.19 46.77 3ggw s LEU 27 CO 0.00 -1.43 0.67 -0.89 -0.55 0.00 0.00 176.35 174.15 3ggw s THR 28 N -2.27 4.81 0.22 5.48 2.01 -1.26 -4.94 115.64 119.70 3ggw s THR 28 Ca 0.18 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 3ggw s THR 28 Cb -0.04 -4.37 0.17 0.00 0.01 0.00 0.00 72.50 68.27 3ggw s THR 28 CO 0.09 -0.91 1.74 0.15 -0.69 0.00 0.00 174.62 175.00 3ggw h PHE 29 N 9.07 0.45 0.00 4.92 3.57 -1.91 -2.40 116.94 130.65 3ggw h PHE 29 Ca -0.28 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3ggw h PHE 29 Cb 1.09 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3ggw h PHE 29 CO 0.79 0.10 0.10 0.66 -2.23 0.00 0.00 178.31 177.73 3ggw h SER 30 N 0.44 0.00 -0.46 0.41 4.64 -1.92 -2.37 113.55 114.29 3ggw h SER 30 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3ggw h SER 30 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3ggw h SER 30 CO -0.33 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.22 3ggw n ASN 31 N -2.27 3.12 -4.20 4.97 5.03 -0.90 -4.68 115.26 116.33 3ggw n ASN 31 Ca -0.01 -1.95 -0.27 0.00 0.87 0.00 0.00 54.58 53.21 3ggw n ASN 31 Cb 0.13 -0.30 -0.16 0.00 -1.02 0.00 0.00 39.78 38.43 3ggw n ASN 31 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3ggw s TYR 32 N -1.40 1.85 0.46 3.10 2.02 -0.89 -5.06 117.35 117.43 3ggw s TYR 32 Ca 0.39 -0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 56.44 3ggw s TYR 32 Cb 0.21 -1.21 -0.07 0.00 -0.40 0.00 0.00 41.96 40.50 3ggw s TYR 32 CO 0.29 -0.08 1.28 -1.58 -1.57 0.00 0.00 175.55 173.89 3ggw s TRP 33 N -0.33 2.68 0.02 2.71 0.52 -1.26 -4.81 118.94 118.46 3ggw s TRP 33 Ca 0.04 1.43 0.01 0.00 0.02 0.00 0.00 56.10 57.60 3ggw s TRP 33 Cb -0.09 -3.62 -0.01 0.00 -1.15 0.00 0.00 33.47 28.59 3ggw s TRP 33 CO 0.00 -2.16 -0.03 -1.64 0.02 0.00 0.00 176.95 173.14 3ggw s MET 34 N -2.58 0.28 0.10 4.98 -1.94 -0.65 -4.18 119.30 115.31 3ggw s MET 34 Ca 0.63 -0.44 -0.03 0.00 -1.71 0.00 0.00 55.69 54.15 3ggw s MET 34 Cb -0.36 -0.03 -0.03 0.00 2.01 0.00 0.00 34.83 36.42 3ggw s MET 34 CO 0.44 -0.01 0.07 -1.54 -0.01 0.00 0.00 175.02 173.98 3ggw s SER 35 N -0.98 0.32 -0.09 3.03 1.04 -0.54 -0.62 113.70 115.85 3ggw s SER 35 Ca -0.09 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.31 3ggw s SER 35 Cb -0.07 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 3ggw s SER 35 CO -0.00 -0.71 -0.13 0.26 0.98 0.00 0.00 173.24 173.64 3ggw s TRP 36 N -3.98 2.77 -0.09 5.02 0.52 -0.18 -1.16 118.94 121.84 3ggw s TRP 36 Ca 0.16 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.89 3ggw s TRP 36 Cb 0.07 -1.75 0.02 0.00 -1.15 0.00 0.00 33.47 30.66 3ggw s TRP 36 CO -0.04 -0.02 -0.10 0.08 0.02 0.00 0.00 176.95 176.90 3ggw s VAL 37 N -0.16 1.07 0.20 4.03 1.01 -0.06 -0.85 120.40 125.65 3ggw s VAL 37 Ca -0.00 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.65 3ggw s VAL 37 Cb -0.13 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3ggw s VAL 37 CO 0.03 0.36 0.19 0.00 0.00 0.00 0.00 175.10 175.68 3ggw s ARG 38 N 1.18 2.99 -0.05 2.72 1.70 0.11 -0.32 118.95 127.28 3ggw s ARG 38 Ca -0.05 -0.91 0.03 0.00 -0.47 0.00 0.00 55.73 54.32 3ggw s ARG 38 Cb -0.14 -2.65 0.01 0.00 -0.57 0.00 0.00 34.95 31.59 3ggw s ARG 38 CO -0.02 0.45 -0.11 -1.14 -1.08 0.00 0.00 175.30 173.40 3ggw s GLN 39 N -3.46 1.38 0.08 3.89 0.74 0.12 -0.58 119.66 121.83 3ggw s GLN 39 Ca 0.32 -0.37 -0.09 0.00 0.05 0.00 0.00 55.36 55.26 3ggw s GLN 39 Cb -0.09 -1.20 0.00 0.00 1.10 0.00 0.00 33.01 32.82 3ggw s GLN 39 CO 0.25 0.08 0.21 -1.54 -0.55 0.00 0.00 175.29 173.73 3ggw s SER 40 N 0.45 0.08 0.15 6.67 1.04 -1.09 -1.28 113.70 119.71 3ggw s SER 40 Ca -0.09 -0.58 -0.18 0.00 0.48 0.00 0.00 55.95 55.58 3ggw s SER 40 Cb -0.13 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.37 3ggw s SER 40 CO 0.02 -0.72 1.70 -0.65 0.98 0.00 0.00 173.24 174.58 3ggw h PRO 41 N 2.81 0.05 -0.18 4.02 0.11 -1.93 0.19 132.00 137.07 3ggw h PRO 41 Ca -0.34 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.60 3ggw h PRO 41 Cb 1.20 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ggw h PRO 41 CO 0.54 0.04 -0.58 1.49 -0.21 0.00 0.00 178.00 179.28 3ggw h GLU 42 N 0.06 0.60 -0.02 1.05 4.57 -1.99 -3.32 114.58 115.53 3ggw h GLU 42 Ca 0.14 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3ggw h GLU 42 Cb 0.20 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3ggw h GLU 42 CO -0.26 1.01 0.00 1.63 -1.18 0.00 0.00 179.01 180.21 3ggw n LYS 43 N -3.95 -0.11 0.00 1.92 4.76 -1.24 -5.10 118.16 114.44 3ggw n LYS 43 Ca -0.04 -0.83 0.00 0.00 -2.87 0.00 0.00 58.31 54.57 3ggw n LYS 43 Cb 0.63 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 3ggw n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ggw n GLY 44 N 0.18 2.35 3.68 0.72 0.00 0.05 -4.49 105.19 107.69 3ggw n GLY 44 Ca 0.02 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 3ggw n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ggw s LEU 45 N 0.00 4.24 -0.26 0.99 1.43 -1.26 -2.66 118.68 121.15 3ggw s LEU 45 Ca 0.00 1.70 -0.02 0.00 -1.03 0.00 0.00 54.13 54.78 3ggw s LEU 45 Cb 0.00 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.75 3ggw s LEU 45 CO 0.00 -0.59 0.07 -0.70 0.23 0.00 0.00 176.35 175.36 3ggw s GLU 46 N 2.48 0.67 0.23 1.70 2.12 0.26 -4.99 118.70 121.16 3ggw s GLU 46 Ca 0.53 -0.78 -0.32 0.00 0.36 0.00 0.00 54.97 54.77 3ggw s GLU 46 Cb -0.22 -1.96 -0.12 0.00 0.26 0.00 0.00 34.13 32.09 3ggw s GLU 46 CO 0.18 -0.85 1.69 1.87 -0.54 0.00 0.00 175.26 177.61 3ggw n TRP 47 N 4.96 2.76 -0.00 5.30 -0.00 -1.26 -0.71 117.44 128.49 3ggw n TRP 47 Ca -0.05 0.10 -0.00 0.00 -0.00 0.00 0.00 57.50 57.54 3ggw n TRP 47 Cb 0.44 -2.65 -0.00 0.00 -0.00 0.00 0.00 31.31 29.09 3ggw n TRP 47 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 3ggw n VAL 48 N 3.52 0.02 -3.51 5.87 0.24 -0.03 -4.61 118.33 119.83 3ggw n VAL 48 Ca 0.14 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.34 62.29 3ggw n VAL 48 Cb 0.35 -0.97 -0.05 0.00 -1.47 0.00 0.00 33.84 31.70 3ggw n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ggw s ALA 49 N -2.01 -1.78 -0.02 2.33 0.00 -1.15 -1.26 121.76 117.87 3ggw s ALA 49 Ca -0.00 1.22 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 3ggw s ALA 49 Cb 0.00 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.19 3ggw s ALA 49 CO 0.01 -0.45 0.36 -2.00 0.00 0.00 0.00 175.76 173.69 3ggw s GLU 50 N -1.73 0.72 -0.02 0.00 2.12 0.23 -1.02 118.70 119.00 3ggw s GLU 50 Ca -0.06 -0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.15 3ggw s GLU 50 Cb -0.00 0.32 0.01 0.00 0.26 0.00 0.00 34.13 34.72 3ggw s GLU 50 CO 0.03 -0.20 0.04 -1.50 -0.54 0.00 0.00 175.26 173.09 3ggw s ILE 51 N -1.26 -0.02 0.00 -3.70 2.07 0.20 -0.94 121.20 117.56 3ggw s ILE 51 Ca -0.13 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 3ggw s ILE 51 Cb -0.04 -0.08 0.00 0.00 0.13 0.00 0.00 42.46 42.47 3ggw s ILE 51 CO 0.05 0.03 0.00 0.54 -1.91 0.00 0.00 174.94 173.65 3ggw n ARG 52 N 3.48 3.09 -3.31 3.50 1.74 -0.24 -1.64 116.66 123.28 3ggw n ARG 52 Ca -0.18 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.72 3ggw n ARG 52 Cb 0.56 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.00 3ggw n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ggw s LEU 52 N 0.00 3.69 0.28 0.55 1.43 -1.26 -4.61 118.68 118.75 3ggw s LEU 52 Ca 0.00 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3ggw s LEU 52 Cb 0.00 -2.53 0.63 0.00 0.03 0.00 0.00 46.19 44.32 3ggw s LEU 52 CO 0.00 -0.62 1.72 0.50 0.23 0.00 0.00 176.35 178.19 3ggw h LYS 52 N 0.84 0.46 0.00 1.70 3.64 -1.94 0.22 116.57 121.49 3ggw h LYS 52 Ca -0.42 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3ggw h LYS 52 Cb 1.27 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3ggw h LYS 52 CO 0.51 0.31 0.00 -1.13 -2.27 0.00 0.00 179.45 176.86 3ggw n SER 52 N -4.98 0.36 -1.46 4.20 3.41 -1.26 -0.93 113.62 112.96 3ggw n SER 52 Ca 0.19 0.62 0.08 0.00 -0.26 0.00 0.00 58.87 59.50 3ggw n SER 52 Cb 0.55 -0.68 0.34 0.00 -0.26 0.00 0.00 64.21 64.16 3ggw n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ggw n ASP 53 N -1.93 4.79 -3.72 4.04 8.00 0.55 -4.92 116.55 123.36 3ggw n ASP 53 Ca 0.01 -2.75 -0.28 0.00 0.71 0.00 0.00 54.79 52.48 3ggw n ASP 53 Cb 0.14 -0.59 0.01 0.00 -0.02 0.00 0.00 41.12 40.66 3ggw n ASP 53 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3ggw n ASN 54 N 0.46 -4.38 -3.79 -2.24 5.15 -0.10 -2.55 115.26 107.81 3ggw n ASN 54 Ca 0.24 -0.65 -0.25 0.00 -0.60 0.00 0.00 54.58 53.32 3ggw n ASN 54 Cb 0.98 -3.54 0.03 0.00 -0.53 0.00 0.00 39.78 36.72 3ggw n ASN 54 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3ggw n TYR 55 N -4.40 -2.14 -1.74 1.20 4.01 0.18 -4.87 117.16 109.41 3ggw n TYR 55 Ca 0.02 0.88 -0.42 0.00 -0.16 0.00 0.00 57.90 58.22 3ggw n TYR 55 Cb 0.53 -4.25 -0.02 0.00 -0.31 0.00 0.00 39.34 35.29 3ggw n TYR 55 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ggw n ALA 56 N -4.50 2.72 -2.52 -0.72 0.00 -1.06 -4.64 120.51 109.79 3ggw n ALA 56 Ca -0.13 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.43 3ggw n ALA 56 Cb 0.60 -2.50 -0.10 0.00 0.00 0.00 0.00 19.45 17.46 3ggw n ALA 56 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ggw s THR 57 N 0.45 2.88 -0.04 0.00 -4.23 -1.26 -1.08 115.64 112.35 3ggw s THR 57 Ca 0.68 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.22 3ggw s THR 57 Cb -0.49 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 70.91 3ggw s THR 57 CO 0.42 -0.19 0.14 -0.31 -0.54 0.00 0.00 174.62 174.14 3ggw s TYR 58 N -1.90 -0.11 0.01 3.99 1.51 -0.11 -5.00 117.35 115.73 3ggw s TYR 58 Ca 0.25 0.28 0.00 0.00 -1.01 0.00 0.00 57.07 56.59 3ggw s TYR 58 Cb -0.08 0.03 -0.01 0.00 -0.11 0.00 0.00 41.96 41.79 3ggw s TYR 58 CO 0.14 -0.12 -0.02 0.71 -1.11 0.00 0.00 175.55 175.16 3ggw s TYR 59 N -0.21 0.14 0.43 2.71 2.02 -1.26 -0.60 117.35 120.57 3ggw s TYR 59 Ca -0.03 -0.27 -0.24 0.00 -0.37 0.00 0.00 57.07 56.17 3ggw s TYR 59 Cb -0.02 -0.10 -0.08 0.00 -0.40 0.00 0.00 41.96 41.36 3ggw s TYR 59 CO 0.00 -0.09 1.15 0.00 -1.57 0.00 0.00 175.55 175.04 3ggw s ALA 60 N -0.73 3.06 0.30 3.71 0.00 -0.39 -4.91 121.76 122.79 3ggw s ALA 60 Ca -0.08 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.82 3ggw s ALA 60 Cb -0.05 -3.36 0.61 0.00 0.00 0.00 0.00 23.12 20.32 3ggw s ALA 60 CO -0.00 -0.54 1.84 1.49 0.00 0.00 0.00 175.76 178.54 3ggw h GLU 61 N 2.33 0.90 -0.93 0.00 4.57 -1.93 -1.86 114.58 117.66 3ggw h GLU 61 Ca -0.49 -0.05 0.26 0.00 -1.18 0.00 0.00 59.36 57.90 3ggw h GLU 61 Cb 1.24 -0.20 -0.14 0.00 -0.16 0.00 0.00 28.75 29.48 3ggw h GLU 61 CO 0.61 0.60 0.40 0.66 -1.18 0.00 0.00 179.01 180.10 3ggw h SER 62 N 0.93 0.29 -0.03 1.04 4.64 -1.96 -2.62 113.55 115.84 3ggw h SER 62 Ca 0.50 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 3ggw h SER 62 Cb 0.56 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3ggw h SER 62 CO -0.27 -0.09 0.00 1.33 -0.87 0.00 0.00 176.83 176.93 3ggw n VAL 63 N -5.10 0.05 -1.72 0.95 0.24 -0.73 -4.95 118.33 107.07 3ggw n VAL 63 Ca 0.25 -0.53 -0.43 0.00 -2.04 0.00 0.00 64.34 61.60 3ggw n VAL 63 Cb 0.77 1.20 -0.02 0.00 -1.47 0.00 0.00 33.84 34.33 3ggw n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3ggw n LYS 64 N 0.63 2.45 0.00 7.34 5.02 -0.99 -0.87 118.16 131.74 3ggw n LYS 64 Ca 0.07 0.87 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 3ggw n LYS 64 Cb 0.29 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.71 3ggw n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ggw n GLY 65 N 1.95 2.85 0.06 0.72 0.00 -1.26 -4.77 105.19 104.75 3ggw n GLY 65 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 3ggw n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ggw n LYS 66 N -2.00 0.91 -4.44 1.61 5.02 -0.05 -5.02 118.16 114.18 3ggw n LYS 66 Ca 0.00 0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 3ggw n LYS 66 Cb 0.00 -1.27 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 3ggw n LYS 66 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3ggw s PHE 67 N -2.27 2.83 -0.09 2.13 0.40 -0.64 -4.37 117.98 115.98 3ggw s PHE 67 Ca -0.15 -0.08 -0.00 0.00 -0.60 0.00 0.00 56.93 56.10 3ggw s PHE 67 Cb 0.04 -1.56 0.02 0.00 0.51 0.00 0.00 43.02 42.03 3ggw s PHE 67 CO 0.35 0.37 -0.05 0.99 0.70 0.00 0.00 175.22 177.58 3ggw s THR 68 N -1.03 0.76 0.07 0.64 2.01 0.14 -4.88 115.64 113.36 3ggw s THR 68 Ca 0.18 -0.16 -0.09 0.00 0.31 0.00 0.00 61.69 61.93 3ggw s THR 68 Cb -0.11 -0.81 -0.06 0.00 0.01 0.00 0.00 72.50 71.53 3ggw s THR 68 CO 0.08 0.31 0.39 -0.51 -0.69 0.00 0.00 174.62 174.20 3ggw s ILE 69 N 1.56 5.11 0.19 1.82 2.07 -1.26 -1.08 121.20 129.62 3ggw s ILE 69 Ca 0.01 0.42 -0.15 0.00 -1.41 0.00 0.00 60.65 59.51 3ggw s ILE 69 Cb -0.13 -3.64 0.02 0.00 0.13 0.00 0.00 42.46 38.84 3ggw s ILE 69 CO -0.05 0.29 0.46 -0.94 -1.91 0.00 0.00 174.94 172.80 3ggw s SER 70 N -1.77 -0.17 0.01 4.50 1.04 -0.92 -5.01 113.70 111.38 3ggw s SER 70 Ca 0.33 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.15 3ggw s SER 70 Cb -0.14 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 3ggw s SER 70 CO 0.18 -1.02 -0.02 0.00 0.98 0.00 0.00 173.24 173.36 3ggw s ARG 71 N -3.91 0.16 -0.39 4.02 1.70 -1.26 -0.48 118.95 118.79 3ggw s ARG 71 Ca 0.12 -0.32 0.04 0.00 -0.47 0.00 0.00 55.73 55.10 3ggw s ARG 71 Cb 0.00 0.06 0.11 0.00 -0.57 0.00 0.00 34.95 34.55 3ggw s ARG 71 CO -0.01 -0.03 0.12 0.34 -1.08 0.00 0.00 175.30 174.64 3ggw s ASP 72 N -0.77 4.54 0.47 -2.89 -1.08 0.27 -4.98 116.67 112.24 3ggw s ASP 72 Ca -0.08 -2.40 0.12 0.00 -0.52 0.00 0.00 52.55 49.67 3ggw s ASP 72 Cb -0.05 -1.56 1.07 0.00 -1.46 0.00 0.00 42.92 40.92 3ggw s ASP 72 CO -0.01 -0.33 2.10 0.44 0.52 0.00 0.00 175.17 177.89 3ggw h ASP 73 N 7.28 0.23 0.73 -0.34 3.32 -1.97 -1.45 116.42 124.22 3ggw h ASP 73 Ca -0.06 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 3ggw h ASP 73 Cb 0.98 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3ggw h ASP 73 CO 0.56 0.17 -0.20 0.77 -1.72 0.00 0.00 179.24 178.82 3ggw h SER 74 N 0.27 0.00 -0.16 6.45 4.64 -1.94 -2.70 113.55 120.12 3ggw h SER 74 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3ggw h SER 74 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3ggw h SER 74 CO -0.02 0.20 0.00 0.29 -0.87 0.00 0.00 176.83 176.44 3ggw n LYS 75 N -3.48 1.89 -3.95 4.77 5.02 -0.61 -4.98 118.16 116.83 3ggw n LYS 75 Ca -0.01 -1.81 -0.30 0.00 -2.02 0.00 0.00 58.31 54.17 3ggw n LYS 75 Cb 0.37 -1.38 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 3ggw n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3ggw n SER 76 N 1.09 -4.15 -4.18 4.39 7.64 -0.85 -4.84 113.62 112.72 3ggw n SER 76 Ca 0.13 -0.83 -0.28 0.00 1.01 0.00 0.00 58.87 58.90 3ggw n SER 76 Cb 0.49 -3.70 -0.16 0.00 -1.01 0.00 0.00 64.21 59.83 3ggw n SER 76 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3ggw s ARG 77 N -6.62 2.07 -0.05 1.43 3.52 -0.89 -1.88 118.95 116.53 3ggw s ARG 77 Ca 0.60 -0.72 -0.01 0.00 -0.13 0.00 0.00 55.73 55.47 3ggw s ARG 77 Cb -0.31 -1.78 -0.04 0.00 -1.56 0.00 0.00 34.95 31.27 3ggw s ARG 77 CO 0.85 0.29 0.04 -1.17 -0.81 0.00 0.00 175.30 174.50 3ggw s LEU 78 N -0.03 3.75 0.17 -0.88 2.96 -0.25 -0.56 118.68 123.83 3ggw s LEU 78 Ca -0.04 0.15 0.08 0.00 -0.22 0.00 0.00 54.13 54.10 3ggw s LEU 78 Cb -0.12 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 3ggw s LEU 78 CO 0.03 0.33 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.90 3ggw s TYR 79 N -1.04 1.79 -0.15 5.38 2.02 0.36 -0.86 117.35 124.85 3ggw s TYR 79 Ca 0.18 -0.48 -0.03 0.00 -0.37 0.00 0.00 57.07 56.37 3ggw s TYR 79 Cb -0.12 -0.89 0.05 0.00 -0.40 0.00 0.00 41.96 40.61 3ggw s TYR 79 CO 0.08 0.33 0.05 -1.17 -1.57 0.00 0.00 175.55 173.26 3ggw s LEU 80 N -2.72 0.77 -0.15 -1.29 2.96 -0.03 -2.17 118.68 116.05 3ggw s LEU 80 Ca 0.16 -0.57 -0.19 0.00 -0.22 0.00 0.00 54.13 53.31 3ggw s LEU 80 Cb -0.05 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 3ggw s LEU 80 CO 0.07 -0.29 0.53 -1.58 -1.32 0.00 0.00 176.35 173.76 3ggw s GLN 81 N 1.98 4.28 0.03 1.98 2.00 -0.24 -1.58 119.66 128.10 3ggw s GLN 81 Ca 0.01 0.50 0.07 0.00 -2.00 0.00 0.00 55.36 53.94 3ggw s GLN 81 Cb -0.16 -3.50 -0.02 0.00 0.80 0.00 0.00 33.01 30.13 3ggw s GLN 81 CO -0.07 -0.02 -0.19 -1.64 -0.50 0.00 0.00 175.29 172.87 3ggw s MET 82 N 1.18 1.32 0.00 1.67 -1.94 0.05 -0.68 119.30 120.91 3ggw s MET 82 Ca 0.27 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.39 3ggw s MET 82 Cb -0.16 -1.39 0.00 0.00 2.01 0.00 0.00 34.83 35.30 3ggw s MET 82 CO 0.11 0.36 0.00 -1.71 -0.01 0.00 0.00 175.02 173.77 3ggw n ASN 82 N 1.99 0.00 -4.78 3.03 4.05 -1.05 -0.93 115.26 117.58 3ggw n ASN 82 Ca -0.17 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.50 3ggw n ASN 82 Cb 0.54 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.53 3ggw n ASN 82 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3ggw s LEU 82 N -2.24 3.99 0.37 1.20 1.43 -0.64 -4.65 118.68 118.15 3ggw s LEU 82 Ca 0.00 2.21 0.08 0.00 -1.03 0.00 0.00 54.13 55.39 3ggw s LEU 82 Cb 0.00 -4.29 -0.06 0.00 0.03 0.00 0.00 46.19 41.86 3ggw s LEU 82 CO 0.00 -0.86 0.02 0.00 0.23 0.00 0.00 176.35 175.75 3ggw s ARG 83 N -2.77 2.02 0.45 1.70 1.70 -1.26 0.09 118.95 120.88 3ggw s ARG 83 Ca 0.64 -1.90 0.13 0.00 -0.47 0.00 0.00 55.73 54.13 3ggw s ARG 83 Cb -0.26 -1.82 1.04 0.00 -0.57 0.00 0.00 34.95 33.34 3ggw s ARG 83 CO 0.31 0.04 2.04 1.79 -1.08 0.00 0.00 175.30 178.40 3ggw h THR 84 N 1.77 0.97 0.00 4.99 1.35 -1.98 0.82 112.91 120.84 3ggw h THR 84 Ca -0.43 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3ggw h THR 84 Cb 1.25 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3ggw h THR 84 CO 0.72 0.07 0.00 -0.62 -0.25 0.00 0.00 175.52 175.43 3ggw n GLU 85 N -4.48 0.04 0.00 4.72 4.71 -1.26 -1.55 120.64 122.82 3ggw n GLU 85 Ca 0.05 0.24 0.15 0.00 -0.01 0.00 0.00 57.16 57.60 3ggw n GLU 85 Cb 0.24 -1.50 0.80 0.00 -1.01 0.00 0.00 31.44 29.96 3ggw n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3ggw n ASP 86 N -1.46 0.05 -4.71 1.62 8.00 0.28 -4.83 116.55 115.50 3ggw n ASP 86 Ca 0.04 -0.42 -0.43 0.00 0.71 0.00 0.00 54.79 54.69 3ggw n ASP 86 Cb 0.15 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 3ggw n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3ggw n THR 87 N -1.17 0.82 0.00 -3.53 -1.04 -0.60 -4.87 114.28 103.89 3ggw n THR 87 Ca 0.17 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3ggw n THR 87 Cb 0.21 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 3ggw n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ggw n GLY 88 N 2.45 -0.53 3.70 3.41 0.00 -0.20 -4.79 105.19 109.23 3ggw n GLY 88 Ca 0.11 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 3ggw n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ggw s ILE 89 N -2.00 5.17 -0.22 -0.61 -1.09 -0.41 -1.21 121.20 120.83 3ggw s ILE 89 Ca 0.00 0.92 -0.06 0.00 -2.23 0.00 0.00 60.65 59.28 3ggw s ILE 89 Cb 0.00 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 3ggw s ILE 89 CO 0.00 0.28 0.04 -0.31 -1.23 0.00 0.00 174.94 173.72 3ggw s TYR 90 N 0.94 3.08 -0.09 3.97 1.51 0.35 -0.71 117.35 126.41 3ggw s TYR 90 Ca 0.25 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.90 3ggw s TYR 90 Cb -0.15 -2.16 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 3ggw s TYR 90 CO 0.10 -0.27 -0.06 0.71 -1.11 0.00 0.00 175.55 174.92 3ggw s TYR 91 N 1.25 2.98 0.10 2.71 2.02 0.56 -0.94 117.35 126.02 3ggw s TYR 91 Ca 0.04 -0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.42 3ggw s TYR 91 Cb -0.15 -1.76 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 3ggw s TYR 91 CO 0.02 0.28 0.96 0.00 -1.57 0.00 0.00 175.55 175.24 3ggw s PHE 93 N 0.12 1.95 -0.63 0.00 5.36 -0.31 -1.41 117.98 123.05 3ggw s PHE 93 Ca 0.47 -1.23 -0.23 0.00 -0.96 0.00 0.00 56.93 54.99 3ggw s PHE 93 Cb -0.23 -1.43 0.06 0.00 -0.34 0.00 0.00 43.02 41.08 3ggw s PHE 93 CO 0.30 -0.65 0.95 -1.17 -1.46 0.00 0.00 175.22 173.18 3ggw s LEU 94 N 1.55 4.32 0.23 6.12 0.20 0.02 -1.46 118.68 129.67 3ggw s LEU 94 Ca 0.01 -0.84 -0.31 0.00 0.69 0.00 0.00 54.13 53.67 3ggw s LEU 94 Cb -0.15 -2.51 -0.12 0.00 -0.43 0.00 0.00 46.19 42.99 3ggw s LEU 94 CO -0.08 -1.38 1.67 -2.84 -0.29 0.00 0.00 176.35 173.42 3ggw s PRO 95 N 4.01 4.13 0.00 0.98 0.02 -1.26 -1.18 135.00 141.70 3ggw s PRO 95 Ca 0.24 2.58 0.07 0.00 0.02 0.00 0.00 61.00 63.91 3ggw s PRO 95 Cb -0.16 -3.06 0.20 0.00 0.02 0.00 0.00 34.50 31.50 3ggw s PRO 95 CO 0.12 -0.70 1.15 -1.33 -0.33 0.00 0.00 177.00 175.91 3ggw n MET 96 N 3.37 2.77 -0.05 5.54 0.00 -1.26 -4.92 117.12 122.57 3ggw n MET 96 Ca 0.13 -1.83 -0.12 0.00 0.00 0.00 0.00 57.70 55.89 3ggw n MET 96 Cb 0.36 -1.18 -0.14 0.00 0.00 0.00 0.00 33.22 32.26 3ggw n MET 96 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3ggw n ASP 101 N 0.20 0.94 -3.97 7.83 8.00 -0.33 -5.01 116.55 124.21 3ggw n ASP 101 Ca 0.08 0.23 -0.19 0.00 0.71 0.00 0.00 54.79 55.62 3ggw n ASP 101 Cb 0.36 0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.36 3ggw n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3ggw s TYR 102 N -2.56 0.80 0.11 1.24 2.02 -0.98 -5.01 117.35 112.97 3ggw s TYR 102 Ca -0.11 -0.19 0.09 0.00 -0.37 0.00 0.00 57.07 56.49 3ggw s TYR 102 Cb 0.07 -0.59 -0.04 0.00 -0.40 0.00 0.00 41.96 41.01 3ggw s TYR 102 CO 0.80 -0.09 -0.23 -1.58 -1.57 0.00 0.00 175.55 172.87 3ggw s TRP 103 N 0.26 1.98 0.24 2.71 0.52 -1.26 -0.80 118.94 122.58 3ggw s TRP 103 Ca -0.04 -0.40 -0.04 0.00 0.02 0.00 0.00 56.10 55.64 3ggw s TRP 103 Cb -0.08 -1.09 0.05 0.00 -1.15 0.00 0.00 33.47 31.20 3ggw s TRP 103 CO 0.00 0.24 0.32 0.41 0.02 0.00 0.00 176.95 177.94 3ggw n GLY 104 N 1.10 -1.24 0.10 0.98 0.00 -0.50 -4.56 105.19 101.07 3ggw n GLY 104 Ca -0.19 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.28 3ggw n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3ggw h GLN 105 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -3.47 115.11 111.33 3ggw h GLN 105 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.55 3ggw h GLN 105 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.76 3ggw h GLN 105 CO 0.07 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.31 3ggw n GLY 106 N 1.29 -0.06 3.17 0.06 0.00 -1.26 -5.04 105.19 103.35 3ggw n GLY 106 Ca 0.04 -1.50 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 3ggw n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ggw s THR 107 N -2.43 1.50 -0.04 2.61 -1.32 -0.11 -4.81 115.64 111.05 3ggw s THR 107 Ca 0.00 -0.78 -0.19 0.00 -1.21 0.00 0.00 61.69 59.51 3ggw s THR 107 Cb 0.00 -1.27 -0.05 0.00 -1.51 0.00 0.00 72.50 69.67 3ggw s THR 107 CO 0.00 0.43 0.52 -0.55 -2.21 0.00 0.00 174.62 172.81 3ggw s SER 108 N -0.18 6.85 -0.12 8.08 0.15 -1.26 -0.49 113.70 126.74 3ggw s SER 108 Ca 0.01 1.02 0.01 0.00 0.70 0.00 0.00 55.95 57.69 3ggw s SER 108 Cb -0.10 -2.32 0.02 0.00 -1.71 0.00 0.00 66.02 61.91 3ggw s SER 108 CO 0.01 0.13 -0.15 -0.69 1.20 0.00 0.00 173.24 173.74 3ggw s VAL 109 N -0.17 1.51 -0.09 4.45 1.01 -0.35 -1.37 120.40 125.39 3ggw s VAL 109 Ca 0.28 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3ggw s VAL 109 Cb -0.17 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3ggw s VAL 109 CO 0.14 0.44 -0.19 -0.89 0.00 0.00 0.00 175.10 174.60 3ggw s THR 110 N 1.07 2.51 -0.27 3.92 2.01 -0.73 -1.03 115.64 123.12 3ggw s THR 110 Ca -0.05 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.08 3ggw s THR 110 Cb -0.15 -1.99 0.05 0.00 0.01 0.00 0.00 72.50 70.43 3ggw s THR 110 CO -0.03 0.55 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.70 3ggw s VAL 111 N 0.10 2.56 -0.11 3.82 1.01 -1.26 -1.50 120.40 125.02 3ggw s VAL 111 Ca -0.09 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 3ggw s VAL 111 Cb -0.15 -2.45 0.09 0.00 0.00 0.00 0.00 36.38 33.87 3ggw s VAL 111 CO 0.06 -0.00 0.81 -0.55 0.00 0.00 0.00 175.10 175.41 3ggw s SER 112 N 1.19 -0.55 0.00 3.32 0.15 -0.12 -4.46 113.70 113.24 3ggw s SER 112 Ca -0.06 0.63 0.28 0.00 0.70 0.00 0.00 55.95 57.50 3ggw s SER 112 Cb -0.19 0.49 1.12 0.00 -1.71 0.00 0.00 66.02 65.73 3ggw s SER 112 CO -0.04 -0.48 1.81 -1.54 1.20 0.00 0.00 173.24 174.18 3ggw n SER 113 N 0.94 0.36 -4.77 5.45 3.41 -1.26 -3.85 113.62 113.90 3ggw n SER 113 Ca -0.15 -0.28 -0.33 0.00 -0.26 0.00 0.00 58.87 57.85 3ggw n SER 113 Cb 0.57 -0.12 0.05 0.00 -0.26 0.00 0.00 64.21 64.45 3ggw n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ggw s ALA 114 N -2.68 2.47 0.13 7.33 0.00 -1.26 -4.99 121.76 122.76 3ggw s ALA 114 Ca 0.23 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 3ggw s ALA 114 Cb 0.19 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 3ggw s ALA 114 CO 0.52 -1.28 0.49 -1.59 0.00 0.00 0.00 175.76 173.90 3ggw s LYS 115 N -4.14 3.86 0.18 0.00 -2.85 -1.26 -5.00 119.74 110.53 3ggw s LYS 115 Ca 0.66 0.33 -0.31 0.00 -1.00 0.00 0.00 55.97 55.65 3ggw s LYS 115 Cb -0.20 -2.91 -0.09 0.00 -2.06 0.00 0.00 37.83 32.57 3ggw s LYS 115 CO 0.42 0.48 1.42 0.99 0.10 0.00 0.00 175.35 178.77 3ggw s THR 116 N -1.50 2.95 -0.03 3.79 2.01 -1.26 -4.63 115.64 116.97 3ggw s THR 116 Ca 0.38 0.74 -0.01 0.00 0.31 0.00 0.00 61.69 63.11 3ggw s THR 116 Cb -0.14 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 68.93 3ggw s THR 116 CO 0.19 0.09 0.04 -0.89 -0.69 0.00 0.00 174.62 173.36 3ggw s THR 117 N 0.54 -0.03 0.69 -0.82 2.01 0.11 -4.93 115.64 113.21 3ggw s THR 117 Ca 0.62 0.27 -0.12 0.00 0.31 0.00 0.00 61.69 62.77 3ggw s THR 117 Cb -0.40 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 71.97 3ggw s THR 117 CO 0.36 0.14 1.07 -2.16 -0.69 0.00 0.00 174.62 173.34 3ggw s PRO 118 N 1.51 2.87 0.47 4.92 0.04 -1.26 -1.39 135.00 142.15 3ggw s PRO 118 Ca -0.03 1.09 -0.21 0.00 0.04 0.00 0.00 61.00 61.88 3ggw s PRO 118 Cb -0.13 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 3ggw s PRO 118 CO -0.03 -1.16 1.07 -1.25 0.04 0.00 0.00 177.00 175.67 3ggw s PRO 119 N -4.73 3.83 0.03 0.56 0.04 -1.26 -4.47 135.00 129.00 3ggw s PRO 119 Ca 0.61 1.49 -0.23 0.00 0.04 0.00 0.00 61.00 62.91 3ggw s PRO 119 Cb -0.16 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 32.09 3ggw s PRO 119 CO 0.50 -0.43 0.69 -1.12 0.04 0.00 0.00 177.00 176.68 3ggw s SER 120 N -1.76 7.12 -0.19 6.66 0.01 -0.12 -4.90 113.70 120.51 3ggw s SER 120 Ca 0.65 1.34 0.00 0.00 1.31 0.00 0.00 55.95 59.25 3ggw s SER 120 Cb -0.20 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.62 3ggw s SER 120 CO 0.25 0.06 -0.16 -0.69 0.41 0.00 0.00 173.24 173.11 3ggw s VAL 121 N -0.18 2.34 -0.04 3.43 1.01 -1.26 -0.53 120.40 125.17 3ggw s VAL 121 Ca 0.35 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.53 3ggw s VAL 121 Cb -0.20 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 3ggw s VAL 121 CO 0.21 0.50 -0.24 -0.31 0.00 0.00 0.00 175.10 175.25 3ggw s TYR 122 N 1.32 2.30 0.28 5.22 2.02 0.08 -4.96 117.35 123.61 3ggw s TYR 122 Ca 0.05 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 55.87 3ggw s TYR 122 Cb -0.13 -1.50 -0.09 0.00 -0.40 0.00 0.00 41.96 39.83 3ggw s TYR 122 CO -0.11 -0.14 1.12 -1.25 -1.57 0.00 0.00 175.55 173.60 3ggw s PRO 123 N -0.32 4.62 -0.46 -1.71 0.04 -1.26 -0.89 135.00 135.01 3ggw s PRO 123 Ca 0.02 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 3ggw s PRO 123 Cb -0.12 -3.19 0.12 0.00 0.04 0.00 0.00 34.50 31.36 3ggw s PRO 123 CO 0.02 0.17 0.27 -0.51 0.04 0.00 0.00 177.00 176.98 3ggw s LEU 124 N -1.38 5.25 -0.05 -3.56 1.43 0.90 -4.86 118.68 116.42 3ggw s LEU 124 Ca 0.45 -2.24 -0.01 0.00 -1.03 0.00 0.00 54.13 51.30 3ggw s LEU 124 Cb -0.32 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3ggw s LEU 124 CO 0.41 -0.50 0.04 0.00 0.23 0.00 0.00 176.35 176.53 3ggw s ALA 125 N 0.84 3.45 0.00 4.21 0.00 -1.26 -1.89 121.76 127.10 3ggw s ALA 125 Ca 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3ggw s ALA 125 Cb -0.22 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.35 3ggw s ALA 125 CO -0.04 0.63 0.00 -0.35 0.00 0.00 0.00 175.76 176.00 3ggw n PRO 126 N 1.71 0.00 0.00 0.00 -0.04 -1.26 -5.06 135.00 130.35 3ggw n PRO 126 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 3ggw n PRO 126 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 3ggw n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3ggw n SER 136 N 0.00 0.00 -4.34 3.54 2.88 -1.26 -4.88 113.62 109.56 3ggw n SER 136 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 3ggw n SER 136 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 3ggw n SER 136 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3ggw s MET 137 N 0.00 1.65 -0.05 -1.46 1.00 -1.26 -1.67 119.30 117.50 3ggw s MET 137 Ca 0.00 -1.13 0.03 0.00 0.00 0.00 0.00 55.69 54.59 3ggw s MET 137 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 34.83 32.95 3ggw s MET 137 CO 0.00 0.48 -0.15 0.54 0.00 0.00 0.00 175.02 175.89 3ggw s VAL 138 N -0.86 1.28 -0.21 -6.03 0.11 0.04 -4.75 120.40 109.97 3ggw s VAL 138 Ca 0.11 -0.60 -0.07 0.00 -2.93 0.00 0.00 61.98 58.49 3ggw s VAL 138 Cb -0.10 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 3ggw s VAL 138 CO 0.03 0.38 0.06 -0.89 -3.33 0.00 0.00 175.10 171.35 3ggw s THR 139 N 0.31 4.58 0.46 5.04 2.01 -1.26 -1.09 115.64 125.68 3ggw s THR 139 Ca -0.09 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 61.87 3ggw s THR 139 Cb -0.13 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 3ggw s THR 139 CO 0.03 0.41 0.14 -0.76 -0.69 0.00 0.00 174.62 173.75 3ggw s LEU 140 N 0.89 2.76 0.26 4.42 1.43 0.12 -4.63 118.68 123.92 3ggw s LEU 140 Ca 0.04 -1.33 -0.20 0.00 -1.03 0.00 0.00 54.13 51.61 3ggw s LEU 140 Cb -0.14 -1.09 0.07 0.00 0.03 0.00 0.00 46.19 45.06 3ggw s LEU 140 CO 0.03 -0.72 0.95 -0.83 0.23 0.00 0.00 176.35 176.01 3ggw s GLY 141 N -3.93 0.19 0.02 -3.19 0.00 -0.79 -0.37 107.32 99.25 3ggw s GLY 141 Ca 0.29 -0.47 -0.00 0.00 0.00 0.00 0.00 44.72 44.53 3ggw s GLY 141 CO 0.16 1.40 -0.02 0.00 0.00 0.00 0.00 173.10 174.63 3ggw s LEU 143 N -1.55 3.68 -0.47 0.00 2.96 -0.07 -1.22 118.68 122.02 3ggw s LEU 143 Ca -0.14 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 3ggw s LEU 143 Cb -0.09 -1.98 0.12 0.00 0.50 0.00 0.00 46.19 44.75 3ggw s LEU 143 CO -0.01 0.03 0.26 -0.69 -1.32 0.00 0.00 176.35 174.61 3ggw s VAL 144 N 1.24 3.29 -0.09 1.68 1.01 0.93 -0.74 120.40 127.71 3ggw s VAL 144 Ca 0.05 -2.38 0.02 0.00 0.00 0.00 0.00 61.98 59.67 3ggw s VAL 144 Cb -0.14 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 3ggw s VAL 144 CO 0.04 -0.74 -0.16 -0.75 0.00 0.00 0.00 175.10 173.50 3ggw s LYS 145 N 0.73 3.00 -0.25 2.72 2.20 0.31 -1.35 119.74 127.09 3ggw s LYS 145 Ca 0.11 -0.73 -0.00 0.00 -0.36 0.00 0.00 55.97 54.99 3ggw s LYS 145 Cb -0.22 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 3ggw s LYS 145 CO -0.04 0.36 0.21 0.41 -0.36 0.00 0.00 175.35 175.92 3ggw n GLY 146 N 3.08 0.28 3.65 5.54 0.00 0.21 -0.94 105.19 117.00 3ggw n GLY 146 Ca -0.18 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 3ggw n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ggw s TYR 147 N -3.07 2.70 -0.19 1.61 1.13 -0.61 -4.43 117.35 114.48 3ggw s TYR 147 Ca 0.00 -0.22 -0.25 0.00 -1.41 0.00 0.00 57.07 55.20 3ggw s TYR 147 Cb -0.00 -1.20 0.06 0.00 -1.10 0.00 0.00 41.96 39.72 3ggw s TYR 147 CO 0.15 0.62 0.65 0.12 -2.51 0.00 0.00 175.55 174.58 3ggw s PHE 148 N -2.30 -0.69 0.92 -3.49 5.36 -0.49 -0.07 117.98 117.21 3ggw s PHE 148 Ca 0.31 1.57 -0.12 0.00 -0.96 0.00 0.00 56.93 57.73 3ggw s PHE 148 Cb -0.06 0.28 0.19 0.00 -0.34 0.00 0.00 43.02 43.09 3ggw s PHE 148 CO 0.20 -0.41 1.26 -1.25 -1.46 0.00 0.00 175.22 173.55 3ggw s PRO 149 N -0.07 0.79 0.72 10.12 0.04 -1.26 -0.72 135.00 144.62 3ggw s PRO 149 Ca -0.03 -0.63 -0.15 0.00 0.04 0.00 0.00 61.00 60.23 3ggw s PRO 149 Cb -0.04 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.58 3ggw s PRO 149 CO 0.03 -2.25 1.19 -1.21 0.04 0.00 0.00 177.00 174.80 3ggw s GLU 150 N -5.73 2.21 0.46 4.56 0.41 -1.26 -4.74 118.70 114.61 3ggw s GLU 150 Ca 0.73 1.68 0.08 0.00 -0.41 0.00 0.00 54.97 57.06 3ggw s GLU 150 Cb -0.04 -1.85 0.03 0.00 -1.78 0.00 0.00 34.13 30.49 3ggw s GLU 150 CO 0.51 -1.76 0.61 -1.25 -0.49 0.00 0.00 175.26 172.88 3ggw s PRO 151 N -3.98 2.65 0.25 0.39 0.04 -1.26 -4.93 135.00 128.16 3ggw s PRO 151 Ca 0.73 -1.39 0.10 0.00 0.04 0.00 0.00 61.00 60.47 3ggw s PRO 151 Cb -0.27 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 3ggw s PRO 151 CO 0.45 -0.43 -0.04 0.14 0.04 0.00 0.00 177.00 177.16 3ggw s VAL 152 N -2.46 3.33 -0.10 -0.36 -7.23 -1.26 -4.28 120.40 108.04 3ggw s VAL 152 Ca 0.56 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.87 3ggw s VAL 152 Cb -0.08 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.11 3ggw s VAL 152 CO 0.34 -0.32 -0.23 0.42 -0.31 0.00 0.00 175.10 175.00 3ggw s THR 153 N -2.22 1.99 -0.14 5.32 -4.23 -0.20 -4.98 115.64 111.17 3ggw s THR 153 Ca 0.30 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.81 3ggw s THR 153 Cb -0.07 -1.72 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 3ggw s THR 153 CO 0.19 0.54 -0.06 -0.69 -0.54 0.00 0.00 174.62 174.06 3ggw s VAL 154 N 0.41 3.67 0.23 2.29 1.01 -1.26 -1.10 120.40 125.66 3ggw s VAL 154 Ca -0.18 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3ggw s VAL 154 Cb -0.18 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 3ggw s VAL 154 CO 0.08 0.51 -0.00 0.42 0.00 0.00 0.00 175.10 176.10 3ggw s THR 155 N 0.26 1.04 -0.03 3.92 -4.23 0.06 -4.98 115.64 111.67 3ggw s THR 155 Ca -0.05 -2.03 0.07 0.00 -1.18 0.00 0.00 61.69 58.50 3ggw s THR 155 Cb -0.14 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 3ggw s THR 155 CO 0.04 -0.32 -0.25 0.26 -0.54 0.00 0.00 174.62 173.81 3ggw s TRP 156 N -3.42 2.30 -1.39 3.99 0.52 -1.25 -0.23 118.94 119.46 3ggw s TRP 156 Ca 0.29 -0.52 -0.04 0.00 0.02 0.00 0.00 56.10 55.84 3ggw s TRP 156 Cb 0.06 -1.49 0.00 0.00 -1.15 0.00 0.00 33.47 30.89 3ggw s TRP 156 CO 0.09 -0.09 0.39 0.09 0.02 0.00 0.00 176.95 177.44 3ggw n ASN 157 N 2.62 -0.81 -2.03 2.95 3.02 0.12 -0.69 115.26 120.44 3ggw n ASN 157 Ca -0.16 -1.08 -0.15 0.00 -0.03 0.00 0.00 54.58 53.15 3ggw n ASN 157 Cb 0.51 -2.70 -0.03 0.00 -0.61 0.00 0.00 39.78 36.95 3ggw n ASN 157 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ggw n SER 158 N -2.88 -4.34 0.00 6.41 7.64 -1.26 -0.79 113.62 118.39 3ggw n SER 158 Ca -0.28 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.83 3ggw n SER 158 Cb 0.67 -3.78 0.00 0.00 -1.01 0.00 0.00 64.21 60.09 3ggw n SER 158 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ggw n GLY 159 N -0.64 0.74 0.36 0.23 0.00 0.13 -4.94 105.19 101.08 3ggw n GLY 159 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 3ggw n GLY 159 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ggw h SER 160 N 0.00 1.13 -3.43 1.61 0.02 -0.82 -3.38 113.55 108.67 3ggw h SER 160 Ca 0.00 -0.09 -0.70 0.00 -0.84 0.00 0.00 61.79 60.15 3ggw h SER 160 Cb 0.00 -0.29 -0.20 0.00 0.14 0.00 0.00 62.40 62.06 3ggw h SER 160 CO 0.00 0.90 -0.21 -0.22 -1.14 0.00 0.00 176.83 176.16 3ggw s LEU 161 N -9.94 5.07 0.00 5.07 0.20 -0.94 -4.83 118.68 113.32 3ggw s LEU 161 Ca -0.13 -0.88 0.00 0.00 0.69 0.00 0.00 54.13 53.81 3ggw s LEU 161 Cb 0.17 -2.33 0.00 0.00 -0.43 0.00 0.00 46.19 43.60 3ggw s LEU 161 CO 0.83 -0.64 0.00 -1.54 -0.29 0.00 0.00 176.35 174.71 3ggw n SER 162 N 5.58 2.78 -4.82 3.68 3.41 -1.26 -3.91 113.62 119.07 3ggw n SER 162 Ca -0.09 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.20 3ggw n SER 162 Cb 0.46 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 3ggw n SER 162 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3ggw s SER 163 N -3.76 6.34 -0.23 4.04 0.01 -1.26 -3.70 113.70 115.14 3ggw s SER 163 Ca 0.00 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.98 3ggw s SER 163 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3ggw s SER 163 CO 0.00 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.48 3ggw n GLY 164 N -1.06 0.54 3.79 3.44 0.00 -1.26 -4.78 105.19 105.86 3ggw n GLY 164 Ca 0.08 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 3ggw n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ggw s VAL 165 N -1.90 5.34 -0.26 1.61 1.01 -1.24 -1.40 120.40 123.56 3ggw s VAL 165 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3ggw s VAL 165 Cb 0.00 -3.37 0.07 0.00 0.00 0.00 0.00 36.38 33.08 3ggw s VAL 165 CO 0.00 0.54 0.01 -1.00 0.00 0.00 0.00 175.10 174.65 3ggw s HIS 166 N -0.40 2.15 -0.32 5.22 3.76 0.03 -4.98 115.29 120.75 3ggw s HIS 166 Ca 0.11 -1.73 -0.11 0.00 -0.15 0.00 0.00 55.06 53.18 3ggw s HIS 166 Cb -0.12 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.90 3ggw s HIS 166 CO 0.01 -0.79 0.19 0.99 -0.85 0.00 0.00 174.74 174.30 3ggw s THR 167 N 1.47 5.00 0.38 1.30 2.01 -1.26 -0.19 115.64 124.35 3ggw s THR 167 Ca 0.00 -0.23 -0.18 0.00 0.31 0.00 0.00 61.69 61.59 3ggw s THR 167 Cb -0.18 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 3ggw s THR 167 CO -0.11 0.07 0.85 -0.36 -0.69 0.00 0.00 174.62 174.39 3ggw s PHE 168 N 1.68 3.35 0.46 4.92 0.40 -0.54 -5.00 117.98 123.25 3ggw s PHE 168 Ca 0.06 1.44 -0.24 0.00 -0.60 0.00 0.00 56.93 57.58 3ggw s PHE 168 Cb -0.17 -2.71 -0.08 0.00 0.51 0.00 0.00 43.02 40.57 3ggw s PHE 168 CO 0.09 -0.00 1.32 -2.30 0.70 0.00 0.00 175.22 175.02 3ggw n PRO 169 N -0.46 1.93 -1.86 0.24 -0.02 -1.26 -4.57 135.00 129.00 3ggw n PRO 169 Ca 0.05 0.69 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 3ggw n PRO 169 Cb 0.53 -2.48 0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3ggw n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ggw s ALA 170 N -1.23 2.59 -0.02 3.55 0.00 -1.26 -4.83 121.76 120.56 3ggw s ALA 170 Ca 0.64 0.45 0.05 0.00 0.00 0.00 0.00 51.96 53.10 3ggw s ALA 170 Cb -0.47 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 3ggw s ALA 170 CO 0.56 -1.08 -0.18 0.54 0.00 0.00 0.00 175.76 175.60 3ggw s VAL 171 N -2.44 2.76 -0.20 0.00 0.11 -0.34 -4.94 120.40 115.36 3ggw s VAL 171 Ca 0.65 -0.92 -0.11 0.00 -2.93 0.00 0.00 61.98 58.66 3ggw s VAL 171 Cb -0.18 -2.08 -0.05 0.00 -1.53 0.00 0.00 36.38 32.54 3ggw s VAL 171 CO 0.41 0.53 0.17 -0.22 -3.33 0.00 0.00 175.10 172.66 3ggw s LEU 172 N -0.87 4.20 -0.11 2.54 2.96 -1.26 -1.28 118.68 124.86 3ggw s LEU 172 Ca 0.12 0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.26 3ggw s LEU 172 Cb -0.10 -2.16 0.05 0.00 0.50 0.00 0.00 46.19 44.48 3ggw s LEU 172 CO 0.01 0.14 0.22 -1.58 -1.32 0.00 0.00 176.35 173.82 3ggw s GLN 173 N 0.52 0.11 -1.35 1.98 0.74 0.14 -4.93 119.66 116.87 3ggw s GLN 173 Ca 0.10 0.63 -0.05 0.00 0.05 0.00 0.00 55.36 56.09 3ggw s GLN 173 Cb -0.12 -0.13 0.02 0.00 1.10 0.00 0.00 33.01 33.88 3ggw s GLN 173 CO 0.00 -0.27 0.91 0.43 -0.55 0.00 0.00 175.29 175.81 3ggw n SER 174 N 5.11 -3.07 -1.92 6.67 7.64 -1.26 -1.35 113.62 125.45 3ggw n SER 174 Ca -0.10 -0.73 -0.20 0.00 1.01 0.00 0.00 58.87 58.85 3ggw n SER 174 Cb 0.50 -4.37 -0.06 0.00 -1.01 0.00 0.00 64.21 59.27 3ggw n SER 174 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3ggw n ASP 175 N -3.01 -5.55 -4.06 6.43 8.00 -1.26 -4.99 116.55 112.12 3ggw n ASP 175 Ca -0.16 0.30 -0.18 0.00 0.71 0.00 0.00 54.79 55.45 3ggw n ASP 175 Cb 0.62 -4.79 -0.14 0.00 -0.02 0.00 0.00 41.12 36.79 3ggw n ASP 175 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ggw s LEU 176 N -5.24 2.08 0.06 0.64 1.43 -0.45 -4.75 118.68 112.45 3ggw s LEU 176 Ca 0.00 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3ggw s LEU 176 Cb 0.00 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.71 3ggw s LEU 176 CO 0.00 0.06 0.22 -0.31 0.23 0.00 0.00 176.35 176.55 3ggw s TYR 177 N -0.49 3.52 -0.01 0.29 2.02 0.89 -0.69 117.35 122.89 3ggw s TYR 177 Ca 0.02 0.28 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 3ggw s TYR 177 Cb -0.05 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 3ggw s TYR 177 CO 0.00 0.59 0.01 0.99 -1.57 0.00 0.00 175.55 175.57 3ggw s THR 178 N -1.50 0.00 0.15 -0.71 2.01 -0.40 -0.62 115.64 114.58 3ggw s THR 178 Ca 0.34 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.39 3ggw s THR 178 Cb -0.13 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 3ggw s THR 178 CO 0.27 0.04 0.13 -1.48 -0.69 0.00 0.00 174.62 172.89 3ggw s LEU 179 N 0.44 1.45 0.21 4.42 0.05 -0.46 -1.20 118.68 123.59 3ggw s LEU 179 Ca -0.04 -1.16 0.07 0.00 0.05 0.00 0.00 54.13 53.05 3ggw s LEU 179 Cb -0.06 0.55 -0.05 0.00 -2.05 0.00 0.00 46.19 44.58 3ggw s LEU 179 CO -0.01 -0.80 -0.12 -0.44 -0.55 0.00 0.00 176.35 174.44 3ggw s SER 180 N -3.05 2.47 -0.03 1.48 0.01 -1.26 -0.05 113.70 113.27 3ggw s SER 180 Ca 0.25 -1.06 0.03 0.00 1.31 0.00 0.00 55.95 56.48 3ggw s SER 180 Cb 0.06 -0.12 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 3ggw s SER 180 CO 0.03 -0.24 -0.12 -0.55 0.41 0.00 0.00 173.24 172.78 3ggw s SER 181 N -3.32 1.50 0.09 2.44 0.15 -0.35 -1.47 113.70 112.73 3ggw s SER 181 Ca 0.23 -0.24 0.05 0.00 0.70 0.00 0.00 55.95 56.70 3ggw s SER 181 Cb 0.01 -0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 3ggw s SER 181 CO 0.07 0.10 -0.03 -0.94 1.20 0.00 0.00 173.24 173.64 3ggw s SER 182 N 0.07 4.83 -0.03 5.45 1.04 0.73 -1.36 113.70 124.44 3ggw s SER 182 Ca -0.02 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.21 3ggw s SER 182 Cb -0.09 -1.09 -0.00 0.00 0.10 0.00 0.00 66.02 64.94 3ggw s SER 182 CO 0.01 0.18 -0.12 0.54 0.98 0.00 0.00 173.24 174.83 3ggw s VAL 183 N -1.26 1.05 -0.19 5.02 0.11 0.50 -0.79 120.40 124.84 3ggw s VAL 183 Ca 0.24 -0.51 -0.04 0.00 -2.93 0.00 0.00 61.98 58.73 3ggw s VAL 183 Cb -0.11 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 3ggw s VAL 183 CO 0.16 0.31 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.33 3ggw s THR 184 N 0.07 3.78 0.20 5.04 2.01 -0.50 0.13 115.64 126.37 3ggw s THR 184 Ca -0.02 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.63 3ggw s THR 184 Cb -0.09 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 3ggw s THR 184 CO 0.01 0.45 -0.01 0.68 -0.69 0.00 0.00 174.62 175.06 3ggw s VAL 185 N 0.91 0.88 0.33 3.82 -7.23 -0.25 -4.64 120.40 114.22 3ggw s VAL 185 Ca 0.00 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 57.87 3ggw s VAL 185 Cb -0.14 -2.21 -0.11 0.00 0.56 0.00 0.00 36.38 34.47 3ggw s VAL 185 CO 0.01 -0.42 1.54 -2.84 -0.31 0.00 0.00 175.10 173.09 3ggw s PRO 186 N -3.88 4.12 0.43 4.82 0.02 -1.26 -0.78 135.00 138.47 3ggw s PRO 186 Ca 0.26 2.56 0.12 0.00 0.02 0.00 0.00 61.00 63.96 3ggw s PRO 186 Cb 0.06 -3.00 1.00 0.00 0.02 0.00 0.00 34.50 32.58 3ggw s PRO 186 CO 0.06 -0.58 2.01 0.77 -0.33 0.00 0.00 177.00 178.93 3ggw h SER 187 N 3.99 0.37 0.06 2.53 0.02 -1.61 0.20 113.55 119.11 3ggw h SER 187 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3ggw h SER 187 Cb 1.23 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3ggw h SER 187 CO 0.72 0.24 0.00 0.77 -1.14 0.00 0.00 176.83 177.42 3ggw h SER 188 N 0.42 0.00 0.44 3.07 4.64 -1.90 -2.63 113.55 117.59 3ggw h SER 188 Ca 0.23 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 3ggw h SER 188 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3ggw h SER 188 CO -0.06 0.00 -1.58 0.35 -0.87 0.00 0.00 176.83 174.67 3ggw n THR 189 N -2.76 0.40 -4.08 2.95 -2.24 0.67 -4.82 114.28 104.41 3ggw n THR 189 Ca -0.02 -0.55 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 3ggw n THR 189 Cb 0.07 -0.21 -0.13 0.00 -2.10 0.00 0.00 70.33 67.96 3ggw n THR 189 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3ggw s TRP 190 N -3.37 0.43 -0.01 4.78 -0.00 -0.99 -1.62 118.94 118.17 3ggw s TRP 190 Ca -0.05 -0.21 0.00 0.00 -0.00 0.00 0.00 56.10 55.84 3ggw s TRP 190 Cb 0.11 -0.27 0.01 0.00 -0.00 0.00 0.00 33.47 33.32 3ggw s TRP 190 CO 0.85 -0.04 1.13 -0.35 -0.00 0.00 0.00 176.95 178.54 3ggw n PRO 191 N 2.49 1.03 -0.01 5.86 -0.04 -1.26 -4.73 135.00 138.33 3ggw n PRO 191 Ca -0.16 -0.06 0.05 0.00 -0.04 0.00 0.00 63.50 63.29 3ggw n PRO 191 Cb 0.57 -1.02 -0.08 0.00 -0.04 0.00 0.00 33.50 32.93 3ggw n PRO 191 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ggw n SER 192 N 0.58 2.68 -4.58 3.54 3.41 -1.23 -4.68 113.62 113.33 3ggw n SER 192 Ca 0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.36 3ggw n SER 192 Cb 0.52 1.44 -0.09 0.00 -0.26 0.00 0.00 64.21 65.82 3ggw n SER 192 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ggw s GLU 193 N -2.69 2.11 0.51 4.33 2.02 -0.64 -5.11 118.70 119.23 3ggw s GLU 193 Ca -0.04 -1.30 -0.13 0.00 0.02 0.00 0.00 54.97 53.52 3ggw s GLU 193 Cb 0.06 -2.16 -0.06 0.00 0.10 0.00 0.00 34.13 32.08 3ggw s GLU 193 CO 0.42 0.42 0.92 0.95 0.02 0.00 0.00 175.26 177.99 3ggw s THR 194 N -1.84 4.67 -0.08 3.63 -4.23 -1.26 -4.32 115.64 112.21 3ggw s THR 194 Ca 0.26 0.89 0.02 0.00 -1.18 0.00 0.00 61.69 61.68 3ggw s THR 194 Cb -0.08 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 70.00 3ggw s THR 194 CO 0.16 -0.78 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.65 3ggw s VAL 195 N -2.71 1.21 -0.05 2.29 1.01 -1.26 -5.01 120.40 115.88 3ggw s VAL 195 Ca 0.55 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.06 3ggw s VAL 195 Cb -0.10 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.17 3ggw s VAL 195 CO 0.38 0.38 -0.13 -0.89 0.00 0.00 0.00 175.10 174.83 3ggw s THR 196 N 0.81 1.17 -0.09 3.92 2.01 -1.26 -1.63 115.64 120.57 3ggw s THR 196 Ca -0.12 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.22 3ggw s THR 196 Cb -0.15 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 3ggw s THR 196 CO 0.02 0.35 0.28 0.00 -0.69 0.00 0.00 174.62 174.58 3ggw s ASN 198 N -0.60 3.32 -0.20 0.00 -0.87 0.68 -0.74 114.94 116.53 3ggw s ASN 198 Ca 0.18 -0.48 -0.01 0.00 -1.57 0.00 0.00 52.86 50.98 3ggw s ASN 198 Cb -0.14 -1.28 0.06 0.00 -0.02 0.00 0.00 41.25 39.87 3ggw s ASN 198 CO 0.07 0.19 -0.01 -0.69 -2.57 0.00 0.00 177.10 174.09 3ggw s VAL 199 N 0.16 0.97 -0.14 1.60 1.01 0.10 -0.76 120.40 123.34 3ggw s VAL 199 Ca -0.12 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 3ggw s VAL 199 Cb -0.16 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3ggw s VAL 199 CO 0.07 -0.11 0.16 0.00 0.00 0.00 0.00 175.10 175.22 3ggw s ALA 200 N 1.66 3.80 -0.41 5.51 0.00 -0.26 -0.98 121.76 131.08 3ggw s ALA 200 Ca -0.02 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.35 3ggw s ALA 200 Cb -0.17 -2.08 0.12 0.00 0.00 0.00 0.00 23.12 20.99 3ggw s ALA 200 CO -0.07 0.45 0.16 -1.58 0.00 0.00 0.00 175.76 174.72 3ggw s HIS 201 N -0.55 2.83 0.26 0.00 2.46 -0.17 -1.04 115.29 119.08 3ggw s HIS 201 Ca 0.14 -2.69 -0.01 0.00 0.47 0.00 0.00 55.06 52.96 3ggw s HIS 201 Cb -0.12 -2.44 0.51 0.00 -0.13 0.00 0.00 32.58 30.39 3ggw s HIS 201 CO 0.03 -0.84 1.78 -1.35 -2.47 0.00 0.00 174.74 171.89 3ggw h PRO 202 N 7.19 0.67 -0.18 2.88 0.11 -1.81 -2.10 132.00 138.77 3ggw h PRO 202 Ca -0.06 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.03 3ggw h PRO 202 Cb 0.96 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 3ggw h PRO 202 CO 0.55 0.45 0.12 0.00 -0.21 0.00 0.00 178.00 178.91 3ggw h ALA 203 N 1.53 1.98 -0.08 -0.75 0.00 -1.91 -1.82 119.26 118.21 3ggw h ALA 203 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3ggw h ALA 203 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ggw h ALA 203 CO -0.33 -0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.79 3ggw n SER 204 N -4.51 2.95 -3.51 0.00 3.41 -0.86 -4.97 113.62 106.13 3ggw n SER 204 Ca 0.00 -1.94 -0.25 0.00 -0.26 0.00 0.00 58.87 56.42 3ggw n SER 204 Cb 0.15 -0.04 0.05 0.00 -0.26 0.00 0.00 64.21 64.10 3ggw n SER 204 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ggw n SER 205 N 1.28 -5.65 -4.43 4.04 7.64 -0.69 -5.00 113.62 110.82 3ggw n SER 205 Ca 0.14 -0.53 -0.30 0.00 1.01 0.00 0.00 58.87 59.20 3ggw n SER 205 Cb 0.56 -4.51 -0.13 0.00 -1.01 0.00 0.00 64.21 59.13 3ggw n SER 205 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ggw s THR 206 N -3.24 2.55 -0.01 0.44 -4.23 -1.09 -5.01 115.64 105.05 3ggw s THR 206 Ca 0.52 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 3ggw s THR 206 Cb -0.24 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.52 3ggw s THR 206 CO 0.64 0.23 -0.01 -0.75 -0.54 0.00 0.00 174.62 174.20 3ggw s LYS 207 N -1.70 0.21 0.02 3.99 2.36 -1.26 -1.00 119.74 122.36 3ggw s LYS 207 Ca 0.15 0.01 0.01 0.00 -2.55 0.00 0.00 55.97 53.58 3ggw s LYS 207 Cb -0.10 -0.30 -0.02 0.00 -1.05 0.00 0.00 37.83 36.36 3ggw s LYS 207 CO 0.06 -0.05 -0.04 0.54 1.55 0.00 0.00 175.35 177.42 3ggw s VAL 208 N 0.48 0.20 0.02 4.02 0.11 -0.15 -4.96 120.40 120.12 3ggw s VAL 208 Ca -0.05 -0.72 0.07 0.00 -2.93 0.00 0.00 61.98 58.35 3ggw s VAL 208 Cb -0.07 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 3ggw s VAL 208 CO -0.01 -0.34 -0.19 -1.81 -3.33 0.00 0.00 175.10 169.42 3ggw s ASP 209 N -1.12 3.71 -0.12 3.54 1.01 -1.26 0.01 116.67 122.44 3ggw s ASP 209 Ca -0.11 -0.42 -0.02 0.00 0.71 0.00 0.00 52.55 52.72 3ggw s ASP 209 Cb -0.08 -0.59 0.04 0.00 1.01 0.00 0.00 42.92 43.31 3ggw s ASP 209 CO -0.00 0.27 0.01 -0.54 0.21 0.00 0.00 175.17 175.12 3ggw s LYS 210 N -1.26 0.67 0.05 8.23 -0.14 0.08 -4.98 119.74 122.39 3ggw s LYS 210 Ca 0.14 -0.12 -0.30 0.00 -1.36 0.00 0.00 55.97 54.33 3ggw s LYS 210 Cb -0.10 -1.46 -0.05 0.00 -1.68 0.00 0.00 37.83 34.54 3ggw s LYS 210 CO 0.04 -0.44 1.11 0.21 -0.76 0.00 0.00 175.35 175.51 3ggw s LYS 211 N 1.92 4.49 -0.45 1.68 2.20 -1.26 -1.65 119.74 126.67 3ggw s LYS 211 Ca 0.03 1.64 -0.29 0.00 -0.36 0.00 0.00 55.97 56.99 3ggw s LYS 211 Cb -0.14 -3.38 0.03 0.00 -1.51 0.00 0.00 37.83 32.83 3ggw s LYS 211 CO -0.07 -0.15 1.11 0.42 -0.36 0.00 0.00 175.35 176.31 3ggw s ILE 212 N 0.91 4.28 -0.03 5.43 -1.09 -0.65 -4.93 121.20 125.13 3ggw s ILE 212 Ca 0.55 1.28 0.06 0.00 -2.23 0.00 0.00 60.65 60.31 3ggw s ILE 212 Cb -0.26 -4.56 -0.02 0.00 -1.58 0.00 0.00 42.46 36.04 3ggw s ILE 212 CO 0.29 -0.90 -0.21 0.68 -1.23 0.00 0.00 174.94 173.57 3ggw s VAL 213 N 4.25 2.47 -0.53 2.92 -7.23 -1.26 -4.62 120.40 116.41 3ggw s VAL 213 Ca 0.47 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 3ggw s VAL 213 Cb -0.08 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 34.95 3ggw s VAL 213 CO 0.28 0.58 0.13 -2.65 -0.31 0.00 0.00 175.10 173.14