#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgi n GLY 2 N 0.00 2.32 0.14 -1.84 0.00 -1.26 -4.79 105.19 99.77 2jgi n GLY 2 Ca 0.00 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.48 2jgi n GLY 2 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jgi h ARG 3 N 0.00 0.00 -7.12 1.61 -0.00 -2.10 -3.49 114.38 103.28 2jgi h ARG 3 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.96 2jgi h ARG 3 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 29.97 30.07 2jgi h ARG 3 CO 0.00 0.00 0.43 -1.21 0.00 0.00 0.00 179.97 179.19 2jgi s GLU 4 N -3.31 2.97 -0.11 0.04 2.02 -1.26 -4.91 118.70 114.14 2jgi s GLU 4 Ca 0.02 1.67 -0.33 0.00 0.02 0.00 0.00 54.97 56.35 2jgi s GLU 4 Cb 0.08 -1.95 -0.10 0.00 0.10 0.00 0.00 34.13 32.26 2jgi s GLU 4 CO 0.75 -1.17 1.97 -3.47 0.02 0.00 0.00 175.26 173.36 2jgi n ASP 5 N -1.77 3.41 0.00 -0.19 -0.08 -1.26 -4.86 116.55 111.80 2jgi n ASP 5 Ca 0.12 0.81 0.06 0.00 -1.51 0.00 0.00 54.79 54.27 2jgi n ASP 5 Cb 0.51 -1.41 0.29 0.00 2.34 0.00 0.00 41.12 42.85 2jgi n ASP 5 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2jgi n PRO 6 N 7.23 0.03 0.00 -0.67 -0.04 -1.26 -2.57 135.00 137.73 2jgi n PRO 6 Ca 0.25 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 64.10 2jgi n PRO 6 Cb 0.32 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.85 2jgi n PRO 6 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jgi n GLN 7 N -1.46 0.33 -0.11 0.54 1.13 -1.26 -3.89 117.38 112.66 2jgi n GLN 7 Ca 0.04 -0.09 0.06 0.00 -1.94 0.00 0.00 57.00 55.06 2jgi n GLN 7 Cb 0.14 -1.50 0.12 0.00 0.11 0.00 0.00 30.24 29.11 2jgi n GLN 7 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2jgi n LEU 8 N -1.25 2.59 -4.26 1.08 4.77 -1.06 -4.86 117.00 114.00 2jgi n LEU 8 Ca 0.11 -1.57 -0.36 0.00 -0.03 0.00 0.00 56.01 54.15 2jgi n LEU 8 Cb 0.30 -0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.12 2jgi n LEU 8 CO 0.27 0.59 -0.31 -0.76 -1.33 0.00 0.00 177.39 175.85 2jgi s LEU 9 N -1.01 3.88 0.05 2.23 1.43 -1.25 0.51 118.68 124.53 2jgi s LEU 9 Ca 0.21 -0.98 0.05 0.00 -1.03 0.00 0.00 54.13 52.37 2jgi s LEU 9 Cb 0.12 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2jgi s LEU 9 CO 0.16 -0.24 -0.15 -0.69 0.23 0.00 0.00 176.35 175.67 2jgi s VAL 10 N 1.39 1.17 -0.13 -1.59 1.01 -0.61 -4.99 120.40 116.65 2jgi s VAL 10 Ca -0.01 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 2jgi s VAL 10 Cb -0.18 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2jgi s VAL 10 CO 0.01 -0.07 -0.00 -0.60 0.00 0.00 0.00 175.10 174.43 2jgi s ARG 11 N -1.40 3.44 0.34 2.72 3.52 -1.26 0.11 118.95 126.42 2jgi s ARG 11 Ca 0.01 -0.44 0.05 0.00 -0.13 0.00 0.00 55.73 55.22 2jgi s ARG 11 Cb -0.09 -2.92 -0.07 0.00 -1.56 0.00 0.00 34.95 30.32 2jgi s ARG 11 CO 0.02 0.44 0.04 0.14 -0.81 0.00 0.00 175.30 175.13 2jgi s VAL 12 N -0.17 1.40 0.58 7.11 -7.23 0.44 -4.84 120.40 117.70 2jgi s VAL 12 Ca 0.05 -2.01 0.31 0.00 -1.81 0.00 0.00 61.98 58.52 2jgi s VAL 12 Cb -0.13 -2.81 0.45 0.00 0.56 0.00 0.00 36.38 34.45 2jgi s VAL 12 CO 0.02 -0.03 1.76 -0.09 -0.31 0.00 0.00 175.10 176.45 2jgi h ARG 13 N 2.06 0.00 -0.00 4.82 9.65 -1.94 1.12 114.38 130.09 2jgi h ARG 13 Ca -0.41 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 2jgi h ARG 13 Cb 1.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 2jgi h ARG 13 CO 0.72 0.00 -0.45 0.41 2.80 0.00 0.00 179.97 183.45 2jgi n GLY 14 N -1.64 -1.15 0.00 2.80 0.00 -1.26 -4.85 105.19 99.09 2jgi n GLY 14 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jgi n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgi n GLY 15 N 1.47 0.62 3.80 -0.02 0.00 0.39 -1.25 105.19 110.21 2jgi n GLY 15 Ca 0.07 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 2jgi n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jgi s GLN 16 N -1.13 4.14 0.09 1.61 -0.21 -1.24 -0.42 119.66 122.51 2jgi s GLN 16 Ca 0.00 0.56 0.09 0.00 0.02 0.00 0.00 55.36 56.03 2jgi s GLN 16 Cb 0.00 -3.28 -0.03 0.00 1.00 0.00 0.00 33.01 30.69 2jgi s GLN 16 CO 0.00 0.53 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.95 2jgi s LEU 17 N -0.64 2.26 -0.17 2.90 1.43 0.12 -0.27 118.68 124.30 2jgi s LEU 17 Ca 0.27 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2jgi s LEU 17 Cb -0.17 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.00 2jgi s LEU 17 CO 0.15 0.14 -0.20 -0.60 0.23 0.00 0.00 176.35 176.08 2jgi s ARG 18 N -1.73 3.02 0.00 1.70 3.52 0.46 -1.57 118.95 124.35 2jgi s ARG 18 Ca 0.10 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 2jgi s ARG 18 Cb -0.10 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.73 2jgi s ARG 18 CO 0.04 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 2jgi n GLY 19 N 4.51 1.40 2.94 8.12 0.00 0.18 -0.56 105.19 121.79 2jgi n GLY 19 Ca -0.21 -2.02 -0.17 0.00 0.00 0.00 0.00 46.02 43.62 2jgi n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jgi s ILE 20 N 0.96 0.47 -0.37 -0.61 2.07 -0.10 -4.80 121.20 118.82 2jgi s ILE 20 Ca 0.00 -0.19 -0.25 0.00 -1.41 0.00 0.00 60.65 58.79 2jgi s ILE 20 Cb 0.00 -0.44 0.01 0.00 0.13 0.00 0.00 42.46 42.17 2jgi s ILE 20 CO 0.00 0.16 0.91 -0.60 -1.91 0.00 0.00 174.94 173.50 2jgi s ARG 21 N 0.24 3.82 -0.00 3.50 3.52 -1.26 -0.79 118.95 127.97 2jgi s ARG 21 Ca -0.03 0.54 0.01 0.00 -0.13 0.00 0.00 55.73 56.12 2jgi s ARG 21 Cb -0.07 -3.81 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 2jgi s ARG 21 CO -0.00 -0.94 0.03 -0.51 -0.81 0.00 0.00 175.30 173.07 2jgi s LEU 22 N 3.43 3.67 -0.26 -0.88 1.43 0.74 -4.93 118.68 121.88 2jgi s LEU 22 Ca 0.37 0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.28 2jgi s LEU 22 Cb -0.12 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 2jgi s LEU 22 CO 0.19 0.28 0.83 -0.75 0.23 0.00 0.00 176.35 177.12 2jgi s LYS 23 N -1.63 4.12 0.27 1.70 2.47 -1.26 -0.64 119.74 124.76 2jgi s LYS 23 Ca 0.21 0.84 0.07 0.00 -1.56 0.00 0.00 55.97 55.53 2jgi s LYS 23 Cb -0.12 -3.67 -0.03 0.00 -1.46 0.00 0.00 37.83 32.55 2jgi s LYS 23 CO 0.12 -0.58 0.21 0.00 0.16 0.00 0.00 175.35 175.26 2jgi s ALA 24 N 2.91 3.62 0.19 3.13 0.00 -0.60 -4.94 121.76 126.07 2jgi s ALA 24 Ca 0.34 -1.47 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 2jgi s ALA 24 Cb -0.15 -1.26 0.09 0.00 0.00 0.00 0.00 23.12 21.80 2jgi s ALA 24 CO 0.09 0.20 1.56 -1.35 0.00 0.00 0.00 175.76 176.26 2jgi h PRO 25 N 1.45 -0.11 -0.54 0.00 0.11 -1.96 -2.56 132.00 128.39 2jgi h PRO 25 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jgi h PRO 25 Cb 1.24 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jgi h PRO 25 CO 0.60 -0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 2jgi n GLY 26 N -1.40 1.62 0.00 -0.55 0.00 -1.26 -5.02 105.19 98.57 2jgi n GLY 26 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2jgi n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgi n GLY 27 N 1.40 -0.90 3.86 -0.02 0.00 -0.96 -5.08 105.19 103.50 2jgi n GLY 27 Ca 0.19 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 2jgi n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jgi s PRO 28 N -1.69 3.83 0.14 1.61 0.04 -1.26 -1.55 135.00 136.11 2jgi s PRO 28 Ca 0.00 0.69 0.03 0.00 0.04 0.00 0.00 61.00 61.77 2jgi s PRO 28 Cb 0.00 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2jgi s PRO 28 CO 0.00 -0.18 -0.07 0.14 0.04 0.00 0.00 177.00 176.93 2jgi s VAL 29 N -2.55 0.95 -0.23 -0.36 -7.23 0.19 -3.82 120.40 107.35 2jgi s VAL 29 Ca 0.55 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.62 2jgi s VAL 29 Cb -0.10 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2jgi s VAL 29 CO 0.33 -0.75 0.10 -0.44 -0.31 0.00 0.00 175.10 174.04 2jgi s SER 30 N -3.13 5.67 -0.16 4.85 0.01 0.40 -0.19 113.70 121.15 2jgi s SER 30 Ca 0.16 0.00 0.01 0.00 1.31 0.00 0.00 55.95 57.43 2jgi s SER 30 Cb 0.04 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.27 2jgi s SER 30 CO -0.01 0.07 -0.17 0.00 0.41 0.00 0.00 173.24 173.54 2jgi s ALA 31 N 1.03 2.42 -0.38 1.44 0.00 0.03 -0.79 121.76 125.50 2jgi s ALA 31 Ca 0.05 -1.08 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 2jgi s ALA 31 Cb -0.14 -1.17 0.07 0.00 0.00 0.00 0.00 23.12 21.89 2jgi s ALA 31 CO 0.04 -0.07 0.16 -0.06 0.00 0.00 0.00 175.76 175.82 2jgi s PHE 32 N 0.88 3.36 -0.07 0.00 0.40 0.62 -0.92 117.98 122.25 2jgi s PHE 32 Ca -0.04 -1.77 0.02 0.00 -0.60 0.00 0.00 56.93 54.54 2jgi s PHE 32 Cb -0.15 -2.70 -0.02 0.00 0.51 0.00 0.00 43.02 40.66 2jgi s PHE 32 CO -0.02 -0.84 -0.14 -0.51 0.70 0.00 0.00 175.22 174.41 2jgi s LEU 33 N 1.32 2.73 -0.37 -0.37 1.43 0.96 0.02 118.68 124.40 2jgi s LEU 33 Ca 0.02 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2jgi s LEU 33 Cb -0.21 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2jgi s LEU 33 CO 0.00 0.29 0.04 0.61 0.23 0.00 0.00 176.35 177.52 2jgi n GLY 34 N 2.69 0.26 3.71 -3.19 0.00 -1.11 -3.59 105.19 103.96 2jgi n GLY 34 Ca -0.17 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2jgi n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jgi s ILE 35 N -2.36 3.31 0.09 -0.61 1.01 -0.73 -4.79 121.20 117.11 2jgi s ILE 35 Ca 0.02 0.88 -0.30 0.00 0.00 0.00 0.00 60.65 61.24 2jgi s ILE 35 Cb -0.01 -3.56 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 2jgi s ILE 35 CO 0.02 0.04 1.14 -2.16 0.00 0.00 0.00 174.94 173.98 2jgi s PRO 36 N 1.58 4.50 0.00 2.79 0.04 -1.26 0.15 135.00 142.80 2jgi s PRO 36 Ca 0.66 1.70 0.09 0.00 0.04 0.00 0.00 61.00 63.49 2jgi s PRO 36 Cb -0.37 -3.34 0.11 0.00 0.04 0.00 0.00 34.50 30.94 2jgi s PRO 36 CO 0.30 -0.12 0.88 1.97 0.04 0.00 0.00 177.00 180.06 2jgi n PHE 37 N 3.44 0.08 -3.56 0.56 1.16 -1.15 -4.88 117.46 113.11 2jgi n PHE 37 Ca 0.07 -0.11 -0.17 0.00 -1.87 0.00 0.00 57.45 55.36 2jgi n PHE 37 Cb 0.47 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.27 2jgi n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2jgi s ALA 38 N -0.79 -1.64 0.20 1.98 0.00 -1.25 -3.36 121.76 116.89 2jgi s ALA 38 Ca 0.12 1.22 -0.32 0.00 0.00 0.00 0.00 51.96 52.99 2jgi s ALA 38 Cb 0.08 -0.05 -0.11 0.00 0.00 0.00 0.00 23.12 23.04 2jgi s ALA 38 CO 0.11 -0.35 1.65 -1.21 0.00 0.00 0.00 175.76 175.96 2jgi s GLU 39 N -1.13 4.16 -0.05 0.00 0.41 -0.20 -4.61 118.70 117.27 2jgi s GLU 39 Ca -0.11 2.51 -0.36 0.00 -0.41 0.00 0.00 54.97 56.61 2jgi s GLU 39 Cb -0.01 -3.10 -0.14 0.00 -1.78 0.00 0.00 34.13 29.10 2jgi s GLU 39 CO 0.09 -0.69 1.72 -2.30 -0.49 0.00 0.00 175.26 173.59 2jgi n PRO 40 N 3.85 1.83 -0.69 0.39 -0.02 -1.26 -4.66 135.00 134.44 2jgi n PRO 40 Ca 0.15 0.67 -0.07 0.00 -2.02 0.00 0.00 63.50 62.22 2jgi n PRO 40 Cb 0.37 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.30 2jgi n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jgi n PRO 41 N 5.15 1.38 -2.86 0.52 -0.04 -1.26 -4.88 135.00 133.00 2jgi n PRO 41 Ca 0.22 -0.62 -0.19 0.00 -0.04 0.00 0.00 63.50 62.86 2jgi n PRO 41 Cb 0.25 -1.75 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 2jgi n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jgi s VAL 42 N 1.32 2.83 0.00 0.52 -7.23 -1.26 -3.23 120.40 113.35 2jgi s VAL 42 Ca 0.42 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 2jgi s VAL 42 Cb 0.20 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 34.18 2jgi s VAL 42 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2jgi n GLY 43 N -2.07 3.37 0.00 2.32 0.00 -1.26 -0.89 105.19 106.66 2jgi n GLY 43 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2jgi n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jgi n SER 44 N 3.72 0.00 0.00 1.61 3.41 -1.26 -1.71 113.62 119.39 2jgi n SER 44 Ca 0.00 0.21 0.11 0.00 -0.26 0.00 0.00 58.87 58.93 2jgi n SER 44 Cb 0.00 -0.21 0.09 0.00 -0.26 0.00 0.00 64.21 63.83 2jgi n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jgi n ARG 45 N -1.21 0.01 -1.88 4.33 5.12 -0.07 -4.87 116.66 118.08 2jgi n ARG 45 Ca 0.00 -0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.51 2jgi n ARG 45 Cb 0.00 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.78 2jgi n ARG 45 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2jgi s ARG 46 N -3.00 4.18 0.00 5.56 3.52 -0.69 -1.39 118.95 127.13 2jgi s ARG 46 Ca 0.10 2.46 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 2jgi s ARG 46 Cb 0.17 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 2jgi s ARG 46 CO 0.77 -0.52 0.00 1.19 -0.81 0.00 0.00 175.30 175.94 2jgi n PHE 47 N 1.81 0.00 -3.57 5.12 3.72 -1.26 -4.95 117.46 118.33 2jgi n PHE 47 Ca 0.06 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.16 2jgi n PHE 47 Cb 0.39 -0.20 -0.04 0.00 -0.94 0.00 0.00 39.48 38.69 2jgi n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2jgi s MET 48 N -0.04 3.62 0.69 -1.08 -1.94 -0.49 -4.30 119.30 115.77 2jgi s MET 48 Ca 0.00 -0.09 -0.17 0.00 -1.71 0.00 0.00 55.69 53.73 2jgi s MET 48 Cb 0.00 -2.78 0.01 0.00 2.01 0.00 0.00 34.83 34.07 2jgi s MET 48 CO 0.00 0.38 1.17 -2.30 -0.01 0.00 0.00 175.02 174.25 2jgi n PRO 49 N -0.34 0.78 -2.40 2.03 -0.02 -1.26 -4.92 135.00 128.86 2jgi n PRO 49 Ca -0.02 0.33 -0.37 0.00 -2.02 0.00 0.00 63.50 61.41 2jgi n PRO 49 Cb 0.53 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 2jgi n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jgi s PRO 50 N -3.43 3.99 -0.14 0.52 0.04 -1.26 -5.03 135.00 129.67 2jgi s PRO 50 Ca 0.78 1.65 -0.07 0.00 0.04 0.00 0.00 61.00 63.40 2jgi s PRO 50 Cb -0.36 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 2jgi s PRO 50 CO 0.45 -0.33 0.10 -1.21 0.04 0.00 0.00 177.00 176.05 2jgi s GLU 51 N -2.57 3.64 0.34 4.56 2.02 -1.26 -5.03 118.70 120.40 2jgi s GLU 51 Ca 0.60 -0.23 -0.25 0.00 0.02 0.00 0.00 54.97 55.11 2jgi s GLU 51 Cb -0.25 -3.19 -0.14 0.00 0.10 0.00 0.00 34.13 30.65 2jgi s GLU 51 CO 0.31 0.56 0.69 -0.35 0.02 0.00 0.00 175.26 176.50 2jgi n PRO 52 N 2.65 0.72 -2.13 0.39 -0.04 -1.26 -1.04 135.00 134.29 2jgi n PRO 52 Ca -0.18 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 2jgi n PRO 52 Cb 0.54 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2jgi n PRO 52 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jgi s LYS 53 N -1.46 4.26 0.14 0.54 2.47 -1.21 -4.12 119.74 120.35 2jgi s LYS 53 Ca 0.62 2.09 -0.30 0.00 -1.56 0.00 0.00 55.97 56.81 2jgi s LYS 53 Cb -0.70 -3.53 -0.07 0.00 -1.46 0.00 0.00 37.83 32.08 2jgi s LYS 53 CO 0.58 -0.60 1.18 1.03 0.16 0.00 0.00 175.35 177.71 2jgi s ARG 54 N 2.26 4.49 0.24 4.03 0.52 -1.26 -4.89 118.95 124.33 2jgi s ARG 54 Ca 0.67 1.81 -0.30 0.00 -0.52 0.00 0.00 55.73 57.38 2jgi s ARG 54 Cb -0.35 -3.29 -0.15 0.00 0.52 0.00 0.00 34.95 31.69 2jgi s ARG 54 CO 0.29 -0.13 1.10 -2.30 0.02 0.00 0.00 175.30 174.27 2jgi n PRO 55 N 3.05 1.33 -3.04 3.54 -0.02 -1.26 -5.00 135.00 133.59 2jgi n PRO 55 Ca 0.06 0.47 -0.17 0.00 -2.02 0.00 0.00 63.50 61.83 2jgi n PRO 55 Cb 0.46 -1.91 0.01 0.00 -0.02 0.00 0.00 33.50 32.04 2jgi n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2jgi s TRP 56 N -0.65 2.69 0.18 6.00 -2.14 -0.38 -5.03 118.94 119.62 2jgi s TRP 56 Ca 0.65 -0.43 0.08 0.00 2.66 0.00 0.00 56.10 59.05 2jgi s TRP 56 Cb -0.75 -2.35 -0.04 0.00 -3.10 0.00 0.00 33.47 27.22 2jgi s TRP 56 CO 0.56 -0.47 -0.02 -1.54 -2.66 0.00 0.00 176.95 172.83 2jgi s SER 57 N -4.36 4.65 0.22 -2.66 1.04 -1.26 -4.67 113.70 106.66 2jgi s SER 57 Ca 0.55 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2jgi s SER 57 Cb -0.09 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.08 2jgi s SER 57 CO 0.33 0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.25 2jgi n GLY 58 N -0.16 -0.86 3.75 7.32 0.00 -1.26 -4.80 105.19 109.18 2jgi n GLY 58 Ca -0.10 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 2jgi n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgi s VAL 59 N 0.00 5.21 -0.12 1.61 1.01 -1.26 -3.68 120.40 123.17 2jgi s VAL 59 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 2jgi s VAL 59 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2jgi s VAL 59 CO 0.00 0.51 0.44 -0.22 0.00 0.00 0.00 175.10 175.83 2jgi s LEU 60 N -0.16 4.28 -0.45 3.92 2.96 0.63 -4.92 118.68 124.93 2jgi s LEU 60 Ca 0.09 0.76 -0.28 0.00 -0.22 0.00 0.00 54.13 54.48 2jgi s LEU 60 Cb -0.12 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 43.96 2jgi s LEU 60 CO 0.01 0.03 1.46 -0.62 -1.32 0.00 0.00 176.35 175.91 2jgi s ASP 61 N 0.52 6.20 -0.62 3.68 -1.08 -1.26 -0.40 116.67 123.71 2jgi s ASP 61 Ca 0.24 0.71 0.03 0.00 -0.52 0.00 0.00 52.55 53.00 2jgi s ASP 61 Cb -0.15 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.15 2jgi s ASP 61 CO 0.09 -1.57 1.39 0.00 0.52 0.00 0.00 175.17 175.60 2jgi n ALA 62 N 9.30 5.48 0.33 3.66 0.00 0.28 -4.67 120.51 134.90 2jgi n ALA 62 Ca 0.16 -4.36 0.04 0.00 0.00 0.00 0.00 53.44 49.29 2jgi n ALA 62 Cb 0.48 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2jgi n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jgi n THR 63 N -0.43 0.00 -4.09 0.00 -2.24 -1.24 -0.03 114.28 106.26 2jgi n THR 63 Ca 0.42 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.78 2jgi n THR 63 Cb 0.47 0.91 -0.12 0.00 -2.10 0.00 0.00 70.33 69.49 2jgi n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jgi s THR 64 N -1.88 0.55 0.48 4.28 -4.23 -1.26 -4.84 115.64 108.74 2jgi s THR 64 Ca 0.02 -0.96 -0.24 0.00 -1.18 0.00 0.00 61.69 59.33 2jgi s THR 64 Cb 0.06 -0.60 -0.07 0.00 1.34 0.00 0.00 72.50 73.23 2jgi s THR 64 CO 0.34 -0.30 1.40 0.49 -0.54 0.00 0.00 174.62 176.02 2jgi n PHE 65 N 1.68 2.55 -2.46 3.99 3.72 -1.26 -3.68 117.46 121.99 2jgi n PHE 65 Ca -0.21 0.44 -0.10 0.00 -0.05 0.00 0.00 57.45 57.52 2jgi n PHE 65 Cb 0.55 -2.43 0.05 0.00 -0.94 0.00 0.00 39.48 36.72 2jgi n PHE 65 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2jgi n GLN 66 N -0.43 0.33 -1.65 -1.08 1.13 -1.26 -4.91 117.38 109.50 2jgi n GLN 66 Ca 0.07 -1.25 -0.37 0.00 -1.94 0.00 0.00 57.00 53.51 2jgi n GLN 66 Cb 0.42 -0.29 0.07 0.00 0.11 0.00 0.00 30.24 30.55 2jgi n GLN 66 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2jgi n ASN 67 N -2.94 1.51 -4.85 1.08 3.02 -1.26 -4.78 115.26 107.04 2jgi n ASN 67 Ca 0.08 0.80 -0.36 0.00 -0.03 0.00 0.00 54.58 55.07 2jgi n ASN 67 Cb 0.27 -1.49 -0.06 0.00 -0.61 0.00 0.00 39.78 37.89 2jgi n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jgi s VAL 68 N -1.47 5.06 0.50 2.41 1.01 -0.23 -4.65 120.40 123.03 2jgi s VAL 68 Ca 0.80 0.62 -0.23 0.00 0.00 0.00 0.00 61.98 63.17 2jgi s VAL 68 Cb -0.39 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 2jgi s VAL 68 CO 0.43 0.41 1.36 0.00 0.00 0.00 0.00 175.10 177.30 2jgi n TYR 70 N -0.68 2.61 -3.86 0.00 9.36 -1.15 -4.67 117.16 118.76 2jgi n TYR 70 Ca 0.08 -0.24 -0.10 0.00 3.32 0.00 0.00 57.90 60.96 2jgi n TYR 70 Cb 0.44 -2.76 -0.06 0.00 -0.63 0.00 0.00 39.34 36.33 2jgi n TYR 70 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 2jgi s GLN 71 N 3.33 1.19 0.10 2.98 -2.07 -1.26 -4.70 119.66 119.23 2jgi s GLN 71 Ca 0.84 -1.03 -0.31 0.00 -1.82 0.00 0.00 55.36 53.04 2jgi s GLN 71 Cb -0.46 0.42 -0.08 0.00 -1.09 0.00 0.00 33.01 31.81 2jgi s GLN 71 CO 0.39 -0.46 1.44 -0.47 -1.32 0.00 0.00 175.29 174.87 2jgi s TYR 72 N -3.92 3.07 -0.16 9.60 6.14 -1.26 -5.02 117.35 125.80 2jgi s TYR 72 Ca 0.13 0.82 -0.17 0.00 0.64 0.00 0.00 57.07 58.49 2jgi s TYR 72 Cb 0.02 -3.74 -0.04 0.00 0.42 0.00 0.00 41.96 38.62 2jgi s TYR 72 CO -0.02 -2.67 0.45 0.08 0.64 0.00 0.00 175.55 174.02 2jgi s VAL 73 N 1.49 5.18 0.27 3.14 1.01 -1.26 -4.90 120.40 125.33 2jgi s VAL 73 Ca 0.66 0.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.20 2jgi s VAL 73 Cb -0.37 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 2jgi s VAL 73 CO 0.30 0.28 1.22 -0.62 0.00 0.00 0.00 175.10 176.28 2jgi s ASP 74 N 0.83 7.01 -0.01 3.32 2.15 -1.26 -4.94 116.67 123.77 2jgi s ASP 74 Ca 0.23 2.44 0.01 0.00 0.43 0.00 0.00 52.55 55.66 2jgi s ASP 74 Cb -0.15 -2.63 0.02 0.00 -0.30 0.00 0.00 42.92 39.87 2jgi s ASP 74 CO 0.09 -0.38 1.00 0.35 -0.17 0.00 0.00 175.17 176.07 2jgi n THR 75 N 1.49 0.15 -0.10 1.71 -2.24 -1.26 -4.87 114.28 109.15 2jgi n THR 75 Ca 0.01 -0.18 -0.05 0.00 -2.27 0.00 0.00 64.05 61.56 2jgi n THR 75 Cb 0.43 0.45 0.01 0.00 -2.10 0.00 0.00 70.33 69.13 2jgi n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jgi h LEU 76 N 0.00 -0.21 -6.77 3.22 5.85 -2.02 -3.35 115.31 112.03 2jgi h LEU 76 Ca 0.00 0.09 -0.60 0.00 0.84 0.00 0.00 57.88 58.21 2jgi h LEU 76 Cb 1.36 0.17 -0.40 0.00 0.37 0.00 0.00 40.66 42.17 2jgi h LEU 76 CO 0.00 -0.07 -0.79 -0.31 -0.34 0.00 0.00 178.44 176.93 2jgi s TYR 77 N -6.19 1.93 0.19 1.25 2.02 -1.26 -5.12 117.35 110.17 2jgi s TYR 77 Ca -0.14 -2.53 -0.32 0.00 -0.37 0.00 0.00 57.07 53.72 2jgi s TYR 77 Cb 0.13 -1.66 -0.15 0.00 -0.40 0.00 0.00 41.96 39.88 2jgi s TYR 77 CO 0.70 -0.75 1.14 -2.30 -1.57 0.00 0.00 175.55 172.78 2jgi n PRO 78 N 3.00 1.21 0.00 -1.71 -0.02 -1.26 -2.24 135.00 133.99 2jgi n PRO 78 Ca 0.18 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2jgi n PRO 78 Cb 0.39 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2jgi n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgi n GLY 79 N 1.89 2.96 3.60 -1.23 0.00 -1.26 -4.99 105.19 106.17 2jgi n GLY 79 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2jgi n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jgi s PHE 80 N -1.02 2.53 0.47 1.61 5.36 -0.95 -4.88 117.98 121.09 2jgi s PHE 80 Ca 0.00 0.69 0.33 0.00 -0.96 0.00 0.00 56.93 56.98 2jgi s PHE 80 Cb 0.00 -4.34 1.44 0.00 -0.34 0.00 0.00 43.02 39.78 2jgi s PHE 80 CO 0.00 -1.76 1.68 1.49 -1.46 0.00 0.00 175.22 175.17 2jgi h GLU 81 N 10.23 0.11 -0.58 10.12 4.57 -1.94 -0.22 114.58 136.87 2jgi h GLU 81 Ca -0.26 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2jgi h GLU 81 Cb 1.09 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 2jgi h GLU 81 CO 1.10 0.07 0.35 0.78 -1.18 0.00 0.00 179.01 180.13 2jgi h GLY 82 N 0.12 0.83 0.00 1.92 0.00 -1.90 -2.26 103.07 101.77 2jgi h GLY 82 Ca 0.74 -0.34 -0.35 0.00 0.00 0.00 0.00 47.33 47.38 2jgi h GLY 82 CO -0.24 0.33 -2.34 -1.30 0.00 0.00 0.00 176.54 172.99 2jgi n THR 83 N -4.42 1.35 0.06 4.70 -2.24 -0.53 -4.53 114.28 108.68 2jgi n THR 83 Ca 0.05 -0.60 0.04 0.00 -2.27 0.00 0.00 64.05 61.27 2jgi n THR 83 Cb 0.07 -1.10 0.43 0.00 -2.10 0.00 0.00 70.33 67.63 2jgi n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jgi h GLU 84 N 0.00 0.39 -0.34 -0.78 4.39 -1.05 -2.31 114.58 114.88 2jgi h GLU 84 Ca -0.53 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.23 2jgi h GLU 84 Cb 1.92 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.48 2jgi h GLU 84 CO -0.05 0.34 0.33 0.00 -1.16 0.00 0.00 179.01 178.46 2jgi h MET 85 N 0.40 0.00 0.00 2.33 -0.00 -1.64 0.24 114.93 116.25 2jgi h MET 85 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.80 2jgi h MET 85 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.69 2jgi h MET 85 CO -0.01 0.00 -0.72 0.91 -0.00 0.00 0.00 176.91 177.09 2jgi n TRP 86 N -3.93 0.16 -2.43 -0.10 7.02 -0.87 -4.74 117.44 112.54 2jgi n TRP 86 Ca 0.06 0.05 -0.34 0.00 -1.02 0.00 0.00 57.50 56.24 2jgi n TRP 86 Cb 0.49 -0.33 -0.02 0.00 -2.42 0.00 0.00 31.31 29.03 2jgi n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2jgi s ASN 87 N -3.44 6.19 0.25 -0.99 0.01 0.83 -4.74 114.94 113.05 2jgi s ASN 87 Ca 0.08 1.94 -0.29 0.00 -0.71 0.00 0.00 52.86 53.87 2jgi s ASN 87 Cb 0.16 -2.56 -0.15 0.00 0.41 0.00 0.00 41.25 39.11 2jgi s ASN 87 CO 0.75 -0.89 1.01 -2.65 -1.51 0.00 0.00 177.10 173.82 2jgi n PRO 88 N -1.17 1.19 -0.10 -0.60 -0.02 -1.26 -4.90 135.00 128.13 2jgi n PRO 88 Ca 0.09 0.42 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 2jgi n PRO 88 Cb 0.52 -1.79 0.10 0.00 -0.02 0.00 0.00 33.50 32.31 2jgi n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jgi n ASN 89 N 1.52 1.98 -3.25 2.55 6.94 -1.26 -5.00 115.26 118.75 2jgi n ASN 89 Ca 0.12 -2.72 -0.19 0.00 -0.02 0.00 0.00 54.58 51.77 2jgi n ASN 89 Cb 0.29 -0.31 -0.07 0.00 -2.36 0.00 0.00 39.78 37.32 2jgi n ASN 89 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2jgi n ARG 90 N -1.08 0.45 -2.01 -3.83 5.12 -1.26 -5.06 116.66 108.99 2jgi n ARG 90 Ca 0.11 -3.34 -0.39 0.00 -1.93 0.00 0.00 57.85 52.30 2jgi n ARG 90 Cb 0.57 2.79 0.00 0.00 -1.16 0.00 0.00 32.46 34.66 2jgi n ARG 90 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2jgi s GLU 91 N -3.32 3.87 0.11 5.56 2.12 -1.26 -4.58 118.70 121.20 2jgi s GLU 91 Ca 0.40 2.19 -0.28 0.00 0.36 0.00 0.00 54.97 57.64 2jgi s GLU 91 Cb 0.02 -2.70 -0.06 0.00 0.26 0.00 0.00 34.13 31.64 2jgi s GLU 91 CO 0.28 -0.58 0.87 -0.51 -0.54 0.00 0.00 175.26 174.78 2jgi s LEU 92 N -2.55 4.51 -0.16 2.70 1.43 -1.26 -1.07 118.68 122.27 2jgi s LEU 92 Ca 0.58 1.68 -0.29 0.00 -1.03 0.00 0.00 54.13 55.08 2jgi s LEU 92 Cb -0.39 -3.44 0.10 0.00 0.03 0.00 0.00 46.19 42.49 2jgi s LEU 92 CO 0.49 0.02 0.87 -0.55 0.23 0.00 0.00 176.35 177.41 2jgi s SER 93 N -0.28 -0.53 0.41 2.29 0.15 -0.74 -4.91 113.70 110.08 2jgi s SER 93 Ca 0.42 0.73 0.13 0.00 0.70 0.00 0.00 55.95 57.93 2jgi s SER 93 Cb -0.23 0.64 0.86 0.00 -1.71 0.00 0.00 66.02 65.58 2jgi s SER 93 CO 0.27 -0.38 1.92 -0.33 1.20 0.00 0.00 173.24 175.93 2jgi h GLU 94 N 3.32 0.05 -5.93 5.44 5.08 -1.95 -3.03 114.58 117.56 2jgi h GLU 94 Ca -0.24 -0.01 -0.48 0.00 -1.00 0.00 0.00 59.36 57.62 2jgi h GLU 94 Cb 1.16 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 2jgi h GLU 94 CO 0.26 0.29 1.25 0.34 -1.00 0.00 0.00 179.01 180.15 2jgi s ASP 95 N -6.96 5.98 0.00 1.42 2.15 -1.26 -4.26 116.67 113.74 2jgi s ASP 95 Ca -0.04 -1.23 0.00 0.00 0.43 0.00 0.00 52.55 51.71 2jgi s ASP 95 Cb 0.15 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2jgi s ASP 95 CO 0.71 -1.99 0.17 0.00 -0.17 0.00 0.00 175.17 173.89 2jgi s LEU 97 N 0.00 4.08 0.12 0.00 1.43 -1.26 -4.67 118.68 118.37 2jgi s LEU 97 Ca 0.00 -2.18 0.04 0.00 -1.03 0.00 0.00 54.13 50.96 2jgi s LEU 97 Cb 0.00 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 2jgi s LEU 97 CO 0.00 -1.19 -0.09 -0.31 0.23 0.00 0.00 176.35 174.98 2jgi s TYR 98 N 3.85 1.13 0.20 0.29 2.02 -1.26 -2.96 117.35 120.62 2jgi s TYR 98 Ca 0.47 -0.77 0.05 0.00 -0.37 0.00 0.00 57.07 56.45 2jgi s TYR 98 Cb 0.01 -0.60 -0.05 0.00 -0.40 0.00 0.00 41.96 40.92 2jgi s TYR 98 CO -0.01 0.01 -0.06 -0.48 -1.57 0.00 0.00 175.55 173.44 2jgi s LEU 99 N -2.95 2.39 0.06 -1.29 0.05 0.12 -1.26 118.68 115.81 2jgi s LEU 99 Ca 0.13 -1.11 0.08 0.00 0.05 0.00 0.00 54.13 53.27 2jgi s LEU 99 Cb 0.02 -0.37 -0.03 0.00 -2.05 0.00 0.00 46.19 43.76 2jgi s LEU 99 CO -0.01 -0.39 -0.22 0.20 -0.55 0.00 0.00 176.35 175.38 2jgi s ASN 100 N -3.26 2.66 -0.06 1.48 0.01 0.17 -1.77 114.94 114.16 2jgi s ASN 100 Ca 0.23 -0.59 0.01 0.00 -0.71 0.00 0.00 52.86 51.80 2jgi s ASN 100 Cb 0.04 -0.20 0.02 0.00 0.41 0.00 0.00 41.25 41.51 2jgi s ASN 100 CO 0.05 0.15 -0.08 -0.69 -1.51 0.00 0.00 177.10 175.03 2jgi s VAL 101 N -0.91 0.83 -0.15 1.60 1.01 0.10 -1.75 120.40 121.14 2jgi s VAL 101 Ca 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 2jgi s VAL 101 Cb -0.09 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 2jgi s VAL 101 CO 0.03 0.30 -0.13 0.26 0.00 0.00 0.00 175.10 175.55 2jgi s TRP 102 N 0.99 2.81 0.14 5.22 0.51 0.11 -0.28 118.94 128.44 2jgi s TRP 102 Ca -0.09 -0.82 0.04 0.00 -2.12 0.00 0.00 56.10 53.11 2jgi s TRP 102 Cb -0.15 -1.88 -0.04 0.00 -0.81 0.00 0.00 33.47 30.59 2jgi s TRP 102 CO 0.00 -0.34 -0.10 0.95 -0.51 0.00 0.00 176.95 176.95 2jgi s THR 103 N 0.63 1.12 0.97 2.01 -4.23 0.03 -0.90 115.64 115.27 2jgi s THR 103 Ca -0.07 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.30 2jgi s THR 103 Cb -0.16 -1.78 0.04 0.00 1.34 0.00 0.00 72.50 71.95 2jgi s THR 103 CO 0.03 -0.73 0.34 -2.65 -0.54 0.00 0.00 174.62 171.07 2jgi n PRO 104 N -0.10 -0.47 -3.92 3.99 -0.02 -1.26 -0.45 135.00 132.77 2jgi n PRO 104 Ca -0.11 -0.10 -0.28 0.00 -2.02 0.00 0.00 63.50 60.99 2jgi n PRO 104 Cb 0.60 -1.83 -0.17 0.00 -0.02 0.00 0.00 33.50 32.09 2jgi n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jgi s TYR 105 N -2.37 1.74 0.85 6.00 5.04 -1.25 -2.63 117.35 124.73 2jgi s TYR 105 Ca 0.57 -1.03 -0.11 0.00 -2.44 0.00 0.00 57.07 54.06 2jgi s TYR 105 Cb -0.20 -1.34 0.10 0.00 0.35 0.00 0.00 41.96 40.87 2jgi s TYR 105 CO 0.67 -0.60 1.10 -1.25 -1.34 0.00 0.00 175.55 174.13 2jgi s PRO 106 N 1.62 1.63 0.33 4.97 0.04 -1.26 -4.80 135.00 137.53 2jgi s PRO 106 Ca 0.02 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 2jgi s PRO 106 Cb -0.14 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 2jgi s PRO 106 CO -0.08 -2.05 1.52 1.03 0.04 0.00 0.00 177.00 177.45 2jgi s ARG 107 N -4.87 4.14 0.80 4.56 0.52 -1.08 -4.93 118.95 118.10 2jgi s ARG 107 Ca 0.63 2.54 -0.11 0.00 -0.52 0.00 0.00 55.73 58.27 2jgi s ARG 107 Cb -0.18 -3.01 0.07 0.00 0.52 0.00 0.00 34.95 32.36 2jgi s ARG 107 CO 0.57 -0.55 1.09 -1.25 0.02 0.00 0.00 175.30 175.18 2jgi s PRO 108 N -1.30 2.02 -0.08 3.54 0.04 -1.26 -5.01 135.00 132.95 2jgi s PRO 108 Ca 0.57 0.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 2jgi s PRO 108 Cb -0.46 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 2jgi s PRO 108 CO 0.55 -1.70 0.40 0.00 0.04 0.00 0.00 177.00 176.29 2jgi h ALA 109 N -1.15 -0.15 -2.32 8.56 0.00 -1.94 -3.46 119.26 118.79 2jgi h ALA 109 Ca -0.47 -0.14 -0.50 0.00 0.00 0.00 0.00 54.91 53.81 2jgi h ALA 109 Cb 1.26 0.06 0.07 0.00 0.00 0.00 0.00 17.79 19.17 2jgi h ALA 109 CO 0.57 -0.16 0.39 -1.54 0.00 0.00 0.00 179.25 178.50 2jgi s SER 110 N -5.50 5.92 -0.09 0.00 1.04 -1.26 -5.00 113.70 108.81 2jgi s SER 110 Ca -0.07 1.58 -0.30 0.00 0.48 0.00 0.00 55.95 57.65 2jgi s SER 110 Cb -0.00 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.60 2jgi s SER 110 CO 0.23 -1.07 1.19 -2.84 0.98 0.00 0.00 173.24 171.73 2jgi s PRO 111 N -4.74 4.33 0.16 4.02 0.02 -1.26 -4.94 135.00 132.59 2jgi s PRO 111 Ca 0.58 1.63 -0.13 0.00 0.02 0.00 0.00 61.00 63.10 2jgi s PRO 111 Cb -0.13 -3.60 -0.07 0.00 0.02 0.00 0.00 34.50 30.72 2jgi s PRO 111 CO 0.47 -0.50 0.54 0.95 -0.33 0.00 0.00 177.00 178.13 2jgi s THR 112 N 2.52 4.90 0.36 0.99 -4.23 -0.58 -4.61 115.64 114.98 2jgi s THR 112 Ca 0.54 0.70 -0.28 0.00 -1.18 0.00 0.00 61.69 61.47 2jgi s THR 112 Cb -0.23 -3.69 -0.11 0.00 1.34 0.00 0.00 72.50 69.81 2jgi s THR 112 CO 0.19 0.16 1.51 -2.84 -0.54 0.00 0.00 174.62 173.10 2jgi s PRO 113 N -2.20 4.11 -0.10 3.99 0.02 -1.26 -0.27 135.00 139.30 2jgi s PRO 113 Ca 0.40 2.57 -0.07 0.00 0.02 0.00 0.00 61.00 63.93 2jgi s PRO 113 Cb -0.14 -2.98 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 2jgi s PRO 113 CO 0.20 -0.56 0.16 0.08 -0.33 0.00 0.00 177.00 176.55 2jgi s VAL 114 N -0.86 5.47 -0.14 3.83 1.01 0.12 -3.51 120.40 126.32 2jgi s VAL 114 Ca 0.55 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.75 2jgi s VAL 114 Cb -0.47 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.49 2jgi s VAL 114 CO 0.60 0.57 -0.20 -0.76 0.00 0.00 0.00 175.10 175.31 2jgi s LEU 115 N -1.17 2.02 -0.18 3.92 1.43 0.03 -1.16 118.68 123.57 2jgi s LEU 115 Ca 0.17 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2jgi s LEU 115 Cb -0.12 -1.37 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 2jgi s LEU 115 CO 0.07 0.05 -0.11 -0.63 0.23 0.00 0.00 176.35 175.95 2jgi s ILE 116 N 0.98 2.93 -0.19 -0.59 1.01 0.03 -0.90 121.20 124.47 2jgi s ILE 116 Ca -0.04 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 2jgi s ILE 116 Cb -0.15 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2jgi s ILE 116 CO -0.04 0.48 0.07 0.86 0.00 0.00 0.00 174.94 176.31 2jgi s TRP 117 N 1.07 3.27 -0.27 3.97 -0.11 0.95 -0.45 118.94 127.37 2jgi s TRP 117 Ca -0.00 0.10 -0.04 0.00 1.22 0.00 0.00 56.10 57.38 2jgi s TRP 117 Cb -0.15 -2.09 0.02 0.00 -1.50 0.00 0.00 33.47 29.75 2jgi s TRP 117 CO -0.02 0.16 0.01 0.42 -4.62 0.00 0.00 176.95 172.90 2jgi s ILE 118 N 0.40 3.41 0.77 5.86 1.01 0.00 -3.68 121.20 128.97 2jgi s ILE 118 Ca 0.04 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 2jgi s ILE 118 Cb -0.12 -2.75 0.05 0.00 0.01 0.00 0.00 42.46 39.65 2jgi s ILE 118 CO -0.00 0.13 1.08 -0.72 0.00 0.00 0.00 174.94 175.43 2jgi s TYR 119 N 1.41 2.76 0.00 3.97 -0.85 -1.26 -3.43 117.35 119.95 2jgi s TYR 119 Ca 0.01 1.39 0.00 0.00 -0.52 0.00 0.00 57.07 57.95 2jgi s TYR 119 Cb -0.17 -3.02 0.00 0.00 0.38 0.00 0.00 41.96 39.15 2jgi s TYR 119 CO -0.01 -1.70 0.00 0.41 -1.52 0.00 0.00 175.55 172.73 2jgi n GLY 120 N -1.62 2.00 0.00 5.49 0.00 -1.18 -2.93 105.19 106.95 2jgi n GLY 120 Ca 0.08 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2jgi n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgi n GLY 121 N 5.00 1.07 2.11 -0.02 0.00 -1.25 -4.25 105.19 107.84 2jgi n GLY 121 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2jgi n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgi n GLY 122 N 0.00 1.29 2.76 -0.02 0.00 -1.26 -1.26 105.19 106.71 2jgi n GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jgi n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgi n PHE 123 N -1.91 0.00 0.20 1.61 3.72 -1.26 -4.82 117.46 115.00 2jgi n PHE 123 Ca -0.14 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.29 2jgi n PHE 123 Cb 0.46 -1.08 -0.00 0.00 -0.94 0.00 0.00 39.48 37.92 2jgi n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2jgi n TYR 124 N -2.35 0.00 -3.59 1.38 0.18 -0.39 0.42 117.16 112.81 2jgi n TYR 124 Ca 0.00 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.71 2jgi n TYR 124 Cb 0.23 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.17 2jgi n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2jgi s SER 125 N -0.86 -0.32 0.00 9.48 1.04 -0.74 -4.02 113.70 118.28 2jgi s SER 125 Ca 0.04 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2jgi s SER 125 Cb 0.04 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2jgi s SER 125 CO 0.11 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2jgi n GLY 126 N -0.34 3.94 3.39 7.32 0.00 -1.26 -3.93 105.19 114.31 2jgi n GLY 126 Ca -0.09 -1.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 2jgi n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgi s ALA 127 N -2.24 -1.25 -1.39 4.61 0.00 -1.26 -4.60 121.76 115.62 2jgi s ALA 127 Ca 0.00 1.03 0.25 0.00 0.00 0.00 0.00 51.96 53.24 2jgi s ALA 127 Cb 0.00 -0.29 1.22 0.00 0.00 0.00 0.00 23.12 24.06 2jgi s ALA 127 CO 0.00 -0.29 1.82 0.00 0.00 0.00 0.00 175.76 177.29 2jgi n ALA 128 N 1.73 2.23 0.95 0.00 0.00 -1.26 -3.73 120.51 120.44 2jgi n ALA 128 Ca -0.18 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.26 2jgi n ALA 128 Cb 0.56 -1.40 0.17 0.00 0.00 0.00 0.00 19.45 18.79 2jgi n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jgi n SER 129 N -1.30 0.60 -4.64 0.00 3.41 -1.26 -4.80 113.62 105.62 2jgi n SER 129 Ca 0.11 -0.36 -0.40 0.00 -0.26 0.00 0.00 58.87 57.97 2jgi n SER 129 Cb 0.20 0.41 0.03 0.00 -0.26 0.00 0.00 64.21 64.59 2jgi n SER 129 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgi n LEU 130 N -1.56 3.51 -0.17 1.04 4.77 -1.24 -4.88 117.00 118.46 2jgi n LEU 130 Ca 0.05 0.97 0.12 0.00 -0.03 0.00 0.00 56.01 57.12 2jgi n LEU 130 Cb 0.35 -1.42 0.44 0.00 -2.33 0.00 0.00 43.42 40.46 2jgi n LEU 130 CO 0.37 -1.35 1.21 0.44 -1.33 0.00 0.00 177.39 176.73 2jgi h ASP 131 N 1.31 0.51 0.31 -1.43 3.32 -1.92 -1.30 116.42 117.22 2jgi h ASP 131 Ca -0.47 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2jgi h ASP 131 Cb 1.33 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2jgi h ASP 131 CO 0.56 0.29 0.00 1.33 -1.72 0.00 0.00 179.24 179.69 2jgi n VAL 132 N -4.49 0.29 -1.38 -1.35 0.24 -1.26 -2.50 118.33 107.88 2jgi n VAL 132 Ca 0.13 0.07 -0.05 0.00 -2.04 0.00 0.00 64.34 62.46 2jgi n VAL 132 Cb 0.41 -0.73 0.21 0.00 -1.47 0.00 0.00 33.84 32.25 2jgi n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgi n TYR 133 N -1.23 1.27 -2.19 6.34 4.01 -0.49 -4.57 117.16 120.30 2jgi n TYR 133 Ca 0.11 -1.54 -0.43 0.00 -0.16 0.00 0.00 57.90 55.88 2jgi n TYR 133 Cb 0.15 -0.52 -0.02 0.00 -0.31 0.00 0.00 39.34 38.63 2jgi n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jgi s ASP 134 N -2.34 6.79 0.00 7.72 -1.08 -1.04 -4.89 116.67 121.83 2jgi s ASP 134 Ca 0.46 2.01 0.28 0.00 -0.52 0.00 0.00 52.55 54.77 2jgi s ASP 134 Cb 0.41 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 40.46 2jgi s ASP 134 CO 0.02 -0.85 1.83 0.61 0.52 0.00 0.00 175.17 177.30 2jgi n GLY 135 N 3.89 -1.30 0.27 2.66 0.00 -1.26 -4.24 105.19 105.21 2jgi n GLY 135 Ca 0.16 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 46.02 2jgi n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jgi h ARG 136 N 0.12 0.51 -0.08 1.61 0.11 -1.90 0.85 114.38 115.60 2jgi h ARG 136 Ca 0.00 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.03 2jgi h ARG 136 Cb 0.44 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.40 2jgi h ARG 136 CO 0.00 0.34 -0.04 0.74 0.10 0.00 0.00 179.97 181.11 2jgi h PHE 137 N 0.53 0.20 -1.00 4.08 0.04 -1.77 0.14 116.94 119.16 2jgi h PHE 137 Ca 0.39 -0.05 0.04 0.00 2.80 0.00 0.00 57.97 61.15 2jgi h PHE 137 Cb 0.51 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 38.55 2jgi h PHE 137 CO -0.13 0.53 0.65 -0.07 -0.60 0.00 0.00 178.31 178.69 2jgi h LEU 138 N -0.19 1.08 0.02 1.54 3.38 -1.62 -0.47 115.31 119.05 2jgi h LEU 138 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jgi h LEU 138 Cb 0.48 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2jgi h LEU 138 CO 0.01 0.73 -0.01 0.00 0.09 0.00 0.00 178.44 179.26 2jgi h ALA 139 N 1.43 -0.03 0.29 1.53 0.00 -0.44 -2.10 119.26 119.94 2jgi h ALA 139 Ca 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2jgi h ALA 139 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jgi h ALA 139 CO -0.13 -0.44 -0.14 0.37 0.00 0.00 0.00 179.25 178.90 2jgi h GLN 140 N -0.18 -0.38 -0.21 0.00 -0.00 -0.33 -1.54 115.11 112.46 2jgi h GLN 140 Ca -0.00 0.03 -0.16 0.00 -0.00 0.00 0.00 58.65 58.52 2jgi h GLN 140 Cb 0.17 0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.74 2jgi h GLN 140 CO 0.01 -0.10 -0.48 0.28 0.00 0.00 0.00 178.83 178.53 2jgi h VAL 141 N -1.02 1.31 -0.32 2.39 2.07 -1.22 -3.29 116.25 116.17 2jgi h VAL 141 Ca -0.04 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2jgi h VAL 141 Cb 0.45 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2jgi h VAL 141 CO 0.07 0.53 0.00 -0.62 0.02 0.00 0.00 177.57 177.57 2jgi n GLU 142 N -4.15 2.39 -1.29 1.57 -0.58 -0.79 -4.96 120.64 112.83 2jgi n GLU 142 Ca -0.06 -2.18 -0.10 0.00 -0.42 0.00 0.00 57.16 54.41 2jgi n GLU 142 Cb 0.58 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.93 2jgi n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jgi n GLY 143 N 1.39 1.06 3.88 0.62 0.00 -0.59 -4.96 105.19 106.59 2jgi n GLY 143 Ca 0.18 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2jgi n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgi s ALA 144 N -2.14 3.50 -0.30 4.61 0.00 -1.17 -4.77 121.76 121.48 2jgi s ALA 144 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.56 2jgi s ALA 144 Cb 0.00 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 2jgi s ALA 144 CO 0.00 0.35 0.34 0.08 0.00 0.00 0.00 175.76 176.53 2jgi s VAL 145 N -1.98 5.19 -0.09 0.00 1.01 -1.23 -4.07 120.40 119.23 2jgi s VAL 145 Ca 0.49 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.76 2jgi s VAL 145 Cb -0.11 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2jgi s VAL 145 CO 0.24 0.06 -0.13 -0.22 0.00 0.00 0.00 175.10 175.05 2jgi s LEU 146 N 2.00 2.76 -0.00 3.92 0.20 -0.08 -0.79 118.68 126.69 2jgi s LEU 146 Ca 0.12 -0.25 0.06 0.00 0.69 0.00 0.00 54.13 54.75 2jgi s LEU 146 Cb -0.16 -1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 2jgi s LEU 146 CO 0.11 0.25 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.55 2jgi s VAL 147 N -0.18 1.42 0.01 1.68 1.01 -0.08 0.07 120.40 124.32 2jgi s VAL 147 Ca 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2jgi s VAL 147 Cb -0.13 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 2jgi s VAL 147 CO 0.03 0.33 -0.04 -0.94 0.00 0.00 0.00 175.10 174.49 2jgi s SER 148 N -0.59 0.46 0.15 3.32 1.04 -0.72 -0.03 113.70 117.33 2jgi s SER 148 Ca 0.07 -0.19 0.10 0.00 0.48 0.00 0.00 55.95 56.40 2jgi s SER 148 Cb -0.07 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 2jgi s SER 148 CO -0.00 -0.04 -0.18 0.00 0.98 0.00 0.00 173.24 174.00 2jgi s MET 149 N -0.49 1.74 0.37 4.02 0.23 -1.24 0.45 119.30 124.38 2jgi s MET 149 Ca -0.03 -1.29 -0.25 0.00 -1.03 0.00 0.00 55.69 53.10 2jgi s MET 149 Cb -0.04 -2.05 -0.09 0.00 -1.53 0.00 0.00 34.83 31.12 2jgi s MET 149 CO -0.00 0.45 1.01 -0.80 -2.03 0.00 0.00 175.02 173.64 2jgi s ASN 150 N -2.38 7.00 -0.03 -1.18 -0.87 -0.39 -4.45 114.94 112.63 2jgi s ASN 150 Ca 0.19 1.94 -0.08 0.00 -1.57 0.00 0.00 52.86 53.35 2jgi s ASN 150 Cb -0.10 -2.58 0.01 0.00 -0.02 0.00 0.00 41.25 38.57 2jgi s ASN 150 CO 0.11 -0.32 0.19 -0.72 -2.57 0.00 0.00 177.10 173.79 2jgi s TYR 151 N -1.67 -0.10 0.34 2.20 1.13 -1.26 -4.55 117.35 113.44 2jgi s TYR 151 Ca 0.55 0.20 -0.29 0.00 -1.41 0.00 0.00 57.07 56.12 2jgi s TYR 151 Cb -0.20 0.02 -0.11 0.00 -1.10 0.00 0.00 41.96 40.57 2jgi s TYR 151 CO 0.25 -0.22 1.51 1.03 -2.51 0.00 0.00 175.55 175.61 2jgi s ARG 152 N -0.74 4.14 0.20 -3.49 0.52 -1.26 -4.88 118.95 113.43 2jgi s ARG 152 Ca -0.08 2.54 0.00 0.00 -0.52 0.00 0.00 55.73 57.66 2jgi s ARG 152 Cb -0.05 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.42 2jgi s ARG 152 CO 0.01 -0.54 0.00 1.33 0.02 0.00 0.00 175.30 176.13 2jgi n VAL 153 N 1.14 0.00 -2.67 3.52 0.24 -1.26 -4.17 118.33 115.13 2jgi n VAL 153 Ca 0.04 -0.92 0.00 0.00 -2.04 0.00 0.00 64.34 61.41 2jgi n VAL 153 Cb 0.39 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 2jgi n VAL 153 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jgi n GLY 154 N 2.66 0.91 0.30 7.63 0.00 0.17 -0.20 105.19 116.67 2jgi n GLY 154 Ca -0.08 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.32 2jgi n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jgi h THR 155 N 0.00 0.91 -0.79 2.61 1.35 -1.88 -0.18 112.91 114.93 2jgi h THR 155 Ca 0.00 -0.27 0.04 0.00 -0.55 0.00 0.00 66.41 65.64 2jgi h THR 155 Cb 0.00 0.06 -0.05 0.00 -1.73 0.00 0.00 68.15 66.43 2jgi h THR 155 CO 0.00 0.14 0.52 -0.26 -0.25 0.00 0.00 175.52 175.67 2jgi h PHE 156 N 0.78 0.91 0.12 4.73 0.04 -1.82 -0.47 116.94 121.23 2jgi h PHE 156 Ca 0.39 0.02 -0.29 0.00 2.80 0.00 0.00 57.97 60.89 2jgi h PHE 156 Cb 0.36 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 2jgi h PHE 156 CO -0.06 0.51 -1.41 0.78 -0.60 0.00 0.00 178.31 177.53 2jgi h GLY 157 N 0.93 0.29 0.00 -1.45 0.00 0.41 -3.38 103.07 99.87 2jgi h GLY 157 Ca 0.32 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2jgi h GLY 157 CO -0.10 0.65 0.00 0.69 0.00 0.00 0.00 176.54 177.78 2jgi n PHE 158 N -3.48 0.00 -1.76 5.60 3.72 -0.17 -1.64 117.46 119.73 2jgi n PHE 158 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 2jgi n PHE 158 Cb 1.04 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.55 2jgi n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2jgi s LEU 159 N -0.04 4.40 -0.03 4.37 0.20 -0.24 -4.56 118.68 122.78 2jgi s LEU 159 Ca 0.00 2.63 0.03 0.00 0.69 0.00 0.00 54.13 57.48 2jgi s LEU 159 Cb 0.00 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 2jgi s LEU 159 CO 0.00 -1.00 -0.10 0.00 -0.29 0.00 0.00 176.35 174.96 2jgi s ALA 160 N 3.60 0.96 -0.89 5.97 0.00 -1.26 -4.46 121.76 125.68 2jgi s ALA 160 Ca 0.82 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 2jgi s ALA 160 Cb -0.42 -0.37 0.22 0.00 0.00 0.00 0.00 23.12 22.55 2jgi s ALA 160 CO 0.37 0.15 0.77 -0.51 0.00 0.00 0.00 175.76 176.54 2jgi s LEU 161 N 0.25 5.57 0.27 0.00 1.43 0.24 -4.01 118.68 122.42 2jgi s LEU 161 Ca -0.04 -3.66 -0.30 0.00 -1.03 0.00 0.00 54.13 49.09 2jgi s LEU 161 Cb -0.10 -1.92 -0.14 0.00 0.03 0.00 0.00 46.19 44.07 2jgi s LEU 161 CO 0.01 -0.20 1.25 -2.65 0.23 0.00 0.00 176.35 174.99 2jgi n PRO 162 N 2.42 1.78 0.00 1.29 -0.02 -1.26 -1.01 135.00 138.20 2jgi n PRO 162 Ca 0.21 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2jgi n PRO 162 Cb 0.37 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2jgi n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgi n GLY 163 N 1.57 1.68 3.92 -1.23 0.00 -1.26 -5.05 105.19 104.82 2jgi n GLY 163 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2jgi n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jgi s SER 164 N -2.36 4.86 -0.10 1.61 1.04 -0.18 -5.01 113.70 113.55 2jgi s SER 164 Ca 0.00 0.56 0.05 0.00 0.48 0.00 0.00 55.95 57.05 2jgi s SER 164 Cb 0.00 -1.23 -0.24 0.00 0.10 0.00 0.00 66.02 64.65 2jgi s SER 164 CO 0.00 -1.59 0.44 -1.14 0.98 0.00 0.00 173.24 171.93 2jgi n ARG 165 N -2.96 0.69 0.00 4.02 0.63 -1.26 -4.28 116.66 113.49 2jgi n ARG 165 Ca 0.08 0.25 0.13 0.00 -0.92 0.00 0.00 57.85 57.38 2jgi n ARG 165 Cb 0.60 -1.72 0.34 0.00 0.45 0.00 0.00 32.46 32.13 2jgi n ARG 165 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2jgi n GLU 166 N -3.19 0.59 -2.77 -0.14 4.71 -1.26 -4.42 120.64 114.14 2jgi n GLU 166 Ca -0.26 -0.34 -0.06 0.00 -0.01 0.00 0.00 57.16 56.49 2jgi n GLU 166 Cb 1.06 -1.49 0.02 0.00 -1.01 0.00 0.00 31.44 30.02 2jgi n GLU 166 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jgi n ALA 167 N -0.91 -1.57 0.12 0.62 0.00 -1.26 -4.44 120.51 113.06 2jgi n ALA 167 Ca 0.10 -1.23 -0.01 0.00 0.00 0.00 0.00 53.44 52.30 2jgi n ALA 167 Cb 0.34 -1.42 0.26 0.00 0.00 0.00 0.00 19.45 18.63 2jgi n ALA 167 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2jgi h PRO 168 N 4.62 0.16 0.00 0.00 0.11 -1.75 0.71 132.00 135.85 2jgi h PRO 168 Ca -0.02 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2jgi h PRO 168 Cb 1.07 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jgi h PRO 168 CO 0.14 0.55 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 2jgi n GLY 169 N -0.23 1.40 2.63 -0.55 0.00 -1.26 -4.58 105.19 102.60 2jgi n GLY 169 Ca -0.02 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 2jgi n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jgi n ASN 170 N -0.33 -4.98 -0.21 1.61 3.02 -1.26 -4.88 115.26 108.23 2jgi n ASN 170 Ca 0.00 0.06 0.16 0.00 -0.03 0.00 0.00 54.58 54.78 2jgi n ASN 170 Cb 0.00 -2.70 0.49 0.00 -0.61 0.00 0.00 39.78 36.96 2jgi n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2jgi h VAL 171 N 0.00 0.75 -0.56 2.41 -1.51 -1.84 0.41 116.25 115.91 2jgi h VAL 171 Ca -0.05 -0.15 0.07 0.00 -1.23 0.00 0.00 66.70 65.33 2jgi h VAL 171 Cb 0.72 0.26 -0.06 0.00 -2.13 0.00 0.00 31.29 30.09 2jgi h VAL 171 CO 0.08 0.08 0.24 1.23 -1.23 0.00 0.00 177.57 177.97 2jgi h GLY 172 N 0.45 0.78 1.89 5.19 0.00 -1.52 0.54 103.07 110.39 2jgi h GLY 172 Ca 0.42 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.52 2jgi h GLY 172 CO -0.15 0.04 -0.34 1.41 0.00 0.00 0.00 176.54 177.50 2jgi h LEU 173 N 0.45 0.13 -0.43 3.11 3.38 -1.26 -1.89 115.31 118.79 2jgi h LEU 173 Ca 0.27 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 2jgi h LEU 173 Cb 0.26 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2jgi h LEU 173 CO -0.23 0.47 -0.45 -0.07 0.09 0.00 0.00 178.44 178.24 2jgi h LEU 174 N 0.11 0.88 -0.57 1.67 3.38 0.10 0.24 115.31 121.12 2jgi h LEU 174 Ca 0.01 -0.43 0.10 0.00 0.09 0.00 0.00 57.88 57.66 2jgi h LEU 174 Cb 0.66 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 2jgi h LEU 174 CO 0.05 1.20 0.12 0.44 0.09 0.00 0.00 178.44 180.34 2jgi h ASP 175 N 0.65 0.00 -0.14 -0.43 3.32 0.26 0.12 116.42 120.19 2jgi h ASP 175 Ca 0.04 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2jgi h ASP 175 Cb 1.03 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 2jgi h ASP 175 CO 0.10 0.02 0.08 1.56 -1.72 0.00 0.00 179.24 179.28 2jgi h GLN 176 N 0.25 0.17 -0.75 3.56 4.20 -0.91 -1.89 115.11 119.75 2jgi h GLN 176 Ca 0.30 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.97 2jgi h GLN 176 Cb 0.43 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2jgi h GLN 176 CO -0.38 0.11 0.35 -0.09 -0.67 0.00 0.00 178.83 178.15 2jgi h ARG 177 N 0.18 1.09 -0.84 1.46 2.43 0.03 -1.55 114.38 117.17 2jgi h ARG 177 Ca 0.06 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2jgi h ARG 177 Cb -0.01 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.31 2jgi h ARG 177 CO -0.03 0.86 0.51 1.25 -1.51 0.00 0.00 179.97 181.05 2jgi h LEU 178 N 1.06 1.00 -1.06 3.80 5.85 -0.63 0.44 115.31 125.78 2jgi h LEU 178 Ca 0.26 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2jgi h LEU 178 Cb 0.14 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2jgi h LEU 178 CO -0.03 0.76 0.25 0.00 -0.34 0.00 0.00 178.44 179.09 2jgi h ALA 179 N 1.41 1.26 -0.43 1.25 0.00 -0.66 0.25 119.26 122.33 2jgi h ALA 179 Ca 0.30 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2jgi h ALA 179 Cb -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2jgi h ALA 179 CO -0.06 0.55 -0.19 -0.07 0.00 0.00 0.00 179.25 179.48 2jgi h LEU 180 N 0.91 0.91 0.01 0.00 3.38 -0.29 -0.71 115.31 119.52 2jgi h LEU 180 Ca 0.21 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2jgi h LEU 180 Cb 0.18 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2jgi h LEU 180 CO -0.02 1.11 -0.24 1.56 0.09 0.00 0.00 178.44 180.93 2jgi h GLN 181 N 0.71 -0.37 -0.89 1.13 4.20 -0.48 0.62 115.11 120.03 2jgi h GLN 181 Ca 0.10 0.02 0.19 0.00 0.06 0.00 0.00 58.65 59.02 2jgi h GLN 181 Cb 0.75 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 28.51 2jgi h GLN 181 CO 0.06 -0.24 0.43 2.35 -0.67 0.00 0.00 178.83 180.76 2jgi h TRP 182 N -0.38 0.73 0.28 2.96 7.01 -0.29 -0.97 115.95 125.29 2jgi h TRP 182 Ca 0.06 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 2jgi h TRP 182 Cb 0.46 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.33 2jgi h TRP 182 CO -0.28 0.06 -0.13 0.28 -2.79 0.00 0.00 178.44 175.58 2jgi h VAL 183 N 0.51 0.76 -0.96 2.65 2.07 -0.17 -1.21 116.25 119.90 2jgi h VAL 183 Ca 0.52 -0.33 0.30 0.00 0.82 0.00 0.00 66.70 68.02 2jgi h VAL 183 Cb 0.90 0.95 -0.16 0.00 -1.52 0.00 0.00 31.29 31.46 2jgi h VAL 183 CO -0.45 0.07 0.38 1.56 0.02 0.00 0.00 177.57 179.15 2jgi h GLN 184 N -0.55 0.18 0.23 1.57 1.08 0.39 -1.03 115.11 116.98 2jgi h GLN 184 Ca -0.04 -0.01 -0.34 0.00 -1.45 0.00 0.00 58.65 56.81 2jgi h GLN 184 Cb 0.40 -0.04 0.03 0.00 -0.05 0.00 0.00 27.48 27.82 2jgi h GLN 184 CO 0.06 0.12 -1.59 1.49 -0.95 0.00 0.00 178.83 177.97 2jgi h GLU 185 N 0.19 0.48 0.00 1.46 4.81 -1.11 -3.41 114.58 117.00 2jgi h GLU 185 Ca 0.68 -0.83 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2jgi h GLU 185 Cb 1.53 0.31 0.00 0.00 0.63 0.00 0.00 28.75 31.22 2jgi h GLU 185 CO -0.69 1.40 -1.05 0.09 -0.73 0.00 0.00 179.01 178.03 2jgi n ASN 186 N -3.68 1.85 0.24 1.04 3.02 -0.48 -4.65 115.26 112.61 2jgi n ASN 186 Ca -0.20 -0.29 0.09 0.00 -0.03 0.00 0.00 54.58 54.15 2jgi n ASN 186 Cb 1.09 1.27 0.60 0.00 -0.61 0.00 0.00 39.78 42.13 2jgi n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2jgi h ILE 187 N 0.00 0.83 -0.53 2.41 6.09 -1.38 -2.33 117.51 122.60 2jgi h ILE 187 Ca 0.00 -0.68 0.01 0.00 -1.37 0.00 0.00 64.86 62.82 2jgi h ILE 187 Cb 0.36 1.40 -0.03 0.00 0.47 0.00 0.00 36.82 39.02 2jgi h ILE 187 CO 0.00 0.17 0.35 0.00 -3.07 0.00 0.00 178.15 175.60 2jgi h ALA 188 N 1.82 1.63 0.00 0.18 0.00 -1.81 0.31 119.26 121.39 2jgi h ALA 188 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jgi h ALA 188 Cb 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jgi h ALA 188 CO 0.02 0.34 0.36 0.00 0.00 0.00 0.00 179.25 179.98 2jgi h ALA 189 N 1.67 1.36 -0.14 0.00 0.00 -1.73 0.62 119.26 121.04 2jgi h ALA 189 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jgi h ALA 189 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jgi h ALA 189 CO -0.04 -0.36 0.00 1.19 0.00 0.00 0.00 179.25 180.03 2jgi n PHE 190 N -2.86 0.16 -0.54 0.00 3.01 -0.03 -4.89 117.46 112.31 2jgi n PHE 190 Ca -0.02 -0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.32 2jgi n PHE 190 Cb 0.41 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 2jgi n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgi n GLY 191 N 0.92 0.75 3.87 1.37 0.00 0.21 -4.67 105.19 107.64 2jgi n GLY 191 Ca 0.11 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 2jgi n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jgi s GLY 192 N -2.49 2.30 -0.57 -0.02 0.00 -0.46 -1.53 107.32 104.56 2jgi s GLY 192 Ca 0.00 -0.48 -0.21 0.00 0.00 0.00 0.00 44.72 44.03 2jgi s GLY 192 CO 0.00 -0.26 0.80 -0.35 0.00 0.00 0.00 173.10 173.29 2jgi s ASP 193 N -1.64 6.23 0.00 1.64 2.15 0.63 -3.28 116.67 122.40 2jgi s ASP 193 Ca 0.29 -0.89 0.17 0.00 0.43 0.00 0.00 52.55 52.55 2jgi s ASP 193 Cb -0.14 -2.36 0.95 0.00 -0.30 0.00 0.00 42.92 41.07 2jgi s ASP 193 CO 0.16 -1.15 1.49 -0.81 -0.17 0.00 0.00 175.17 174.69 2jgi n PRO 194 N 6.89 0.37 0.00 4.34 -0.04 -1.26 -0.62 135.00 144.68 2jgi n PRO 194 Ca -0.04 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.63 2jgi n PRO 194 Cb 0.45 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.00 2jgi n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jgi n MET 195 N -1.17 0.20 -3.42 0.54 2.81 -1.26 -4.55 117.12 110.27 2jgi n MET 195 Ca 0.10 -0.04 -0.27 0.00 -1.81 0.00 0.00 57.70 55.69 2jgi n MET 195 Cb 0.11 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.01 2jgi n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jgi s SER 196 N -2.83 2.24 -0.20 7.83 0.15 0.21 -4.93 113.70 116.18 2jgi s SER 196 Ca 0.19 -2.34 0.01 0.00 0.70 0.00 0.00 55.95 54.50 2jgi s SER 196 Cb 0.19 -0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.30 2jgi s SER 196 CO 0.53 -0.26 -0.11 -0.69 1.20 0.00 0.00 173.24 173.92 2jgi s VAL 197 N 0.84 1.67 -0.19 4.45 1.01 -1.26 0.15 120.40 127.06 2jgi s VAL 197 Ca 0.22 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 2jgi s VAL 197 Cb -0.14 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2jgi s VAL 197 CO -0.05 0.19 0.02 -0.89 0.00 0.00 0.00 175.10 174.37 2jgi s THR 198 N 1.39 4.26 -0.05 3.92 2.01 -0.31 -0.70 115.64 126.17 2jgi s THR 198 Ca -0.01 -0.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 2jgi s THR 198 Cb -0.16 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 2jgi s THR 198 CO -0.08 0.44 0.65 -0.76 -0.69 0.00 0.00 174.62 174.17 2jgi s LEU 199 N 0.73 4.35 0.03 4.42 1.43 -0.33 -0.79 118.68 128.51 2jgi s LEU 199 Ca 0.01 1.15 0.03 0.00 -1.03 0.00 0.00 54.13 54.29 2jgi s LEU 199 Cb -0.14 -3.00 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 2jgi s LEU 199 CO 0.02 -0.03 -0.10 0.72 0.23 0.00 0.00 176.35 177.19 2jgi s PHE 200 N 0.45 0.84 0.28 0.29 -0.71 0.41 0.45 117.98 119.99 2jgi s PHE 200 Ca 0.34 -0.32 -0.12 0.00 -1.04 0.00 0.00 56.93 55.80 2jgi s PHE 200 Cb -0.18 -0.51 0.00 0.00 -1.21 0.00 0.00 43.02 41.13 2jgi s PHE 200 CO 0.17 -0.02 0.52 0.20 -1.34 0.00 0.00 175.22 174.76 2jgi s GLY 201 N -0.95 0.66 -0.17 1.99 0.00 -1.11 -0.82 107.32 106.91 2jgi s GLY 201 Ca -0.02 -0.95 0.24 0.00 0.00 0.00 0.00 44.72 43.99 2jgi s GLY 201 CO 0.00 -0.63 1.13 -2.21 0.00 0.00 0.00 173.10 171.40 2jgi n GLU 202 N -0.44 1.18 0.00 2.90 0.00 -1.22 -1.39 120.64 121.67 2jgi n GLU 202 Ca -0.02 -3.02 0.00 0.00 0.00 0.00 0.00 57.16 54.12 2jgi n GLU 202 Cb 0.61 -1.09 0.00 0.00 0.00 0.00 0.00 31.44 30.97 2jgi n GLU 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jgi n ALA 204 N -0.24 0.00 -0.30 4.31 0.00 -1.26 -3.12 120.51 119.90 2jgi n ALA 204 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 2jgi n ALA 204 Cb 0.92 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.47 2jgi n ALA 204 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jgi h GLY 205 N 0.00 1.18 0.80 0.00 0.00 -1.72 0.24 103.07 103.58 2jgi h GLY 205 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 46.94 2jgi h GLY 205 CO 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 176.54 176.79 2jgi h ALA 206 N 1.34 -0.16 -0.74 3.60 0.00 -1.66 -0.09 119.26 121.54 2jgi h ALA 206 Ca 0.32 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.32 2jgi h ALA 206 Cb -0.01 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2jgi h ALA 206 CO -0.11 -0.61 0.37 0.00 0.00 0.00 0.00 179.25 178.90 2jgi h ALA 207 N 0.72 1.03 0.04 0.00 0.00 -1.62 0.11 119.26 119.53 2jgi h ALA 207 Ca 0.02 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jgi h ALA 207 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jgi h ALA 207 CO -0.07 -0.03 -0.07 0.77 0.00 0.00 0.00 179.25 179.85 2jgi h SER 208 N 0.63 -0.20 -0.22 0.00 0.02 -0.13 0.10 113.55 113.75 2jgi h SER 208 Ca 0.36 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.40 2jgi h SER 208 Cb 0.39 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 2jgi h SER 208 CO -0.27 -0.11 -0.18 0.58 -1.14 0.00 0.00 176.83 175.70 2jgi h VAL 209 N -0.14 0.51 -0.73 2.27 2.07 -0.04 -0.16 116.25 120.01 2jgi h VAL 209 Ca 0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.70 2jgi h VAL 209 Cb 0.16 0.51 -0.13 0.00 -1.52 0.00 0.00 31.29 30.31 2jgi h VAL 209 CO -0.05 0.00 -0.00 1.23 0.02 0.00 0.00 177.57 178.77 2jgi h GLY 210 N -0.19 0.81 2.00 2.17 0.00 -0.34 0.21 103.07 107.74 2jgi h GLY 210 Ca 0.13 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 2jgi h GLY 210 CO -0.33 -0.27 -0.11 -0.33 0.00 0.00 0.00 176.54 175.49 2jgi h MET 211 N 0.10 0.00 -0.15 4.80 2.86 0.38 -1.32 114.93 121.61 2jgi h MET 211 Ca 0.40 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.83 2jgi h MET 211 Cb 0.69 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.36 2jgi h MET 211 CO -0.65 0.11 -0.73 0.45 1.06 0.00 0.00 176.91 177.15 2jgi h HIS 212 N 0.00 1.02 -0.29 -0.22 3.86 0.72 0.26 115.15 120.49 2jgi h HIS 212 Ca -0.00 -0.45 0.08 0.00 -1.16 0.00 0.00 60.37 58.84 2jgi h HIS 212 Cb 0.73 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 2jgi h HIS 212 CO 0.00 1.28 0.30 0.82 0.86 0.00 0.00 177.93 181.18 2jgi h ILE 213 N 0.47 0.47 0.00 2.45 2.04 -0.07 -2.49 117.51 120.39 2jgi h ILE 213 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2jgi h ILE 213 Cb 1.37 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2jgi h ILE 213 CO 0.15 0.00 -0.90 0.18 0.00 0.00 0.00 178.15 177.58 2jgi n LEU 214 N -3.84 0.88 -4.15 1.44 4.77 -0.72 -4.78 117.00 110.60 2jgi n LEU 214 Ca 0.04 -0.49 -0.38 0.00 -0.03 0.00 0.00 56.01 55.15 2jgi n LEU 214 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2jgi n LEU 214 CO 0.28 0.22 -0.06 -0.55 -1.33 0.00 0.00 177.39 175.96 2jgi s SER 215 N -2.80 5.46 0.29 -1.43 0.15 0.03 -4.80 113.70 110.61 2jgi s SER 215 Ca 0.07 -2.18 0.02 0.00 0.70 0.00 0.00 55.95 54.56 2jgi s SER 215 Cb 0.14 -1.91 0.71 0.00 -1.71 0.00 0.00 66.02 63.25 2jgi s SER 215 CO 0.77 -0.56 1.63 0.25 1.20 0.00 0.00 173.24 176.53 2jgi h LEU 216 N 7.98 -0.10 -1.37 3.45 5.85 -1.86 0.71 115.31 129.97 2jgi h LEU 216 Ca -0.13 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2jgi h LEU 216 Cb 1.04 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2jgi h LEU 216 CO 0.76 -0.20 0.30 -0.65 -0.34 0.00 0.00 178.44 178.32 2jgi h PRO 217 N 0.16 0.00 0.00 5.25 0.11 -1.94 -1.74 132.00 133.84 2jgi h PRO 217 Ca 0.55 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.50 2jgi h PRO 217 Cb 1.13 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2jgi h PRO 217 CO -0.70 0.00 -1.77 0.43 -0.21 0.00 0.00 178.00 175.75 2jgi n SER 218 N -2.42 0.44 0.08 -2.05 7.64 0.25 -4.49 113.62 113.07 2jgi n SER 218 Ca -0.01 0.19 0.09 0.00 1.01 0.00 0.00 58.87 60.15 2jgi n SER 218 Cb 0.34 0.84 0.56 0.00 -1.01 0.00 0.00 64.21 64.93 2jgi n SER 218 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jgi h ARG 219 N 0.00 0.23 0.00 1.43 2.47 -1.31 -1.78 114.38 115.42 2jgi h ARG 219 Ca -0.21 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 2jgi h ARG 219 Cb 1.56 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.83 2jgi h ARG 219 CO 0.03 0.15 0.00 -1.13 0.56 0.00 0.00 179.97 179.58 2jgi n SER 220 N -4.49 0.00 -0.53 7.04 3.41 -1.26 -3.23 113.62 114.56 2jgi n SER 220 Ca 0.03 -1.12 0.06 0.00 -0.26 0.00 0.00 58.87 57.58 2jgi n SER 220 Cb 0.21 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.24 2jgi n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgi n LEU 221 N -0.90 2.33 -3.91 1.04 4.77 -0.67 -5.02 117.00 114.64 2jgi n LEU 221 Ca 0.18 -1.37 -0.08 0.00 -0.03 0.00 0.00 56.01 54.71 2jgi n LEU 221 Cb 0.08 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2jgi n LEU 221 CO 0.13 0.51 0.36 0.72 -1.33 0.00 0.00 177.39 177.78 2jgi s PHE 222 N -0.97 0.02 0.00 -1.77 -0.71 -1.20 -4.88 117.98 108.47 2jgi s PHE 222 Ca 0.17 -0.45 0.00 0.00 -1.04 0.00 0.00 56.93 55.62 2jgi s PHE 222 Cb 0.11 0.52 0.00 0.00 -1.21 0.00 0.00 43.02 42.43 2jgi s PHE 222 CO 0.15 -1.15 0.00 0.72 -1.34 0.00 0.00 175.22 173.60 2jgi n HIS 223 N -0.43 0.00 -4.43 3.49 8.25 0.12 -4.92 115.22 117.31 2jgi n HIS 223 Ca -0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.22 2jgi n HIS 223 Cb 0.60 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.61 2jgi n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jgi s ARG 224 N -1.59 1.55 -0.11 -0.41 0.52 -1.16 -4.47 118.95 113.27 2jgi s ARG 224 Ca 0.00 -1.78 -0.12 0.00 -0.52 0.00 0.00 55.73 53.31 2jgi s ARG 224 Cb 0.00 -1.16 0.03 0.00 0.52 0.00 0.00 34.95 34.34 2jgi s ARG 224 CO 0.00 0.04 0.33 0.00 0.02 0.00 0.00 175.30 175.69 2jgi s ALA 225 N -3.00 -0.82 -0.06 2.13 0.00 -1.11 -1.19 121.76 117.71 2jgi s ALA 225 Ca 0.29 0.88 0.04 0.00 0.00 0.00 0.00 51.96 53.17 2jgi s ALA 225 Cb 0.04 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 2jgi s ALA 225 CO 0.12 -0.17 -0.19 0.08 0.00 0.00 0.00 175.76 175.60 2jgi s VAL 226 N 0.04 1.64 -0.29 0.00 1.01 0.17 -1.22 120.40 121.75 2jgi s VAL 226 Ca -0.01 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2jgi s VAL 226 Cb -0.03 -1.42 0.08 0.00 0.00 0.00 0.00 36.38 35.01 2jgi s VAL 226 CO 0.01 0.47 -0.02 -0.76 0.00 0.00 0.00 175.10 174.80 2jgi s LEU 227 N 0.17 3.60 -0.27 3.92 1.02 0.88 -2.77 118.68 125.23 2jgi s LEU 227 Ca -0.09 -1.64 -0.15 0.00 0.02 0.00 0.00 54.13 52.27 2jgi s LEU 227 Cb -0.14 -1.42 -0.04 0.00 0.02 0.00 0.00 46.19 44.61 2jgi s LEU 227 CO 0.04 -0.29 0.37 -1.10 0.02 0.00 0.00 176.35 175.39 2jgi s GLN 228 N 1.15 4.02 -1.06 1.70 -0.21 -0.49 -2.30 119.66 122.47 2jgi s GLN 228 Ca 0.01 0.03 -0.21 0.00 0.02 0.00 0.00 55.36 55.21 2jgi s GLN 228 Cb -0.19 -3.65 0.03 0.00 1.00 0.00 0.00 33.01 30.19 2jgi s GLN 228 CO -0.08 -0.27 0.66 0.43 -2.12 0.00 0.00 175.29 173.90 2jgi n SER 229 N 5.31 -4.48 0.00 5.90 7.64 -0.00 -4.18 113.62 123.81 2jgi n SER 229 Ca -0.09 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.64 2jgi n SER 229 Cb 0.51 -1.74 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 2jgi n SER 229 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jgi n GLY 230 N -1.91 1.57 3.39 0.23 0.00 -1.26 -4.75 105.19 102.46 2jgi n GLY 230 Ca -0.19 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 2jgi n GLY 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jgi s THR 231 N -2.00 0.05 -0.09 2.61 -4.23 -1.26 -4.49 115.64 106.22 2jgi s THR 231 Ca 0.00 -0.60 0.13 0.00 -1.18 0.00 0.00 61.69 60.04 2jgi s THR 231 Cb 0.00 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.51 2jgi s THR 231 CO 0.00 -0.22 1.31 1.55 -0.54 0.00 0.00 174.62 176.72 2jgi h PRO 232 N 2.28 0.00 -7.60 3.99 0.13 -1.84 -3.38 132.00 125.57 2jgi h PRO 232 Ca -0.32 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.33 2jgi h PRO 232 Cb 1.26 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.49 2jgi h PRO 232 CO 0.43 0.59 0.41 0.54 -0.23 0.00 0.00 178.00 179.74 2jgi s ASN 233 N -6.42 4.62 0.00 1.44 4.22 -1.26 -4.59 114.94 112.95 2jgi s ASN 233 Ca 0.02 0.82 0.00 0.00 -2.14 0.00 0.00 52.86 51.56 2jgi s ASN 233 Cb 0.08 -1.35 0.00 0.00 1.28 0.00 0.00 41.25 41.26 2jgi s ASN 233 CO 0.77 -1.84 0.00 0.61 -2.04 0.00 0.00 177.10 174.61 2jgi n GLY 234 N -3.28 1.19 0.12 0.45 0.00 -1.26 -4.78 105.19 97.63 2jgi n GLY 234 Ca 0.08 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 44.13 2jgi n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jgi h PRO 235 N 0.00 0.00 0.00 1.61 0.13 -1.88 -3.37 132.00 128.50 2jgi h PRO 235 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jgi h PRO 235 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jgi h PRO 235 CO 0.00 0.00 -0.72 -2.67 -0.23 0.00 0.00 178.00 174.38 2jgi n TRP 236 N -2.41 0.00 0.33 1.56 4.27 -1.26 -4.71 117.44 115.22 2jgi n TRP 236 Ca 0.05 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.78 2jgi n TRP 236 Cb 0.45 -0.06 0.21 0.00 -1.36 0.00 0.00 31.31 30.54 2jgi n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jgi h ALA 237 N 0.88 0.92 -2.55 -1.67 0.00 -1.84 -3.47 119.26 111.52 2jgi h ALA 237 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2jgi h ALA 237 Cb 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.88 2jgi h ALA 237 CO 0.00 0.00 -0.50 0.95 0.00 0.00 0.00 179.25 179.70 2jgi s THR 238 N -3.20 0.07 0.02 0.00 -4.23 -1.26 -3.79 115.64 103.25 2jgi s THR 238 Ca 0.07 -1.72 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 2jgi s THR 238 Cb 0.08 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.84 2jgi s THR 238 CO 0.67 -0.30 -0.09 0.68 -0.54 0.00 0.00 174.62 175.04 2jgi s VAL 239 N -4.04 0.69 0.50 2.29 -7.23 0.54 -4.96 120.40 108.20 2jgi s VAL 239 Ca 0.24 -0.77 -0.22 0.00 -1.81 0.00 0.00 61.98 59.42 2jgi s VAL 239 Cb 0.05 -0.66 -0.06 0.00 0.56 0.00 0.00 36.38 36.27 2jgi s VAL 239 CO 0.03 -0.08 1.27 -0.94 -0.31 0.00 0.00 175.10 175.07 2jgi s SER 240 N -0.94 5.70 0.25 4.85 1.04 -1.26 -0.89 113.70 122.46 2jgi s SER 240 Ca -0.02 2.56 -0.05 0.00 0.48 0.00 0.00 55.95 58.91 2jgi s SER 240 Cb -0.07 -2.62 0.48 0.00 0.10 0.00 0.00 66.02 63.91 2jgi s SER 240 CO 0.00 -1.26 1.65 0.00 0.98 0.00 0.00 173.24 174.61 2jgi h ALA 241 N 1.76 0.88 -0.25 5.32 0.00 -1.95 -0.37 119.26 124.66 2jgi h ALA 241 Ca -0.50 0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2jgi h ALA 241 Cb 1.27 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 2jgi h ALA 241 CO 0.59 -0.42 0.13 0.78 0.00 0.00 0.00 179.25 180.33 2jgi h GLY 242 N 0.15 0.33 0.75 0.00 0.00 -1.93 -1.12 103.07 101.25 2jgi h GLY 242 Ca 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 2jgi h GLY 242 CO -0.63 0.08 -0.01 -2.09 0.00 0.00 0.00 176.54 173.88 2jgi h GLU 243 N 0.27 -0.02 -1.01 4.80 4.57 -1.65 -0.81 114.58 120.72 2jgi h GLU 243 Ca 0.10 0.00 0.23 0.00 -1.18 0.00 0.00 59.36 58.51 2jgi h GLU 243 Cb 0.02 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 28.51 2jgi h GLU 243 CO -0.07 0.23 0.62 0.00 -1.18 0.00 0.00 179.01 178.61 2jgi h ALA 244 N 0.70 1.89 -0.34 2.92 0.00 -0.99 -0.39 119.26 123.04 2jgi h ALA 244 Ca -0.00 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2jgi h ALA 244 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2jgi h ALA 244 CO 0.00 -0.30 -0.25 -0.09 0.00 0.00 0.00 179.25 178.61 2jgi h ARG 245 N 0.58 0.77 -0.41 0.00 2.43 -0.57 -2.17 114.38 115.02 2jgi h ARG 245 Ca 0.60 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2jgi h ARG 245 Cb 1.19 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 2jgi h ARG 245 CO -0.38 1.00 0.26 -0.09 -1.51 0.00 0.00 179.97 179.24 2jgi h ARG 246 N 0.55 0.54 -0.24 0.20 2.43 0.30 -1.70 114.38 116.46 2jgi h ARG 246 Ca 0.07 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2jgi h ARG 246 Cb 0.81 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2jgi h ARG 246 CO 0.07 0.38 0.07 0.00 -1.51 0.00 0.00 179.97 178.98 2jgi h ARG 247 N 0.55 0.38 -0.95 0.20 3.08 -1.16 -0.28 114.38 116.20 2jgi h ARG 247 Ca 0.15 -0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.21 2jgi h ARG 247 Cb -0.04 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 29.88 2jgi h ARG 247 CO -0.03 0.47 0.59 0.00 -1.07 0.00 0.00 179.97 179.93 2jgi h ALA 248 N 0.90 1.38 0.03 0.04 0.00 -1.24 0.14 119.26 120.51 2jgi h ALA 248 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jgi h ALA 248 Cb 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jgi h ALA 248 CO -0.00 0.26 -0.02 1.15 0.00 0.00 0.00 179.25 180.64 2jgi h THR 249 N 0.99 1.28 -0.87 0.00 2.02 -1.09 -1.29 112.91 113.95 2jgi h THR 249 Ca 0.45 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.63 2jgi h THR 249 Cb 0.35 1.95 -0.05 0.00 -1.74 0.00 0.00 68.15 68.67 2jgi h THR 249 CO -0.23 0.26 0.57 0.25 0.37 0.00 0.00 175.52 176.74 2jgi h LEU 250 N -0.49 0.96 -0.51 2.58 5.85 -0.64 0.48 115.31 123.53 2jgi h LEU 250 Ca -0.00 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 2jgi h LEU 250 Cb 0.46 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2jgi h LEU 250 CO 0.01 0.67 0.01 0.25 -0.34 0.00 0.00 178.44 179.04 2jgi h LEU 251 N 1.12 0.88 -0.44 2.25 6.46 -0.67 -1.76 115.31 123.15 2jgi h LEU 251 Ca 0.33 -0.30 0.06 0.00 -0.12 0.00 0.00 57.88 57.85 2jgi h LEU 251 Cb -0.04 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 39.60 2jgi h LEU 251 CO -0.09 0.97 0.14 0.00 -0.62 0.00 0.00 178.44 178.85 2jgi h ALA 252 N 0.94 0.52 -0.59 1.25 0.00 -0.21 -0.72 119.26 120.46 2jgi h ALA 252 Ca 0.15 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.23 2jgi h ALA 252 Cb 0.51 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 2jgi h ALA 252 CO 0.03 -0.25 0.11 0.00 0.00 0.00 0.00 179.25 179.14 2jgi h ARG 253 N 0.31 0.23 -0.46 0.00 3.08 -0.80 0.38 114.38 117.12 2jgi h ARG 253 Ca 0.21 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2jgi h ARG 253 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2jgi h ARG 253 CO -0.22 0.15 0.21 -0.07 -1.07 0.00 0.00 179.97 178.98 2jgi h LEU 254 N 0.24 0.58 -0.86 3.04 3.38 -0.23 0.67 115.31 122.13 2jgi h LEU 254 Ca 0.31 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2jgi h LEU 254 Cb 0.45 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2jgi h LEU 254 CO -0.40 0.50 -0.30 1.33 0.09 0.00 0.00 178.44 179.66 2jgi n VAL 255 N -4.38 0.00 -1.10 1.22 0.24 -0.86 -5.01 118.33 108.44 2jgi n VAL 255 Ca 0.04 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2jgi n VAL 255 Cb 0.13 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 2jgi n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jgi n GLY 256 N 1.36 -1.44 0.00 7.63 0.00 0.23 -5.09 105.19 107.88 2jgi n GLY 256 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2jgi n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgi n ASN 265 N 0.00 -6.54 -0.23 0.00 4.05 -1.26 -4.46 115.26 106.81 2jgi n ASN 265 Ca 0.00 0.81 0.03 0.00 0.45 0.00 0.00 54.58 55.87 2jgi n ASN 265 Cb 0.00 -2.31 0.12 0.00 1.23 0.00 0.00 39.78 38.82 2jgi n ASN 265 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 2jgi h ASP 266 N 4.14 -0.33 -0.27 1.20 3.32 -2.00 -2.49 116.42 120.00 2jgi h ASP 266 Ca -0.05 0.17 0.05 0.00 0.02 0.00 0.00 57.03 57.22 2jgi h ASP 266 Cb 0.55 0.31 -0.08 0.00 0.22 0.00 0.00 39.33 40.34 2jgi h ASP 266 CO 0.01 -0.15 -0.49 0.74 -1.72 0.00 0.00 179.24 177.63 2jgi h THR 267 N 0.10 0.06 -0.18 0.35 2.02 -2.01 -1.95 112.91 111.30 2jgi h THR 267 Ca 0.36 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.54 2jgi h THR 267 Cb 0.61 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2jgi h THR 267 CO -0.60 0.00 0.10 -0.08 0.37 0.00 0.00 175.52 175.31 2jgi h GLU 268 N -0.46 0.25 0.06 6.66 4.81 -1.88 -0.53 114.58 123.49 2jgi h GLU 268 Ca 0.08 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2jgi h GLU 268 Cb 0.63 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2jgi h GLU 268 CO -0.50 0.19 -0.03 1.25 -0.73 0.00 0.00 179.01 179.18 2jgi h LEU 269 N 0.25 -0.07 -0.15 1.64 6.46 -1.28 -2.14 115.31 120.02 2jgi h LEU 269 Ca 0.07 -0.50 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 2jgi h LEU 269 Cb 0.01 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 2jgi h LEU 269 CO -0.01 0.49 0.05 0.40 -0.62 0.00 0.00 178.44 178.75 2jgi h ILE 270 N -0.67 1.18 -0.98 4.05 2.04 -1.21 -0.51 117.51 121.41 2jgi h ILE 270 Ca -0.01 -0.56 0.31 0.00 1.00 0.00 0.00 64.86 65.60 2jgi h ILE 270 Cb 0.56 1.28 -0.15 0.00 -0.74 0.00 0.00 36.82 37.78 2jgi h ILE 270 CO 0.01 0.17 0.52 0.00 0.00 0.00 0.00 178.15 178.85 2jgi h ALA 271 N 0.86 1.85 0.35 1.87 0.00 -1.13 0.43 119.26 123.49 2jgi h ALA 271 Ca 0.05 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2jgi h ALA 271 Cb 0.22 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2jgi h ALA 271 CO -0.00 -0.55 -0.17 0.00 0.00 0.00 0.00 179.25 178.53 2jgi h LEU 273 N -0.83 -0.12 -2.72 0.00 3.38 0.91 0.25 115.31 116.16 2jgi h LEU 273 Ca -0.05 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2jgi h LEU 273 Cb 0.53 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2jgi h LEU 273 CO 0.08 -0.13 0.04 0.03 0.09 0.00 0.00 178.44 178.55 2jgi h ARG 274 N 0.19 0.00 0.00 1.13 3.08 -0.27 -0.71 114.38 117.79 2jgi h ARG 274 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.52 2jgi h ARG 274 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2jgi h ARG 274 CO -0.62 0.00 -0.36 1.79 -1.07 0.00 0.00 179.97 179.71 2jgi h THR 275 N 0.00 0.00 -3.72 2.04 1.35 -0.44 -3.46 112.91 108.67 2jgi h THR 275 Ca 0.01 -0.70 -0.50 0.00 -0.55 0.00 0.00 66.41 64.67 2jgi h THR 275 Cb 0.10 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 2jgi h THR 275 CO -0.00 0.00 0.39 -0.13 -0.25 0.00 0.00 175.52 175.53 2jgi s ARG 276 N -3.19 4.76 0.66 4.72 1.81 -0.28 -5.02 118.95 122.42 2jgi s ARG 276 Ca 0.07 1.58 -0.17 0.00 -1.72 0.00 0.00 55.73 55.48 2jgi s ARG 276 Cb 0.10 -3.27 -0.00 0.00 -0.45 0.00 0.00 34.95 31.33 2jgi s ARG 276 CO 0.68 0.37 1.23 -2.14 -0.68 0.00 0.00 175.30 174.77 2jgi s PRO 277 N -1.02 2.53 0.21 3.54 0.02 -1.26 -4.90 135.00 134.13 2jgi s PRO 277 Ca 0.43 1.88 -0.10 0.00 0.02 0.00 0.00 61.00 63.22 2jgi s PRO 277 Cb -0.27 -1.87 0.28 0.00 0.02 0.00 0.00 34.50 32.65 2jgi s PRO 277 CO 0.34 -1.56 1.70 0.00 -0.33 0.00 0.00 177.00 177.15 2jgi h ALA 278 N 0.34 0.68 -1.00 -1.55 0.00 -1.96 -1.66 119.26 114.11 2jgi h ALA 278 Ca -0.50 0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.69 2jgi h ALA 278 Cb 1.31 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.19 2jgi h ALA 278 CO 0.52 -0.31 0.63 0.37 0.00 0.00 0.00 179.25 180.46 2jgi h GLN 279 N 0.24 0.90 -0.34 0.00 5.75 -2.00 -1.27 115.11 118.40 2jgi h GLN 279 Ca 0.30 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.79 2jgi h GLN 279 Cb 0.45 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 2jgi h GLN 279 CO -0.40 0.60 0.11 -0.44 -2.65 0.00 0.00 178.83 176.05 2jgi h ASP 280 N 0.93 0.12 -0.31 -0.69 5.19 -1.66 0.21 116.42 120.22 2jgi h ASP 280 Ca 0.52 0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.99 2jgi h ASP 280 Cb 0.61 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 2jgi h ASP 280 CO -0.30 0.11 0.16 -0.07 -3.12 0.00 0.00 179.24 176.01 2jgi h LEU 281 N 0.26 0.23 0.27 1.55 3.38 -1.21 -2.46 115.31 117.33 2jgi h LEU 281 Ca 0.15 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2jgi h LEU 281 Cb 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2jgi h LEU 281 CO -0.16 0.17 -0.19 0.58 0.09 0.00 0.00 178.44 178.94 2jgi h VAL 282 N 0.32 0.61 0.00 1.22 2.07 -1.03 -2.33 116.25 117.10 2jgi h VAL 282 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2jgi h VAL 282 Cb 0.04 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2jgi h VAL 282 CO -0.08 0.00 0.35 0.44 0.02 0.00 0.00 177.57 178.29 2jgi h ASP 283 N -0.45 0.00 0.00 0.57 3.32 -0.14 -1.80 116.42 117.91 2jgi h ASP 283 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2jgi h ASP 283 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2jgi h ASP 283 CO 0.01 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.94 2jgi n HIS 284 N -2.45 0.00 0.35 4.55 8.25 -1.00 -4.75 115.22 120.17 2jgi n HIS 284 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 2jgi n HIS 284 Cb 0.38 0.00 0.57 0.00 1.12 0.00 0.00 29.99 32.06 2jgi n HIS 284 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2jgi h GLU 285 N 0.00 0.00 0.00 -0.41 4.11 -0.78 -2.27 114.58 115.23 2jgi h GLU 285 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jgi h GLU 285 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2jgi h GLU 285 CO 0.00 0.00 -1.25 0.91 0.07 0.00 0.00 179.01 178.74 2jgi n TRP 286 N -2.46 0.40 0.71 2.06 7.02 -1.26 -4.19 117.44 119.72 2jgi n TRP 286 Ca 0.01 0.12 0.05 0.00 -1.02 0.00 0.00 57.50 56.66 2jgi n TRP 286 Cb 0.22 -0.59 0.16 0.00 -2.42 0.00 0.00 31.31 28.68 2jgi n TRP 286 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2jgi n HIS 287 N -2.23 0.59 0.01 -5.99 8.25 -0.86 -3.67 115.22 111.33 2jgi n HIS 287 Ca -0.00 -0.26 -0.10 0.00 -0.26 0.00 0.00 57.72 57.10 2jgi n HIS 287 Cb 0.50 -0.08 -0.14 0.00 1.12 0.00 0.00 29.99 31.40 2jgi n HIS 287 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2jgi h VAL 288 N 1.96 1.10 -3.51 1.59 2.07 -1.73 -3.39 116.25 114.34 2jgi h VAL 288 Ca 0.00 -2.88 -0.69 0.00 0.82 0.00 0.00 66.70 63.96 2jgi h VAL 288 Cb 0.65 2.59 -0.36 0.00 -1.52 0.00 0.00 31.29 32.64 2jgi h VAL 288 CO 0.06 0.69 -0.47 -0.76 0.02 0.00 0.00 177.57 177.10 2jgi s LEU 289 N -6.45 5.08 0.31 2.57 1.43 -1.24 -4.87 118.68 115.52 2jgi s LEU 289 Ca -0.05 -2.62 0.02 0.00 -1.03 0.00 0.00 54.13 50.45 2jgi s LEU 289 Cb 0.08 -1.80 0.58 0.00 0.03 0.00 0.00 46.19 45.08 2jgi s LEU 289 CO 0.82 -0.40 1.91 -0.65 0.23 0.00 0.00 176.35 178.27 2jgi h PRO 290 N 7.26 0.94 -0.32 1.29 0.11 -1.81 -3.43 132.00 136.04 2jgi h PRO 290 Ca -0.06 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 2jgi h PRO 290 Cb 0.97 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 2jgi h PRO 290 CO 0.69 0.62 0.12 1.04 -0.21 0.00 0.00 178.00 180.26 2jgi n GLN 291 N -4.50 0.00 -1.69 1.05 6.02 -1.26 -4.73 117.38 112.28 2jgi n GLN 291 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 2jgi n GLN 291 Cb 0.22 -0.09 -0.03 0.00 1.02 0.00 0.00 30.24 31.36 2jgi n GLN 291 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2jgi n GLU 292 N 0.51 2.68 -3.61 -1.09 1.02 -1.26 -4.88 120.64 114.00 2jgi n GLU 292 Ca 0.04 0.97 -0.05 0.00 -0.02 0.00 0.00 57.16 58.11 2jgi n GLU 292 Cb 0.00 -2.85 -0.04 0.00 -0.02 0.00 0.00 31.44 28.53 2jgi n GLU 292 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jgi s SER 293 N 2.67 -0.14 -0.07 1.62 0.15 -1.26 -4.66 113.70 112.00 2jgi s SER 293 Ca 0.83 0.11 -0.06 0.00 0.70 0.00 0.00 55.95 57.53 2jgi s SER 293 Cb -0.52 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 63.90 2jgi s SER 293 CO 0.39 -0.16 -0.11 -0.38 1.20 0.00 0.00 173.24 174.18 2jgi n ILE 294 N 0.39 0.69 -1.00 6.45 5.41 -1.23 -4.48 119.36 125.60 2jgi n ILE 294 Ca -0.02 0.35 -0.16 0.00 1.00 0.00 0.00 62.75 63.92 2jgi n ILE 294 Cb 0.58 -1.92 -0.14 0.00 -0.71 0.00 0.00 39.64 37.46 2jgi n ILE 294 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2jgi n PHE 295 N -3.40 0.43 -2.86 1.39 3.01 -1.26 -4.67 117.46 110.09 2jgi n PHE 295 Ca -0.04 -1.70 -0.44 0.00 1.01 0.00 0.00 57.45 56.27 2jgi n PHE 295 Cb 0.17 -1.69 -0.00 0.00 -0.01 0.00 0.00 39.48 37.94 2jgi n PHE 295 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 2jgi s ARG 296 N 1.34 4.05 -0.25 -1.08 1.70 -1.26 -4.87 118.95 118.58 2jgi s ARG 296 Ca 0.64 -2.41 -0.10 0.00 -0.47 0.00 0.00 55.73 53.39 2jgi s ARG 296 Cb 0.28 -5.17 -0.05 0.00 -0.57 0.00 0.00 34.95 29.44 2jgi s ARG 296 CO -0.01 -1.88 0.16 -0.06 -1.08 0.00 0.00 175.30 172.43 2jgi s PHE 297 N 2.24 3.28 0.16 5.89 0.08 -1.26 -4.98 117.98 123.39 2jgi s PHE 297 Ca 0.45 0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.65 2jgi s PHE 297 Cb -0.01 -2.28 -0.01 0.00 -0.57 0.00 0.00 43.02 40.15 2jgi s PHE 297 CO 0.01 0.00 1.38 0.77 -0.10 0.00 0.00 175.22 177.28 2jgi h SER 298 N 7.69 0.44 -4.01 1.36 0.02 -1.93 -3.41 113.55 113.72 2jgi h SER 298 Ca -0.37 -0.33 -0.64 0.00 -0.84 0.00 0.00 61.79 59.61 2jgi h SER 298 Cb 1.17 -0.13 -0.41 0.00 0.14 0.00 0.00 62.40 63.18 2jgi h SER 298 CO 0.63 1.10 -0.68 -0.36 -1.14 0.00 0.00 176.83 176.38 2jgi s PHE 299 N -3.40 3.23 0.26 3.45 0.08 -1.26 -4.98 117.98 115.36 2jgi s PHE 299 Ca -0.05 -3.00 0.05 0.00 0.12 0.00 0.00 56.93 54.06 2jgi s PHE 299 Cb 0.10 -2.74 -0.06 0.00 -0.57 0.00 0.00 43.02 39.75 2jgi s PHE 299 CO 0.85 -0.83 -0.04 0.14 -0.10 0.00 0.00 175.22 175.24 2jgi s VAL 300 N 0.27 1.41 -0.16 -0.44 -7.23 -1.26 -4.54 120.40 108.46 2jgi s VAL 300 Ca 0.15 -2.09 -0.34 0.00 -1.81 0.00 0.00 61.98 57.89 2jgi s VAL 300 Cb -0.23 -2.40 -0.16 0.00 0.56 0.00 0.00 36.38 34.15 2jgi s VAL 300 CO -0.04 -0.31 1.01 -2.65 -0.31 0.00 0.00 175.10 172.80 2jgi n PRO 301 N -0.52 0.00 -3.80 4.82 -0.02 -1.25 -4.55 135.00 129.69 2jgi n PRO 301 Ca -0.05 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.06 2jgi n PRO 301 Cb 0.64 -1.18 -0.06 0.00 -0.02 0.00 0.00 33.50 32.87 2jgi n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jgi s VAL 302 N 0.93 5.42 -0.82 -1.45 0.11 -1.26 -0.33 120.40 122.99 2jgi s VAL 302 Ca 0.76 0.32 -0.25 0.00 -2.93 0.00 0.00 61.98 59.88 2jgi s VAL 302 Cb -1.07 -3.46 0.01 0.00 -1.53 0.00 0.00 36.38 30.32 2jgi s VAL 302 CO 0.53 0.59 1.57 -0.69 -3.33 0.00 0.00 175.10 173.77 2jgi s VAL 303 N -0.88 3.65 -1.84 2.04 1.01 -0.06 -4.61 120.40 119.71 2jgi s VAL 303 Ca 0.16 -0.10 0.20 0.00 0.00 0.00 0.00 61.98 62.24 2jgi s VAL 303 Cb -0.13 -4.58 -0.00 0.00 0.00 0.00 0.00 36.38 31.66 2jgi s VAL 303 CO 0.05 -1.51 1.00 -0.90 0.00 0.00 0.00 175.10 173.74 2jgi n ASP 304 N 10.80 1.90 -1.90 3.32 5.75 -1.22 -3.84 116.55 131.36 2jgi n ASP 304 Ca 0.22 -1.45 -0.18 0.00 -0.01 0.00 0.00 54.79 53.37 2jgi n ASP 304 Cb 0.50 0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 41.03 2jgi n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jgi n GLY 305 N 1.31 -0.02 0.00 6.12 0.00 -0.73 -4.87 105.19 107.00 2jgi n GLY 305 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2jgi n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jgi n ASP 306 N -1.27 0.00 -0.08 1.61 2.03 -1.26 -4.78 116.55 112.79 2jgi n ASP 306 Ca -0.20 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.02 2jgi n ASP 306 Cb 0.65 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.03 2jgi n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jgi h PHE 307 N 0.00 0.32 -3.38 -0.67 3.04 -1.91 -3.29 116.94 111.04 2jgi h PHE 307 Ca 0.00 0.01 -0.72 0.00 3.98 0.00 0.00 57.97 61.24 2jgi h PHE 307 Cb 0.00 -0.10 -0.27 0.00 2.56 0.00 0.00 35.95 38.14 2jgi h PHE 307 CO 0.00 0.19 -0.42 -0.51 -2.02 0.00 0.00 178.31 175.55 2jgi s LEU 308 N -10.20 5.38 0.57 0.59 1.43 -1.26 -4.51 118.68 110.67 2jgi s LEU 308 Ca -0.13 -1.57 0.27 0.00 -1.03 0.00 0.00 54.13 51.67 2jgi s LEU 308 Cb 0.10 -2.03 1.51 0.00 0.03 0.00 0.00 46.19 45.80 2jgi s LEU 308 CO 0.71 -0.60 2.03 0.77 0.23 0.00 0.00 176.35 179.48 2jgi h SER 309 N 8.49 0.00 -5.07 2.29 4.64 -1.87 -1.94 113.55 120.09 2jgi h SER 309 Ca -0.24 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.09 2jgi h SER 309 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2jgi h SER 309 CO 0.81 0.00 0.33 -0.62 -0.87 0.00 0.00 176.83 176.48 2jgi s ASP 310 N -5.88 0.03 0.60 4.97 2.15 -1.26 -4.38 116.67 112.89 2jgi s ASP 310 Ca -0.05 -1.11 -0.19 0.00 0.43 0.00 0.00 52.55 51.64 2jgi s ASP 310 Cb 0.17 0.80 -0.04 0.00 -0.30 0.00 0.00 42.92 43.55 2jgi s ASP 310 CO 0.62 -1.60 1.12 0.35 -0.17 0.00 0.00 175.17 175.49 2jgi n THR 311 N -0.57 4.05 -0.04 1.71 -2.24 -1.26 -4.83 114.28 111.09 2jgi n THR 311 Ca -0.08 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.19 2jgi n THR 311 Cb 0.60 -1.33 0.26 0.00 -2.10 0.00 0.00 70.33 67.76 2jgi n THR 311 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2jgi h PRO 312 N 0.68 0.62 -0.60 -0.78 0.11 -1.98 -2.31 132.00 127.74 2jgi h PRO 312 Ca -0.49 -0.14 0.08 0.00 0.11 0.00 0.00 66.00 65.56 2jgi h PRO 312 Cb 1.35 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.30 2jgi h PRO 312 CO 0.53 0.63 0.24 1.49 -0.21 0.00 0.00 178.00 180.68 2jgi h GLU 313 N 0.59 0.43 0.03 1.05 4.81 -1.90 0.86 114.58 120.45 2jgi h GLU 313 Ca 0.13 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2jgi h GLU 313 Cb 0.34 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2jgi h GLU 313 CO 0.01 0.28 -0.02 0.00 -0.73 0.00 0.00 179.01 178.56 2jgi h ALA 314 N 1.39 -0.04 -0.63 2.92 0.00 -1.81 -3.04 119.26 118.05 2jgi h ALA 314 Ca 0.29 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2jgi h ALA 314 Cb 0.33 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2jgi h ALA 314 CO -0.27 -0.42 0.12 -0.07 0.00 0.00 0.00 179.25 178.61 2jgi h LEU 315 N -0.25 0.98 -1.88 0.00 3.38 -0.90 -0.73 115.31 115.90 2jgi h LEU 315 Ca -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2jgi h LEU 315 Cb 0.24 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2jgi h LEU 315 CO 0.01 0.98 -0.11 0.16 0.09 0.00 0.00 178.44 179.57 2jgi h ILE 316 N 0.94 0.45 0.00 1.22 3.07 -0.92 0.13 117.51 122.41 2jgi h ILE 316 Ca 0.19 -0.54 -0.09 0.00 1.55 0.00 0.00 64.86 65.98 2jgi h ILE 316 Cb 0.40 1.37 -0.01 0.00 -0.27 0.00 0.00 36.82 38.31 2jgi h ILE 316 CO 0.01 0.10 -0.88 0.78 -1.05 0.00 0.00 178.15 177.11 2jgi h ASN 317 N 0.00 0.00 0.00 2.16 4.21 -1.06 -3.41 115.58 117.48 2jgi h ASN 317 Ca -0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 2jgi h ASN 317 Cb 0.36 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.56 2jgi h ASN 317 CO 0.01 0.34 -1.25 0.35 -1.29 0.00 0.00 177.43 175.59 2jgi n THR 318 N -2.95 0.05 -1.10 2.81 -2.24 -0.45 -5.07 114.28 105.32 2jgi n THR 318 Ca -0.02 -0.13 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 2jgi n THR 318 Cb 0.70 0.19 0.11 0.00 -2.10 0.00 0.00 70.33 69.24 2jgi n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jgi s GLY 319 N -2.74 1.68 -0.23 3.38 0.00 0.44 -5.03 107.32 104.81 2jgi s GLY 319 Ca -0.02 0.34 -0.10 0.00 0.00 0.00 0.00 44.72 44.94 2jgi s GLY 319 CO 0.21 0.71 0.14 -0.35 0.00 0.00 0.00 173.10 173.81 2jgi s ASP 320 N -3.20 5.96 -0.23 1.64 2.15 -1.26 -4.93 116.67 116.81 2jgi s ASP 320 Ca 0.63 0.08 0.14 0.00 0.43 0.00 0.00 52.55 53.82 2jgi s ASP 320 Cb -0.19 -2.07 0.46 0.00 -0.30 0.00 0.00 42.92 40.82 2jgi s ASP 320 CO 0.57 0.07 1.18 0.49 -0.17 0.00 0.00 175.17 177.31 2jgi n PHE 321 N 4.25 1.37 -0.18 -5.34 3.72 -1.05 -4.86 117.46 115.38 2jgi n PHE 321 Ca -0.15 -1.79 -0.06 0.00 -0.05 0.00 0.00 57.45 55.40 2jgi n PHE 321 Cb 0.52 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 2jgi n PHE 321 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2jgi h GLN 322 N 1.81 -0.17 -1.04 -1.08 5.75 -1.64 -3.09 115.11 115.65 2jgi h GLN 322 Ca 0.09 0.01 -0.44 0.00 -0.15 0.00 0.00 58.65 58.17 2jgi h GLN 322 Cb 1.39 0.04 -0.24 0.00 1.07 0.00 0.00 27.48 29.74 2jgi h GLN 322 CO 0.36 -0.11 0.55 -0.40 -2.65 0.00 0.00 178.83 176.58 2jgi n ASP 323 N -5.43 4.22 -3.89 -0.69 5.75 -1.26 -4.55 116.55 110.70 2jgi n ASP 323 Ca 0.04 -3.32 -0.25 0.00 -0.01 0.00 0.00 54.79 51.24 2jgi n ASP 323 Cb 0.35 -0.81 -0.17 0.00 -1.03 0.00 0.00 41.12 39.46 2jgi n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jgi s LEU 324 N -2.70 1.13 -0.19 -2.12 2.96 -1.17 -5.03 118.68 111.56 2jgi s LEU 324 Ca 0.46 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 54.05 2jgi s LEU 324 Cb 0.39 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 2jgi s LEU 324 CO 0.07 -0.11 0.06 -1.10 -1.32 0.00 0.00 176.35 173.95 2jgi s GLN 325 N 1.60 3.92 -0.01 1.98 1.11 -1.26 -1.37 119.66 125.62 2jgi s GLN 325 Ca 0.02 -0.37 0.04 0.00 0.01 0.00 0.00 55.36 55.06 2jgi s GLN 325 Cb -0.13 -3.21 -0.01 0.00 -1.01 0.00 0.00 33.01 28.65 2jgi s GLN 325 CO -0.06 0.22 -0.13 0.08 0.01 0.00 0.00 175.29 175.41 2jgi s VAL 326 N 0.51 1.06 -0.13 1.09 1.01 0.34 -2.75 120.40 121.53 2jgi s VAL 326 Ca 0.03 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 2jgi s VAL 326 Cb -0.13 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 2jgi s VAL 326 CO 0.01 0.30 -0.13 -0.22 0.00 0.00 0.00 175.10 175.06 2jgi s LEU 327 N -0.27 2.69 -0.00 3.92 2.96 -0.36 -0.57 118.68 127.05 2jgi s LEU 327 Ca 0.04 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2jgi s LEU 327 Cb -0.06 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 45.02 2jgi s LEU 327 CO -0.00 0.15 0.03 0.68 -1.32 0.00 0.00 176.35 175.89 2jgi s VAL 328 N 0.41 0.04 0.04 1.68 -7.23 0.42 -0.08 120.40 115.68 2jgi s VAL 328 Ca -0.10 -0.36 -0.02 0.00 -1.81 0.00 0.00 61.98 59.69 2jgi s VAL 328 Cb -0.16 -0.17 0.01 0.00 0.56 0.00 0.00 36.38 36.62 2jgi s VAL 328 CO 0.05 -0.20 0.12 0.61 -0.31 0.00 0.00 175.10 175.37 2jgi n GLY 329 N 2.43 1.64 3.36 2.32 0.00 -0.97 -1.58 105.19 112.38 2jgi n GLY 329 Ca -0.17 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 2jgi n GLY 329 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jgi s VAL 330 N -2.75 0.06 0.37 1.61 -7.23 -1.04 -0.82 120.40 110.60 2jgi s VAL 330 Ca 0.02 -1.27 0.07 0.00 -1.81 0.00 0.00 61.98 59.00 2jgi s VAL 330 Cb -0.01 -1.76 -0.00 0.00 0.56 0.00 0.00 36.38 35.17 2jgi s VAL 330 CO 0.01 -0.29 0.49 0.68 -0.31 0.00 0.00 175.10 175.69 2jgi s VAL 331 N -3.94 3.64 0.46 1.32 -7.23 -1.26 0.11 120.40 113.49 2jgi s VAL 331 Ca 0.15 -1.02 0.13 0.00 -1.81 0.00 0.00 61.98 59.42 2jgi s VAL 331 Cb 0.03 -3.25 0.23 0.00 0.56 0.00 0.00 36.38 33.95 2jgi s VAL 331 CO -0.01 -0.10 2.06 0.50 -0.31 0.00 0.00 175.10 177.23 2jgi h LYS 332 N 0.82 0.16 -2.10 4.82 3.64 -1.40 -3.33 116.57 119.18 2jgi h LYS 332 Ca -0.44 -0.02 -0.58 0.00 -1.27 0.00 0.00 60.65 58.35 2jgi h LYS 332 Cb 1.26 -0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 32.65 2jgi h LYS 332 CO 0.50 0.18 -0.90 -0.25 -2.27 0.00 0.00 179.45 176.71 2jgi n ASP 333 N -4.43 1.56 -0.27 4.20 9.92 -0.58 -4.93 116.55 122.01 2jgi n ASP 333 Ca -0.01 -2.98 -0.02 0.00 -0.53 0.00 0.00 54.79 51.25 2jgi n ASP 333 Cb 0.15 -0.65 0.15 0.00 -0.64 0.00 0.00 41.12 40.13 2jgi n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2jgi h GLU 334 N 4.14 1.12 0.07 -1.24 4.39 -1.77 -3.06 114.58 118.22 2jgi h GLU 334 Ca 0.13 -0.13 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 2jgi h GLU 334 Cb 0.80 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2jgi h GLU 334 CO 0.60 0.82 -1.28 0.78 -1.16 0.00 0.00 179.01 178.77 2jgi h GLY 335 N 1.15 0.16 -0.37 -3.84 0.00 -1.86 -3.37 103.07 94.94 2jgi h GLY 335 Ca 0.29 -0.41 0.07 0.00 0.00 0.00 0.00 47.33 47.28 2jgi h GLY 335 CO -0.05 0.36 -0.48 1.48 0.00 0.00 0.00 176.54 177.85 2jgi h SER 336 N 0.04 -1.60 -0.84 0.19 4.64 -1.76 0.98 113.55 115.20 2jgi h SER 336 Ca -0.13 0.23 0.22 0.00 -0.47 0.00 0.00 61.79 61.64 2jgi h SER 336 Cb 1.92 0.69 -0.16 0.00 -0.31 0.00 0.00 62.40 64.53 2jgi h SER 336 CO 0.15 -0.38 -0.03 0.00 -0.87 0.00 0.00 176.83 175.71 2jgi n TYR 337 N -5.40 0.49 0.18 4.77 9.36 -1.26 -1.33 117.16 123.97 2jgi n TYR 337 Ca -0.01 1.02 0.06 0.00 3.32 0.00 0.00 57.90 62.28 2jgi n TYR 337 Cb 0.35 -1.10 0.29 0.00 -0.63 0.00 0.00 39.34 38.24 2jgi n TYR 337 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2jgi h PHE 338 N 0.00 0.00 -0.15 2.98 -1.00 -1.06 -3.17 116.94 114.55 2jgi h PHE 338 Ca 0.49 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.25 2jgi h PHE 338 Cb 0.97 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.52 2jgi h PHE 338 CO -0.47 0.38 0.01 -0.07 -1.61 0.00 0.00 178.31 176.55 2jgi h LEU 339 N 0.00 0.19 -0.18 1.54 3.38 -1.12 -2.49 115.31 116.62 2jgi h LEU 339 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jgi h LEU 339 Cb 0.98 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2jgi h LEU 339 CO 0.05 0.22 0.00 -0.37 0.09 0.00 0.00 178.44 178.43 2jgi h VAL 340 N 0.21 0.00 -0.71 1.22 -1.51 -1.69 -1.07 116.25 112.70 2jgi h VAL 340 Ca 0.05 -0.50 -0.39 0.00 -1.23 0.00 0.00 66.70 64.63 2jgi h VAL 340 Cb 0.13 1.45 -0.14 0.00 -2.13 0.00 0.00 31.29 30.60 2jgi h VAL 340 CO 0.00 0.00 0.22 -1.22 -1.23 0.00 0.00 177.57 175.34 2jgi n TYR 341 N -2.40 1.20 0.00 5.19 4.02 -0.94 -4.66 117.16 119.58 2jgi n TYR 341 Ca 0.05 -1.82 0.00 0.00 -0.01 0.00 0.00 57.90 56.12 2jgi n TYR 341 Cb 0.40 -1.32 0.00 0.00 -0.02 0.00 0.00 39.34 38.40 2jgi n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jgi n GLY 342 N 1.14 1.28 3.38 2.72 0.00 -1.23 -4.88 105.19 107.60 2jgi n GLY 342 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 2jgi n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgi s VAL 343 N -2.00 4.33 0.33 1.61 1.01 -0.41 -4.86 120.40 120.41 2jgi s VAL 343 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 2jgi s VAL 343 Cb 0.00 -3.31 -0.11 0.00 0.00 0.00 0.00 36.38 32.96 2jgi s VAL 343 CO 0.00 -0.05 1.53 -2.84 0.00 0.00 0.00 175.10 173.74 2jgi s PRO 344 N 1.54 4.12 0.00 2.72 0.02 -1.26 -2.08 135.00 140.06 2jgi s PRO 344 Ca 0.03 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.61 2jgi s PRO 344 Cb -0.18 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2jgi s PRO 344 CO 0.05 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 2jgi n GLY 345 N 1.28 2.08 3.69 0.52 0.00 -1.26 -4.92 105.19 106.59 2jgi n GLY 345 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2jgi n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jgi s PHE 346 N -2.29 3.43 0.03 1.61 0.40 -0.88 -4.68 117.98 115.60 2jgi s PHE 346 Ca 0.00 0.71 -0.04 0.00 -0.60 0.00 0.00 56.93 57.00 2jgi s PHE 346 Cb 0.00 -2.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.00 2jgi s PHE 346 CO 0.00 0.07 0.07 0.45 0.70 0.00 0.00 175.22 176.51 2jgi s SER 347 N 0.84 0.19 0.20 1.36 0.15 -1.26 -4.53 113.70 110.65 2jgi s SER 347 Ca 0.21 -0.52 0.25 0.00 0.70 0.00 0.00 55.95 56.60 2jgi s SER 347 Cb -0.15 0.20 0.89 0.00 -1.71 0.00 0.00 66.02 65.25 2jgi s SER 347 CO 0.08 -0.46 1.76 2.29 1.20 0.00 0.00 173.24 178.12 2jgi n LYS 348 N 0.96 0.21 0.00 5.44 2.85 -1.26 -3.99 118.16 122.37 2jgi n LYS 348 Ca -0.20 0.25 0.10 0.00 -1.05 0.00 0.00 58.31 57.41 2jgi n LYS 348 Cb 0.58 -1.79 -0.10 0.00 -0.65 0.00 0.00 35.03 33.07 2jgi n LYS 348 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2jgi n ASP 349 N -2.17 1.07 -2.90 -5.58 8.00 -1.26 -4.41 116.55 109.30 2jgi n ASP 349 Ca 0.05 -1.03 -0.16 0.00 0.71 0.00 0.00 54.79 54.35 2jgi n ASP 349 Cb 0.36 0.94 -0.06 0.00 -0.02 0.00 0.00 41.12 42.34 2jgi n ASP 349 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jgi n ASN 350 N -1.33 -0.35 0.10 -2.24 0.23 -1.26 -5.06 115.26 105.36 2jgi n ASN 350 Ca 0.04 -2.78 0.10 0.00 -0.53 0.00 0.00 54.58 51.41 2jgi n ASN 350 Cb 0.33 1.30 0.45 0.00 -2.08 0.00 0.00 39.78 39.77 2jgi n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jgi n GLU 351 N -0.55 0.14 -2.72 -3.83 -0.58 -1.26 -4.76 120.64 107.08 2jgi n GLU 351 Ca 0.05 0.41 -0.21 0.00 -0.42 0.00 0.00 57.16 56.99 2jgi n GLU 351 Cb 0.49 -1.79 0.01 0.00 -0.57 0.00 0.00 31.44 29.58 2jgi n GLU 351 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2jgi n SER 352 N -2.06 -5.74 -4.70 1.62 7.64 -1.26 -4.94 113.62 104.18 2jgi n SER 352 Ca 0.02 -0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.34 2jgi n SER 352 Cb 0.19 -4.72 -0.03 0.00 -1.01 0.00 0.00 64.21 58.64 2jgi n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jgi s LEU 353 N -6.31 4.33 0.23 -3.43 1.43 -1.26 -4.70 118.68 108.96 2jgi s LEU 353 Ca 0.15 2.13 0.10 0.00 -1.03 0.00 0.00 54.13 55.48 2jgi s LEU 353 Cb -0.07 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 2jgi s LEU 353 CO 0.19 -0.67 -0.18 0.27 0.23 0.00 0.00 176.35 176.19 2jgi s ILE 354 N 1.97 2.06 0.66 -0.59 -4.36 -1.24 -5.02 121.20 114.69 2jgi s ILE 354 Ca 0.63 -2.23 -0.07 0.00 -0.26 0.00 0.00 60.65 58.72 2jgi s ILE 354 Cb -0.32 -2.11 0.04 0.00 1.25 0.00 0.00 42.46 41.32 2jgi s ILE 354 CO 0.27 -0.46 0.98 -0.94 0.24 0.00 0.00 174.94 175.04 2jgi s SER 355 N -3.26 5.15 0.33 4.36 1.04 -1.26 -4.04 113.70 116.02 2jgi s SER 355 Ca 0.24 0.61 0.04 0.00 0.48 0.00 0.00 55.95 57.33 2jgi s SER 355 Cb -0.03 -1.40 0.59 0.00 0.10 0.00 0.00 66.02 65.28 2jgi s SER 355 CO 0.10 -1.39 1.87 -0.09 0.98 0.00 0.00 173.24 174.71 2jgi h ARG 356 N -0.46 0.53 -0.29 4.02 2.43 -1.89 -1.28 114.38 117.43 2jgi h ARG 356 Ca -0.45 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 58.62 2jgi h ARG 356 Cb 1.29 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 2jgi h ARG 356 CO 0.61 0.56 0.17 0.00 -1.51 0.00 0.00 179.97 179.80 2jgi h ALA 357 N 1.49 0.37 -0.03 2.80 0.00 -1.99 -0.54 119.26 121.36 2jgi h ALA 357 Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2jgi h ALA 357 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2jgi h ALA 357 CO 0.01 -0.20 -0.22 1.96 0.00 0.00 0.00 179.25 180.80 2jgi h GLN 358 N 0.35 0.04 0.50 0.00 4.20 -1.79 -1.54 115.11 116.87 2jgi h GLN 358 Ca 0.12 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 2jgi h GLN 358 Cb -0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2jgi h GLN 358 CO -0.05 0.27 -0.24 0.35 -0.67 0.00 0.00 178.83 178.49 2jgi h PHE 359 N 0.04 -0.62 -0.66 2.96 3.04 -0.09 0.13 116.94 121.75 2jgi h PHE 359 Ca 0.01 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.05 2jgi h PHE 359 Cb 0.42 0.20 -0.08 0.00 2.56 0.00 0.00 35.95 39.06 2jgi h PHE 359 CO 0.00 -0.29 0.24 -0.07 -2.02 0.00 0.00 178.31 176.17 2jgi h LEU 360 N -0.93 0.22 -0.47 0.59 3.38 -0.93 -0.07 115.31 117.09 2jgi h LEU 360 Ca -0.07 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.08 2jgi h LEU 360 Cb 0.60 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 2jgi h LEU 360 CO 0.11 0.12 0.01 0.00 0.09 0.00 0.00 178.44 178.77 2jgi h ALA 361 N 1.47 0.45 -0.25 1.53 0.00 -1.24 -2.72 119.26 118.50 2jgi h ALA 361 Ca 0.34 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 2jgi h ALA 361 Cb 0.46 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2jgi h ALA 361 CO -0.35 -0.38 -0.17 0.78 0.00 0.00 0.00 179.25 179.13 2jgi h GLY 362 N 0.12 0.46 1.76 0.00 0.00 0.97 -2.64 103.07 103.75 2jgi h GLY 362 Ca 0.24 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 2jgi h GLY 362 CO -0.39 0.31 -0.26 -2.08 0.00 0.00 0.00 176.54 174.12 2jgi h VAL 363 N 0.39 1.25 -0.07 4.60 2.07 -0.78 0.25 116.25 123.96 2jgi h VAL 363 Ca 0.07 -1.16 -0.15 0.00 0.82 0.00 0.00 66.70 66.28 2jgi h VAL 363 Cb 0.53 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2jgi h VAL 363 CO 0.03 0.35 -0.62 0.03 0.02 0.00 0.00 177.57 177.39 2jgi h ARG 364 N 0.25 0.26 0.19 1.57 2.47 -1.28 -0.42 114.38 117.42 2jgi h ARG 364 Ca 0.04 -0.18 -0.31 0.00 -1.26 0.00 0.00 59.98 58.27 2jgi h ARG 364 Cb 0.60 0.03 0.02 0.00 -1.65 0.00 0.00 29.97 28.97 2jgi h ARG 364 CO 0.04 0.79 -1.35 0.82 0.56 0.00 0.00 179.97 180.83 2jgi h ILE 365 N 0.19 1.36 -0.31 2.04 2.04 -1.27 -3.14 117.51 118.43 2jgi h ILE 365 Ca -0.01 -2.79 -0.13 0.00 1.00 0.00 0.00 64.86 62.93 2jgi h ILE 365 Cb 1.13 2.95 -0.01 0.00 -0.74 0.00 0.00 36.82 40.15 2jgi h ILE 365 CO 0.10 0.83 -0.34 1.23 0.00 0.00 0.00 178.15 179.96 2jgi h GLY 366 N 0.72 0.74 -5.85 5.37 0.00 -0.48 -3.25 103.07 100.32 2jgi h GLY 366 Ca -0.20 -0.70 -0.61 0.00 0.00 0.00 0.00 47.33 45.82 2jgi h GLY 366 CO 0.24 0.64 -0.52 -0.62 0.00 0.00 0.00 176.54 176.28 2jgi n VAL 367 N -4.06 2.87 0.29 4.60 0.31 -0.17 -4.82 118.33 117.35 2jgi n VAL 367 Ca -0.01 -5.42 0.18 0.00 -0.01 0.00 0.00 64.34 59.08 2jgi n VAL 367 Cb 0.49 -1.80 0.95 0.00 -0.91 0.00 0.00 33.84 32.57 2jgi n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jgi h PRO 368 N 3.72 0.00 -0.20 5.55 0.13 -1.64 0.11 132.00 139.67 2jgi h PRO 368 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2jgi h PRO 368 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2jgi h PRO 368 CO 0.86 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.63 2jgi n GLN 369 N -2.81 1.94 -2.94 0.86 0.00 -1.26 -4.93 117.38 108.24 2jgi n GLN 369 Ca -0.02 -1.41 -0.41 0.00 0.00 0.00 0.00 57.00 55.17 2jgi n GLN 369 Cb 0.10 -1.43 -0.04 0.00 0.00 0.00 0.00 30.24 28.86 2jgi n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jgi s ALA 370 N -1.75 3.46 1.04 2.61 0.00 0.36 -5.05 121.76 122.44 2jgi s ALA 370 Ca 0.34 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 2jgi s ALA 370 Cb 0.19 -3.14 0.19 0.00 0.00 0.00 0.00 23.12 20.36 2jgi s ALA 370 CO 0.28 -0.49 0.92 -1.13 0.00 0.00 0.00 175.76 175.35 2jgi n SER 371 N 4.80 -0.96 -0.30 0.00 3.41 -1.26 -4.66 113.62 114.64 2jgi n SER 371 Ca 0.02 0.14 0.10 0.00 -0.26 0.00 0.00 58.87 58.87 2jgi n SER 371 Cb 0.50 -1.32 0.26 0.00 -0.26 0.00 0.00 64.21 63.39 2jgi n SER 371 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2jgi h ASP 372 N -2.20 0.49 -0.01 4.04 3.32 -2.00 -1.64 116.42 118.42 2jgi h ASP 372 Ca -0.51 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.65 2jgi h ASP 372 Cb 1.30 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.90 2jgi h ASP 372 CO 0.43 0.15 -0.00 0.25 -1.72 0.00 0.00 179.24 178.35 2jgi h LEU 373 N 0.56 0.02 -0.48 1.55 5.85 -1.96 -2.55 115.31 118.29 2jgi h LEU 373 Ca 0.51 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2jgi h LEU 373 Cb 0.82 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 2jgi h LEU 373 CO -0.42 0.38 0.29 0.00 -0.34 0.00 0.00 178.44 178.35 2jgi h ALA 374 N 0.64 0.61 -0.37 1.25 0.00 -1.80 -0.89 119.26 118.69 2jgi h ALA 374 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2jgi h ALA 374 Cb 0.38 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2jgi h ALA 374 CO 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 179.25 179.20 2jgi h ALA 375 N 1.21 0.30 -0.74 0.00 0.00 -1.34 -0.09 119.26 118.60 2jgi h ALA 375 Ca 0.19 0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.36 2jgi h ALA 375 Cb 0.01 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 2jgi h ALA 375 CO -0.08 -0.43 0.31 1.49 0.00 0.00 0.00 179.25 180.54 2jgi h GLU 376 N 0.05 0.46 -0.54 0.00 4.57 -0.96 -0.95 114.58 117.21 2jgi h GLU 376 Ca 0.18 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2jgi h GLU 376 Cb 0.27 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 2jgi h GLU 376 CO -0.34 0.30 0.33 0.00 -1.18 0.00 0.00 179.01 178.12 2jgi h ALA 377 N 1.52 0.69 -0.18 2.92 0.00 0.29 0.39 119.26 124.89 2jgi h ALA 377 Ca 0.40 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.28 2jgi h ALA 377 Cb 0.58 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2jgi h ALA 377 CO -0.38 0.16 -0.03 0.28 0.00 0.00 0.00 179.25 179.29 2jgi h VAL 378 N 0.73 0.84 -0.64 0.00 2.07 0.10 -0.90 116.25 118.45 2jgi h VAL 378 Ca 0.19 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.75 2jgi h VAL 378 Cb -0.03 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 2jgi h VAL 378 CO -0.04 0.00 0.37 0.58 0.02 0.00 0.00 177.57 178.51 2jgi h VAL 379 N 0.03 1.01 0.18 2.57 2.07 -0.92 -1.18 116.25 120.01 2jgi h VAL 379 Ca 0.09 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.37 2jgi h VAL 379 Cb 0.12 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2jgi h VAL 379 CO -0.17 0.13 -0.53 0.25 0.02 0.00 0.00 177.57 177.27 2jgi h LEU 380 N 0.70 -1.56 -1.89 2.57 5.85 -0.23 -0.98 115.31 119.78 2jgi h LEU 380 Ca 0.27 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 59.14 2jgi h LEU 380 Cb 0.11 0.57 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 2jgi h LEU 380 CO -0.15 -0.58 -0.06 -0.74 -0.34 0.00 0.00 178.44 176.57 2jgi h HIS 381 N -0.80 0.00 0.00 1.25 2.76 -0.92 -3.07 115.15 114.36 2jgi h HIS 381 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2jgi h HIS 381 Cb 0.78 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2jgi h HIS 381 CO -0.42 0.06 -1.42 0.66 -1.30 0.00 0.00 177.93 175.51 2jgi n TYR 382 N -4.44 0.28 -2.29 5.26 4.02 -0.47 -4.88 117.16 114.64 2jgi n TYR 382 Ca -0.03 0.08 -0.41 0.00 -0.01 0.00 0.00 57.90 57.53 2jgi n TYR 382 Cb 0.14 -0.53 -0.03 0.00 -0.02 0.00 0.00 39.34 38.90 2jgi n TYR 382 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jgi s THR 383 N -3.35 3.45 -0.55 -0.72 2.01 -0.39 -4.87 115.64 111.22 2jgi s THR 383 Ca -0.02 1.15 -0.21 0.00 0.31 0.00 0.00 61.69 62.93 2jgi s THR 383 Cb 0.13 -3.74 0.06 0.00 0.01 0.00 0.00 72.50 68.97 2jgi s THR 383 CO 0.85 0.15 0.77 -0.62 -0.69 0.00 0.00 174.62 175.08 2jgi s ASP 384 N 0.47 6.25 0.00 3.53 2.15 -1.26 -4.92 116.67 122.89 2jgi s ASP 384 Ca 0.57 -0.81 0.18 0.00 0.43 0.00 0.00 52.55 52.92 2jgi s ASP 384 Cb -0.34 -2.35 0.91 0.00 -0.30 0.00 0.00 42.92 40.83 2jgi s ASP 384 CO 0.35 -1.09 1.54 0.79 -0.17 0.00 0.00 175.17 176.60 2jgi n TRP 385 N 6.77 0.00 0.07 -5.34 7.02 -1.26 -1.11 117.44 123.59 2jgi n TRP 385 Ca -0.04 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.32 2jgi n TRP 385 Cb 0.46 -0.28 -0.03 0.00 -2.42 0.00 0.00 31.31 29.03 2jgi n TRP 385 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2jgi h LEU 386 N 0.00 0.46 -5.95 -0.99 5.85 -2.04 -3.38 115.31 109.27 2jgi h LEU 386 Ca 0.00 -0.37 -0.52 0.00 0.84 0.00 0.00 57.88 57.83 2jgi h LEU 386 Cb 0.17 -0.14 -0.40 0.00 0.37 0.00 0.00 40.66 40.66 2jgi h LEU 386 CO 0.00 1.16 -1.09 1.41 -0.34 0.00 0.00 178.44 179.58 2jgi n HIS 387 N -3.73 0.48 0.05 1.25 8.25 -0.27 -4.97 115.22 116.28 2jgi n HIS 387 Ca -0.06 -3.76 0.01 0.00 -0.26 0.00 0.00 57.72 53.65 2jgi n HIS 387 Cb 0.82 -0.41 0.03 0.00 1.12 0.00 0.00 29.99 31.55 2jgi n HIS 387 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jgi n PRO 388 N 0.67 0.00 -0.01 -0.41 -0.04 -0.58 -2.17 135.00 132.46 2jgi n PRO 388 Ca 0.24 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 2jgi n PRO 388 Cb 0.58 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 2jgi n PRO 388 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jgi n GLU 389 N -1.48 2.75 -2.59 0.54 -0.58 -1.26 -4.88 120.64 113.14 2jgi n GLU 389 Ca 0.00 -1.48 -0.43 0.00 -0.42 0.00 0.00 57.16 54.84 2jgi n GLU 389 Cb 0.02 -1.02 -0.02 0.00 -0.57 0.00 0.00 31.44 29.85 2jgi n GLU 389 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jgi s ASP 390 N -0.94 6.83 0.24 1.62 -1.08 -0.92 -4.84 116.67 117.58 2jgi s ASP 390 Ca 0.02 0.98 -0.06 0.00 -0.52 0.00 0.00 52.55 52.97 2jgi s ASP 390 Cb 0.01 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.37 2jgi s ASP 390 CO 0.01 -0.99 1.67 -0.65 0.52 0.00 0.00 175.17 175.73 2jgi h PRO 391 N 8.54 0.19 -0.16 4.34 0.11 -1.93 0.50 132.00 143.60 2jgi h PRO 391 Ca -0.22 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 2jgi h PRO 391 Cb 1.07 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2jgi h PRO 391 CO 1.05 0.13 0.07 1.15 -0.21 0.00 0.00 178.00 180.19 2jgi h THR 392 N 0.20 1.14 -0.14 -1.15 2.02 -1.90 -0.27 112.91 112.80 2jgi h THR 392 Ca 0.41 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2jgi h THR 392 Cb 0.72 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2jgi h THR 392 CO -0.56 0.13 0.05 -0.74 0.37 0.00 0.00 175.52 174.77 2jgi h HIS 393 N 0.11 0.21 -0.55 3.16 -0.00 -1.72 -2.10 115.15 114.27 2jgi h HIS 393 Ca 0.05 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.45 2jgi h HIS 393 Cb 0.14 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.44 2jgi h HIS 393 CO -0.02 0.30 0.30 -0.07 -0.00 0.00 0.00 177.93 178.44 2jgi h LEU 394 N 0.06 0.46 -0.33 0.26 3.38 -0.82 0.46 115.31 118.79 2jgi h LEU 394 Ca 0.05 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.11 2jgi h LEU 394 Cb 0.18 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 2jgi h LEU 394 CO -0.00 0.32 -0.19 -0.09 0.09 0.00 0.00 178.44 178.56 2jgi h ARG 395 N 0.59 -0.15 -0.57 1.13 1.12 -0.96 -0.33 114.38 115.22 2jgi h ARG 395 Ca 0.24 0.01 -0.09 0.00 -1.11 0.00 0.00 59.98 59.02 2jgi h ARG 395 Cb 0.10 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.07 2jgi h ARG 395 CO -0.14 -0.10 -0.01 -0.44 -3.11 0.00 0.00 179.97 176.17 2jgi h ASP 396 N -0.15 0.96 -0.81 -3.80 3.32 -0.32 -2.27 116.42 113.35 2jgi h ASP 396 Ca 0.17 -0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.02 2jgi h ASP 396 Cb 0.41 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 2jgi h ASP 396 CO -0.42 1.03 0.49 0.00 -1.72 0.00 0.00 179.24 178.61 2jgi h ALA 397 N 1.07 1.13 -0.18 3.45 0.00 0.34 -0.24 119.26 124.82 2jgi h ALA 397 Ca 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jgi h ALA 397 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jgi h ALA 397 CO 0.03 0.18 0.04 1.98 0.00 0.00 0.00 179.25 181.48 2jgi h MET 398 N 0.86 0.30 -0.21 0.00 1.85 -0.63 0.24 114.93 117.33 2jgi h MET 398 Ca 0.37 -0.07 0.06 0.00 -0.61 0.00 0.00 59.70 59.44 2jgi h MET 398 Cb 0.24 -0.04 -0.07 0.00 0.43 0.00 0.00 31.60 32.16 2jgi h MET 398 CO -0.20 0.44 -0.27 1.03 -0.40 0.00 0.00 176.91 177.51 2jgi h SER 399 N 0.11 -0.86 -0.65 1.39 0.87 -1.18 -2.22 113.55 111.01 2jgi h SER 399 Ca 0.06 0.14 0.11 0.00 -1.23 0.00 0.00 61.79 60.87 2jgi h SER 399 Cb 0.28 0.39 -0.08 0.00 -0.44 0.00 0.00 62.40 62.55 2jgi h SER 399 CO 0.00 -0.30 0.24 0.00 -0.53 0.00 0.00 176.83 176.24 2jgi h ALA 400 N 0.68 0.85 0.49 6.23 0.00 -0.51 0.23 119.26 127.23 2jgi h ALA 400 Ca 0.13 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2jgi h ALA 400 Cb 0.49 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jgi h ALA 400 CO -0.38 -0.20 -0.33 0.28 0.00 0.00 0.00 179.25 178.62 2jgi h VAL 401 N 0.41 0.32 -0.18 0.00 2.07 -0.11 0.33 116.25 119.10 2jgi h VAL 401 Ca 0.33 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.85 2jgi h VAL 401 Cb 0.44 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2jgi h VAL 401 CO -0.33 0.00 0.11 0.58 0.02 0.00 0.00 177.57 177.94 2jgi h VAL 402 N -0.80 1.09 0.02 2.57 2.07 -0.95 -0.69 116.25 119.56 2jgi h VAL 402 Ca -0.05 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.24 2jgi h VAL 402 Cb 0.66 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2jgi h VAL 402 CO 0.04 0.08 -0.05 1.23 0.02 0.00 0.00 177.57 178.89 2jgi h GLY 403 N 0.20 -0.07 0.95 2.17 0.00 -0.87 -2.04 103.07 103.41 2jgi h GLY 403 Ca 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2jgi h GLY 403 CO -0.01 -0.06 0.18 -0.55 0.00 0.00 0.00 176.54 176.10 2jgi h ASP 404 N -0.10 0.44 0.30 0.19 3.32 -0.10 0.19 116.42 120.66 2jgi h ASP 404 Ca 0.01 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2jgi h ASP 404 Cb 0.11 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2jgi h ASP 404 CO -0.04 0.42 -0.15 -0.74 -1.72 0.00 0.00 179.24 177.02 2jgi h HIS 405 N 0.42 -0.38 0.00 4.55 2.76 -1.11 0.09 115.15 121.48 2jgi h HIS 405 Ca 0.12 -0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.11 2jgi h HIS 405 Cb 0.09 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 2jgi h HIS 405 CO -0.02 -0.06 -0.82 -0.91 -1.30 0.00 0.00 177.93 174.82 2jgi h ASN 406 N -0.70 0.00 0.00 3.26 2.35 -1.36 -3.39 115.58 115.75 2jgi h ASN 406 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2jgi h ASN 406 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2jgi h ASN 406 CO 0.07 0.82 -0.34 0.52 -1.65 0.00 0.00 177.43 176.84 2jgi n VAL 407 N -3.49 0.38 0.02 2.81 0.31 0.59 -4.74 118.33 114.22 2jgi n VAL 407 Ca -0.00 0.13 -0.13 0.00 -0.01 0.00 0.00 64.34 64.33 2jgi n VAL 407 Cb 0.81 -1.18 -0.09 0.00 -0.91 0.00 0.00 33.84 32.47 2jgi n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jgi h VAL 408 N 0.00 1.22 -0.32 2.52 2.07 -1.31 -0.86 116.25 119.57 2jgi h VAL 408 Ca 0.00 -0.83 -0.18 0.00 0.82 0.00 0.00 66.70 66.51 2jgi h VAL 408 Cb 0.34 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2jgi h VAL 408 CO 0.00 0.21 -0.50 0.00 0.02 0.00 0.00 177.57 177.30 2jgi h PRO 410 N 0.69 -0.02 -0.65 0.00 0.11 -1.73 0.43 132.00 130.84 2jgi h PRO 410 Ca 0.03 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.20 2jgi h PRO 410 Cb 1.10 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 2jgi h PRO 410 CO 0.11 -0.01 0.35 0.28 -0.21 0.00 0.00 178.00 178.52 2jgi h VAL 411 N -0.02 0.94 -0.23 3.15 2.07 -0.88 0.51 116.25 121.79 2jgi h VAL 411 Ca 0.13 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.47 2jgi h VAL 411 Cb 0.22 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2jgi h VAL 411 CO -0.29 0.12 0.04 0.00 0.02 0.00 0.00 177.57 177.45 2jgi h ALA 412 N 1.35 0.23 -0.24 1.67 0.00 0.24 0.33 119.26 122.84 2jgi h ALA 412 Ca 0.30 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2jgi h ALA 412 Cb 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jgi h ALA 412 CO -0.20 -0.39 0.13 0.37 0.00 0.00 0.00 179.25 179.16 2jgi h GLN 413 N 0.12 0.26 0.10 0.00 5.75 0.67 -0.36 115.11 121.65 2jgi h GLN 413 Ca 0.11 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2jgi h GLN 413 Cb 0.11 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 2jgi h GLN 413 CO -0.15 0.17 -0.05 1.25 -2.65 0.00 0.00 178.83 177.40 2jgi h LEU 414 N 0.27 -0.13 -0.48 -2.39 5.85 0.10 0.27 115.31 118.81 2jgi h LEU 414 Ca 0.10 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.91 2jgi h LEU 414 Cb 0.02 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 2jgi h LEU 414 CO -0.06 -0.09 0.05 0.00 -0.34 0.00 0.00 178.44 178.00 2jgi h ALA 415 N 0.76 0.50 -0.46 1.25 0.00 -0.26 -1.91 119.26 119.12 2jgi h ALA 415 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jgi h ALA 415 Cb 0.12 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jgi h ALA 415 CO 0.02 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.33 2jgi n GLY 416 N -1.29 -2.88 0.37 0.00 0.00 -0.16 -1.93 105.19 99.30 2jgi n GLY 416 Ca 0.05 0.31 0.16 0.00 0.00 0.00 0.00 46.02 46.55 2jgi n GLY 416 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jgi h ARG 417 N 0.00 0.23 0.10 1.61 2.47 -0.85 -1.65 114.38 116.30 2jgi h ARG 417 Ca 0.00 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 2jgi h ARG 417 Cb 0.00 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 2jgi h ARG 417 CO 0.00 0.15 -0.05 -0.07 0.56 0.00 0.00 179.97 180.56 2jgi h LEU 418 N 0.24 -0.12 -0.82 3.04 3.38 -1.28 -1.39 115.31 118.35 2jgi h LEU 418 Ca 0.30 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 57.90 2jgi h LEU 418 Cb 0.84 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 2jgi h LEU 418 CO -0.06 0.45 0.48 0.00 0.09 0.00 0.00 178.44 179.40 2jgi h ALA 419 N -0.02 1.16 -0.85 1.53 0.00 -0.97 0.22 119.26 120.34 2jgi h ALA 419 Ca -0.01 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2jgi h ALA 419 Cb 0.56 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2jgi h ALA 419 CO 0.02 0.14 0.55 0.00 0.00 0.00 0.00 179.25 179.96 2jgi h ALA 420 N 1.44 1.64 -0.99 0.00 0.00 -1.32 -2.44 119.26 117.59 2jgi h ALA 420 Ca 0.39 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.75 2jgi h ALA 420 Cb 0.31 -0.21 -0.30 0.00 0.00 0.00 0.00 17.79 17.58 2jgi h ALA 420 CO -0.23 0.21 0.67 1.04 0.00 0.00 0.00 179.25 180.94 2jgi n GLN 421 N -4.51 2.29 -2.32 0.00 6.02 0.02 -4.94 117.38 113.96 2jgi n GLN 421 Ca 0.14 -3.04 0.00 0.00 -0.01 0.00 0.00 57.00 54.08 2jgi n GLN 421 Cb 0.27 -2.19 0.00 0.00 1.02 0.00 0.00 30.24 29.34 2jgi n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jgi n GLY 422 N -1.12 0.92 3.67 1.08 0.00 -0.92 -2.52 105.19 106.30 2jgi n GLY 422 Ca 0.60 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2jgi n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgi s ALA 423 N -2.86 3.23 -0.61 4.61 0.00 -1.09 -3.24 121.76 121.79 2jgi s ALA 423 Ca 0.00 -1.27 -0.26 0.00 0.00 0.00 0.00 51.96 50.43 2jgi s ALA 423 Cb 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 23.12 22.09 2jgi s ALA 423 CO 0.00 0.56 1.08 0.50 0.00 0.00 0.00 175.76 177.90 2jgi s ARG 424 N -2.71 3.31 -0.13 0.00 3.52 -0.47 -4.47 118.95 118.01 2jgi s ARG 424 Ca 0.27 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.60 2jgi s ARG 424 Cb -0.10 -4.10 -0.04 0.00 -1.56 0.00 0.00 34.95 29.16 2jgi s ARG 424 CO 0.18 -1.72 0.03 0.08 -0.81 0.00 0.00 175.30 173.06 2jgi s VAL 425 N 4.59 4.54 -0.10 7.11 1.01 -1.26 -0.50 120.40 135.78 2jgi s VAL 425 Ca 0.33 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.21 2jgi s VAL 425 Cb -0.11 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2jgi s VAL 425 CO 0.18 0.54 -0.23 -0.31 0.00 0.00 0.00 175.10 175.29 2jgi s TYR 426 N -0.32 2.46 0.12 5.22 1.51 0.27 0.32 117.35 126.93 2jgi s TYR 426 Ca 0.08 -1.03 0.10 0.00 -1.01 0.00 0.00 57.07 55.21 2jgi s TYR 426 Cb -0.12 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 2jgi s TYR 426 CO 0.02 -0.42 -0.25 0.00 -1.11 0.00 0.00 175.55 173.78 2jgi s ALA 427 N 0.41 2.21 0.19 3.71 0.00 -1.25 -0.44 121.76 126.59 2jgi s ALA 427 Ca -0.18 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 50.30 2jgi s ALA 427 Cb -0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 2jgi s ALA 427 CO 0.08 0.49 0.31 1.52 0.00 0.00 0.00 175.76 178.16 2jgi s TYR 428 N -1.08 0.49 -0.06 0.00 -0.85 -0.61 -2.12 117.35 113.12 2jgi s TYR 428 Ca 0.12 -0.83 0.01 0.00 -0.52 0.00 0.00 57.07 55.85 2jgi s TYR 428 Cb -0.10 -0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.20 2jgi s TYR 428 CO 0.05 -0.78 -0.08 -1.50 -1.52 0.00 0.00 175.55 171.73 2jgi s ILE 429 N -4.01 0.81 -0.25 -3.49 2.07 -0.58 -2.49 121.20 113.27 2jgi s ILE 429 Ca 0.21 -0.27 -0.14 0.00 -1.41 0.00 0.00 60.65 59.03 2jgi s ILE 429 Cb 0.03 -0.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 2jgi s ILE 429 CO 0.04 0.29 0.35 0.12 -1.91 0.00 0.00 174.94 173.82 2jgi s PHE 430 N 0.88 3.28 -0.26 3.50 2.19 0.29 -1.29 117.98 126.58 2jgi s PHE 430 Ca -0.11 0.43 0.03 0.00 0.33 0.00 0.00 56.93 57.60 2jgi s PHE 430 Cb -0.15 -2.52 0.05 0.00 -1.31 0.00 0.00 43.02 39.09 2jgi s PHE 430 CO 0.01 -0.14 0.85 0.39 1.83 0.00 0.00 175.22 178.16 2jgi n GLU 431 N 4.99 1.41 -3.16 10.12 1.02 0.54 -1.58 120.64 133.99 2jgi n GLU 431 Ca -0.09 -1.21 -0.40 0.00 -0.02 0.00 0.00 57.16 55.44 2jgi n GLU 431 Cb 0.51 -1.06 -0.06 0.00 -0.02 0.00 0.00 31.44 30.81 2jgi n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jgi s HIS 432 N -0.66 3.39 -0.08 -0.32 2.46 -1.23 -4.92 115.29 113.93 2jgi s HIS 432 Ca 0.04 0.90 -0.27 0.00 0.47 0.00 0.00 55.06 56.21 2jgi s HIS 432 Cb 0.03 -2.76 -0.03 0.00 -0.13 0.00 0.00 32.58 29.69 2jgi s HIS 432 CO 0.03 -0.13 0.86 0.50 -2.47 0.00 0.00 174.74 173.54 2jgi s ARG 433 N 1.73 4.44 0.24 2.88 3.52 -1.26 -4.92 118.95 125.58 2jgi s ARG 433 Ca 0.28 1.15 -0.31 0.00 -0.13 0.00 0.00 55.73 56.71 2jgi s ARG 433 Cb -0.16 -3.50 -0.13 0.00 -1.56 0.00 0.00 34.95 29.61 2jgi s ARG 433 CO 0.11 -0.12 1.52 0.00 -0.81 0.00 0.00 175.30 175.99 2jgi n ALA 434 N 4.35 1.74 0.14 6.12 0.00 -1.26 -4.84 120.51 126.75 2jgi n ALA 434 Ca 0.04 0.40 0.06 0.00 0.00 0.00 0.00 53.44 53.94 2jgi n ALA 434 Cb 0.50 -2.36 0.53 0.00 0.00 0.00 0.00 19.45 18.12 2jgi n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jgi h SER 435 N 4.84 0.21 0.12 0.00 4.64 -1.94 -2.45 113.55 118.97 2jgi h SER 435 Ca -0.45 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2jgi h SER 435 Cb 1.25 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2jgi h SER 435 CO 0.80 0.18 -0.03 0.35 -0.87 0.00 0.00 176.83 177.25 2jgi n THR 436 N -4.49 0.00 -1.69 2.95 -2.24 -1.26 -4.93 114.28 102.62 2jgi n THR 436 Ca -0.00 -0.09 -0.44 0.00 -2.27 0.00 0.00 64.05 61.25 2jgi n THR 436 Cb 0.10 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 2jgi n THR 436 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2jgi n LEU 437 N -0.65 3.55 -0.32 3.22 7.94 -0.92 -4.89 117.00 124.94 2jgi n LEU 437 Ca 0.19 1.07 0.12 0.00 -1.11 0.00 0.00 56.01 56.29 2jgi n LEU 437 Cb 0.24 -1.50 0.22 0.00 0.53 0.00 0.00 43.42 42.90 2jgi n LEU 437 CO 0.19 -0.05 0.49 0.35 -1.11 0.00 0.00 177.39 177.27 2jgi n THR 438 N 3.70 0.00 -2.65 1.96 -2.24 -1.26 -4.92 114.28 108.88 2jgi n THR 438 Ca 0.16 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 2jgi n THR 438 Cb 0.32 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 2jgi n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2jgi s TRP 439 N -2.53 3.41 0.61 4.78 0.52 -1.26 -4.90 118.94 119.57 2jgi s TRP 439 Ca 0.21 1.41 -0.19 0.00 0.02 0.00 0.00 56.10 57.56 2jgi s TRP 439 Cb 0.19 -2.73 -0.03 0.00 -1.15 0.00 0.00 33.47 29.75 2jgi s TRP 439 CO 0.56 -0.22 1.25 -1.25 0.02 0.00 0.00 176.95 177.31 2jgi s PRO 440 N -3.71 2.80 0.35 4.98 0.04 -1.26 -4.88 135.00 133.32 2jgi s PRO 440 Ca 0.58 1.95 0.16 0.00 0.04 0.00 0.00 61.00 63.73 2jgi s PRO 440 Cb -0.10 -1.91 1.19 0.00 0.04 0.00 0.00 34.50 33.72 2jgi s PRO 440 CO 0.25 -1.38 1.60 -0.07 0.04 0.00 0.00 177.00 177.44 2jgi h LEU 441 N 0.77 0.23 -1.91 -3.56 3.38 -1.94 -1.45 115.31 110.82 2jgi h LEU 441 Ca -0.51 0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2jgi h LEU 441 Cb 1.32 0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2jgi h LEU 441 CO 0.54 -0.36 0.00 4.11 0.09 0.00 0.00 178.44 182.82 2jgi h TRP 442 N 0.07 0.00 0.00 1.13 5.08 -1.92 -2.09 115.95 118.22 2jgi h TRP 442 Ca 0.78 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.75 2jgi h TRP 442 Cb 1.95 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.11 2jgi h TRP 442 CO -0.09 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.74 2jgi n MET 443 N -3.04 0.20 0.00 0.12 2.81 -0.55 -4.97 117.12 111.70 2jgi n MET 443 Ca -0.01 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 2jgi n MET 443 Cb 0.22 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 2jgi n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jgi n GLY 444 N 0.97 2.25 3.21 3.03 0.00 -0.79 -3.94 105.19 109.93 2jgi n GLY 444 Ca 0.05 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 2jgi n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgi s VAL 445 N 0.00 4.58 0.71 1.61 1.01 -1.26 -4.85 120.40 122.20 2jgi s VAL 445 Ca 0.00 -2.48 -0.11 0.00 0.00 0.00 0.00 61.98 59.38 2jgi s VAL 445 Cb 0.00 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.48 2jgi s VAL 445 CO 0.00 -0.91 1.09 -2.84 0.00 0.00 0.00 175.10 172.44 2jgi s PRO 446 N 0.37 2.83 0.11 2.72 0.02 -1.25 -1.53 135.00 138.27 2jgi s PRO 446 Ca 0.14 0.43 -0.35 0.00 0.02 0.00 0.00 61.00 61.24 2jgi s PRO 446 Cb -0.18 -2.03 -0.15 0.00 0.02 0.00 0.00 34.50 32.16 2jgi s PRO 446 CO -0.05 -1.05 1.48 1.58 -0.33 0.00 0.00 177.00 178.63 2jgi n HIS 447 N -3.01 1.91 0.00 6.54 -0.00 -1.16 -1.69 115.22 117.81 2jgi n HIS 447 Ca 0.07 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 58.23 2jgi n HIS 447 Cb 0.57 -2.44 0.00 0.00 -0.00 0.00 0.00 29.99 28.12 2jgi n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jgi n GLY 448 N 3.03 2.39 1.63 1.57 0.00 -1.26 -4.95 105.19 107.60 2jgi n GLY 448 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 2jgi n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jgi n TYR 449 N -2.00 1.73 -0.05 1.61 4.02 -0.68 -2.89 117.16 118.90 2jgi n TYR 449 Ca 0.00 -0.76 -0.01 0.00 -0.01 0.00 0.00 57.90 57.12 2jgi n TYR 449 Cb 0.00 -0.49 -0.14 0.00 -0.02 0.00 0.00 39.34 38.69 2jgi n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2jgi n GLU 450 N 0.19 0.92 -0.21 -0.72 0.00 -1.26 -4.67 120.64 114.89 2jgi n GLU 450 Ca 0.26 -0.08 0.01 0.00 0.00 0.00 0.00 57.16 57.36 2jgi n GLU 450 Cb 1.06 -1.44 0.12 0.00 0.00 0.00 0.00 31.44 31.18 2jgi n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2jgi h ILE 451 N 0.00 0.64 0.00 3.84 2.04 -1.91 -0.46 117.51 121.65 2jgi h ILE 451 Ca -0.26 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 2jgi h ILE 451 Cb 1.52 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2jgi h ILE 451 CO 0.01 0.05 -0.02 1.05 0.00 0.00 0.00 178.15 179.25 2jgi h GLU 452 N 0.28 0.00 0.04 2.37 4.11 -1.80 -1.45 114.58 118.12 2jgi h GLU 452 Ca 0.33 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.68 2jgi h GLU 452 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jgi h GLU 452 CO -0.41 0.02 -0.37 0.74 0.07 0.00 0.00 179.01 179.06 2jgi h PHE 453 N 0.00 0.14 -0.85 2.06 0.04 -1.40 -1.33 116.94 115.61 2jgi h PHE 453 Ca -0.00 -0.10 0.15 0.00 2.80 0.00 0.00 57.97 60.82 2jgi h PHE 453 Cb 0.10 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 2jgi h PHE 453 CO 0.00 1.14 0.55 0.82 -0.60 0.00 0.00 178.31 180.23 2jgi h ILE 454 N -0.83 0.80 -0.01 -0.55 1.08 -1.12 -0.98 117.51 115.90 2jgi h ILE 454 Ca -0.08 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2jgi h ILE 454 Cb 1.21 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 2jgi h ILE 454 CO 0.02 0.10 -0.10 0.49 -0.69 0.00 0.00 178.15 177.97 2jgi n PHE 455 N -4.53 0.00 -1.19 1.37 3.01 -0.59 -4.55 117.46 110.98 2jgi n PHE 455 Ca 0.17 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.57 2jgi n PHE 455 Cb 0.52 -0.11 -0.02 0.00 -0.01 0.00 0.00 39.48 39.86 2jgi n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgi n GLY 456 N 1.23 0.81 0.28 1.37 0.00 -0.37 -4.13 105.19 104.38 2jgi n GLY 456 Ca 0.16 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.44 2jgi n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jgi h LEU 457 N 0.00 0.26 -1.90 0.99 3.38 -1.48 -2.14 115.31 114.42 2jgi h LEU 457 Ca -0.12 0.11 0.38 0.00 0.09 0.00 0.00 57.88 58.35 2jgi h LEU 457 Cb 0.39 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2jgi h LEU 457 CO 0.17 0.09 1.01 -0.65 0.09 0.00 0.00 178.44 179.16 2jgi h PRO 458 N 0.43 0.00 0.00 1.13 0.11 -1.91 -0.55 132.00 131.20 2jgi h PRO 458 Ca 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.52 2jgi h PRO 458 Cb 0.64 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 2jgi h PRO 458 CO -0.41 0.00 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.27 2jgi h LEU 459 N 0.00 0.00 -8.67 2.35 3.38 -1.70 -3.40 115.31 107.28 2jgi h LEU 459 Ca 0.63 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 58.04 2jgi h LEU 459 Cb 2.65 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 43.34 2jgi h LEU 459 CO -0.01 0.03 1.06 -0.62 0.09 0.00 0.00 178.44 178.99 2jgi s ASP 460 N -6.32 6.29 0.48 -0.43 -1.08 -0.22 -4.86 116.67 110.54 2jgi s ASP 460 Ca -0.05 0.46 0.27 0.00 -0.52 0.00 0.00 52.55 52.71 2jgi s ASP 460 Cb 0.15 -2.55 1.01 0.00 -1.46 0.00 0.00 42.92 40.08 2jgi s ASP 460 CO 0.58 -1.54 1.86 -0.65 0.52 0.00 0.00 175.17 175.93 2jgi h PRO 461 N 10.57 0.00 0.00 4.34 0.11 -1.88 0.10 132.00 145.25 2jgi h PRO 461 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2jgi h PRO 461 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jgi h PRO 461 CO 1.14 0.12 0.00 0.66 -0.21 0.00 0.00 178.00 179.72 2jgi h SER 462 N 0.00 0.00 0.86 -2.05 4.64 -1.92 -2.94 113.55 112.13 2jgi h SER 462 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jgi h SER 462 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2jgi h SER 462 CO 0.02 0.00 -0.16 0.18 -0.87 0.00 0.00 176.83 176.00 2jgi n LEU 463 N -2.87 0.17 -0.59 5.97 4.77 0.36 -4.97 117.00 119.85 2jgi n LEU 463 Ca -0.02 0.35 -0.05 0.00 -0.03 0.00 0.00 56.01 56.26 2jgi n LEU 463 Cb 0.11 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2jgi n LEU 463 CO 0.19 0.03 -0.07 0.59 -1.33 0.00 0.00 177.39 176.81 2jgi n ASN 464 N -1.52 -2.43 -4.83 -1.43 3.02 -1.11 -5.00 115.26 101.97 2jgi n ASN 464 Ca 0.06 0.01 -0.33 0.00 -0.03 0.00 0.00 54.58 54.30 2jgi n ASN 464 Cb 0.34 -1.64 -0.06 0.00 -0.61 0.00 0.00 39.78 37.81 2jgi n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2jgi s TYR 465 N -2.26 3.35 0.68 3.10 2.02 -1.26 -4.82 117.35 118.15 2jgi s TYR 465 Ca 0.00 1.57 -0.15 0.00 -0.37 0.00 0.00 57.07 58.13 2jgi s TYR 465 Cb 0.00 -2.84 0.01 0.00 -0.40 0.00 0.00 41.96 38.74 2jgi s TYR 465 CO 0.00 -0.18 1.12 0.95 -1.57 0.00 0.00 175.55 175.87 2jgi s THR 466 N -2.29 3.10 0.31 -0.71 -4.23 -1.26 -4.82 115.64 105.73 2jgi s THR 466 Ca 0.61 0.50 0.05 0.00 -1.18 0.00 0.00 61.69 61.67 2jgi s THR 466 Cb -0.09 -3.01 0.30 0.00 1.34 0.00 0.00 72.50 71.04 2jgi s THR 466 CO 0.18 -0.33 1.83 0.74 -0.54 0.00 0.00 174.62 176.50 2jgi h THR 467 N -0.13 0.83 -0.73 3.99 2.02 -1.96 -0.41 112.91 116.51 2jgi h THR 467 Ca -0.47 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 2jgi h THR 467 Cb 1.25 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2jgi h THR 467 CO 0.53 0.15 0.22 -0.33 0.37 0.00 0.00 175.52 176.46 2jgi h GLU 468 N 0.83 1.13 -0.18 6.66 3.07 -1.99 -1.11 114.58 122.99 2jgi h GLU 468 Ca 0.51 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 59.11 2jgi h GLU 468 Cb 0.69 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 2jgi h GLU 468 CO -0.28 0.97 0.07 0.93 -1.40 0.00 0.00 179.01 179.30 2jgi h GLU 469 N 1.08 0.27 -0.98 2.33 5.08 -1.63 -0.56 114.58 120.17 2jgi h GLU 469 Ca 0.23 -0.05 0.25 0.00 -1.00 0.00 0.00 59.36 58.79 2jgi h GLU 469 Cb 0.32 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.40 2jgi h GLU 469 CO -0.01 0.35 0.55 -0.09 -1.00 0.00 0.00 179.01 178.82 2jgi h ARG 470 N 0.12 0.51 -0.01 2.33 1.12 -0.69 0.29 114.38 118.06 2jgi h ARG 470 Ca 0.06 -0.03 -0.19 0.00 -1.11 0.00 0.00 59.98 58.71 2jgi h ARG 470 Cb 0.19 -0.12 0.01 0.00 -0.01 0.00 0.00 29.97 30.05 2jgi h ARG 470 CO -0.00 0.34 -0.74 0.82 -3.11 0.00 0.00 179.97 177.27 2jgi h ILE 471 N 0.53 1.37 -0.74 1.20 2.04 -0.81 -2.94 117.51 118.15 2jgi h ILE 471 Ca 0.64 -2.12 0.04 0.00 1.00 0.00 0.00 64.86 64.41 2jgi h ILE 471 Cb 1.23 2.50 -0.05 0.00 -0.74 0.00 0.00 36.82 39.76 2jgi h ILE 471 CO -0.50 0.63 0.46 0.15 0.00 0.00 0.00 178.15 178.90 2jgi h PHE 472 N 0.07 0.86 -0.74 1.37 3.57 -0.51 -1.40 116.94 120.17 2jgi h PHE 472 Ca -0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2jgi h PHE 472 Cb 1.43 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 2jgi h PHE 472 CO 0.13 0.48 0.39 0.00 -2.23 0.00 0.00 178.31 177.08 2jgi h ALA 473 N 1.33 0.95 -0.62 2.41 0.00 -0.44 -1.15 119.26 121.75 2jgi h ALA 473 Ca 0.31 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2jgi h ALA 473 Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2jgi h ALA 473 CO -0.13 0.49 0.16 1.96 0.00 0.00 0.00 179.25 181.72 2jgi h GLN 474 N 1.03 0.98 -0.38 0.00 4.20 -1.28 -1.06 115.11 118.61 2jgi h GLN 474 Ca 0.26 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.75 2jgi h GLN 474 Cb 0.07 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2jgi h GLN 474 CO -0.04 0.89 0.24 -0.09 -0.67 0.00 0.00 178.83 179.16 2jgi h ARG 475 N 0.90 0.47 -0.41 1.46 2.43 -0.64 -1.28 114.38 117.31 2jgi h ARG 475 Ca 0.19 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 2jgi h ARG 475 Cb 0.35 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2jgi h ARG 475 CO 0.00 0.31 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.44 2jgi h LEU 476 N 0.48 0.89 -1.16 3.80 3.38 -0.98 -1.64 115.31 120.09 2jgi h LEU 476 Ca 0.14 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2jgi h LEU 476 Cb -0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2jgi h LEU 476 CO -0.05 1.10 0.34 0.24 0.09 0.00 0.00 178.44 180.17 2jgi h MET 477 N 0.74 0.92 0.45 1.13 2.86 -0.91 -0.38 114.93 119.74 2jgi h MET 477 Ca 0.09 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2jgi h MET 477 Cb 0.82 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2jgi h MET 477 CO 0.07 0.70 -0.22 0.87 1.06 0.00 0.00 176.91 179.39 2jgi h LYS 478 N 0.93 -0.59 -0.48 1.72 1.79 -0.89 -1.57 116.57 117.47 2jgi h LYS 478 Ca 0.23 0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.84 2jgi h LYS 478 Cb 0.06 0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 30.74 2jgi h LYS 478 CO -0.03 -0.35 -0.22 1.88 -1.08 0.00 0.00 179.45 179.65 2jgi h TYR 479 N -0.69 -0.54 0.49 -1.35 0.05 -0.61 0.36 116.97 114.67 2jgi h TYR 479 Ca -0.06 0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 2jgi h TYR 479 Cb 0.51 0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.57 2jgi h TYR 479 CO -0.03 -0.30 -0.24 -1.49 -1.05 0.00 0.00 178.16 175.06 2jgi h TRP 480 N -0.11 -0.61 -0.41 4.88 6.55 -1.08 -1.57 115.95 123.59 2jgi h TRP 480 Ca 0.23 -0.01 -0.06 0.00 0.95 0.00 0.00 58.89 59.99 2jgi h TRP 480 Cb 0.46 0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.95 2jgi h TRP 480 CO -0.49 -0.34 0.01 1.79 -1.05 0.00 0.00 178.44 178.36 2jgi h THR 481 N -0.75 1.22 -0.10 1.49 1.35 -1.00 0.13 112.91 115.26 2jgi h THR 481 Ca -0.07 -0.89 0.03 0.00 -0.55 0.00 0.00 66.41 64.94 2jgi h THR 481 Cb 0.55 0.90 -0.03 0.00 -1.73 0.00 0.00 68.15 67.84 2jgi h THR 481 CO 0.11 0.31 -0.08 0.78 -0.25 0.00 0.00 175.52 176.39 2jgi h ASN 482 N 0.63 -0.25 -0.47 5.36 2.35 -0.26 0.14 115.58 123.07 2jgi h ASN 482 Ca 0.13 0.05 0.04 0.00 -0.55 0.00 0.00 56.30 55.97 2jgi h ASN 482 Cb 0.38 0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.84 2jgi h ASN 482 CO 0.01 -0.11 0.24 0.15 -1.65 0.00 0.00 177.43 176.08 2jgi h PHE 483 N -0.09 0.45 -0.50 1.19 3.57 -0.52 0.63 116.94 121.67 2jgi h PHE 483 Ca 0.07 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.66 2jgi h PHE 483 Cb 0.19 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 2jgi h PHE 483 CO -0.19 0.23 0.16 0.00 -2.23 0.00 0.00 178.31 176.28 2jgi h ALA 484 N 1.24 0.60 -0.25 2.41 0.00 -0.59 0.32 119.26 123.00 2jgi h ALA 484 Ca 0.20 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2jgi h ALA 484 Cb 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jgi h ALA 484 CO -0.13 -0.24 0.05 0.00 0.00 0.00 0.00 179.25 178.93 2jgi h ARG 485 N 0.32 0.41 0.00 0.00 3.08 0.24 -3.40 114.38 115.03 2jgi h ARG 485 Ca 0.24 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2jgi h ARG 485 Cb 0.28 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2jgi h ARG 485 CO -0.27 0.52 -0.55 0.25 -1.07 0.00 0.00 179.97 178.85 2jgi n THR 486 N -4.70 0.00 -0.87 2.04 -2.24 0.12 -5.01 114.28 103.61 2jgi n THR 486 Ca -0.03 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2jgi n THR 486 Cb 0.19 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 2jgi n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jgi n GLY 487 N 1.50 0.46 2.92 3.38 0.00 0.11 -5.03 105.19 108.54 2jgi n GLY 487 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 2jgi n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jgi s ASP 488 N -2.83 0.63 0.41 1.61 2.15 -1.26 -4.94 116.67 112.45 2jgi s ASP 488 Ca 0.00 0.37 0.29 0.00 0.43 0.00 0.00 52.55 53.64 2jgi s ASP 488 Cb 0.00 0.55 1.10 0.00 -0.30 0.00 0.00 42.92 44.27 2jgi s ASP 488 CO 0.00 -0.26 1.84 1.55 -0.17 0.00 0.00 175.17 178.13 2jgi h PRO 489 N 8.31 0.00 -7.03 4.34 0.13 -1.83 -3.17 132.00 132.75 2jgi h PRO 489 Ca -0.14 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.50 2jgi h PRO 489 Cb 1.12 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.29 2jgi h PRO 489 CO 0.17 0.00 0.43 -0.80 -0.23 0.00 0.00 178.00 177.56 2jgi s ASN 490 N -5.11 6.30 -0.31 1.44 0.01 -1.26 -4.33 114.94 111.68 2jgi s ASN 490 Ca 0.04 2.10 -0.28 0.00 -0.71 0.00 0.00 52.86 54.00 2jgi s ASN 490 Cb 0.09 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.18 2jgi s ASN 490 CO 0.50 -0.82 1.01 -0.62 -1.51 0.00 0.00 177.10 175.67 2jgi s ASP 491 N -1.68 6.89 0.50 -1.22 3.68 -1.26 -4.92 116.67 118.65 2jgi s ASP 491 Ca 0.65 0.99 0.21 0.00 2.13 0.00 0.00 52.55 56.53 2jgi s ASP 491 Cb -0.22 -2.51 1.29 0.00 -1.45 0.00 0.00 42.92 40.03 2jgi s ASP 491 CO 0.27 -0.81 2.07 1.55 0.13 0.00 0.00 175.17 178.38 2jgi h PRO 492 N 8.05 0.00 0.00 4.34 0.13 -1.94 -3.32 132.00 139.26 2jgi h PRO 492 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2jgi h PRO 492 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jgi h PRO 492 CO 1.00 0.13 0.00 0.54 -0.23 0.00 0.00 178.00 179.43 2jgi n ARG 493 N -4.02 0.00 -1.50 0.86 1.74 -1.26 -4.77 116.66 107.71 2jgi n ARG 493 Ca -0.02 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.62 2jgi n ARG 493 Cb 0.21 -0.11 -0.06 0.00 -1.02 0.00 0.00 32.46 31.48 2jgi n ARG 493 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jgi n ASP 494 N 0.00 2.08 -0.54 0.55 -0.08 -1.25 -4.82 116.55 112.49 2jgi n ASP 494 Ca 0.00 0.08 0.08 0.00 -1.51 0.00 0.00 54.79 53.44 2jgi n ASP 494 Cb 0.00 -1.35 0.04 0.00 2.34 0.00 0.00 41.12 42.15 2jgi n ASP 494 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2jgi n SER 495 N 11.98 2.07 0.26 1.67 3.41 -1.26 -4.48 113.62 127.26 2jgi n SER 495 Ca 0.42 -1.54 -0.16 0.00 -0.26 0.00 0.00 58.87 57.33 2jgi n SER 495 Cb 0.32 0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 64.40 2jgi n SER 495 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2jgi h LYS 496 N 2.67 -0.61 -7.03 4.33 3.64 -1.96 -3.45 116.57 114.16 2jgi h LYS 496 Ca 0.00 0.04 -0.56 0.00 -1.27 0.00 0.00 60.65 58.86 2jgi h LYS 496 Cb 0.64 0.14 0.16 0.00 -0.41 0.00 0.00 32.23 32.76 2jgi h LYS 496 CO 0.00 -0.40 0.38 0.43 -2.27 0.00 0.00 179.45 177.58 2jgi n SER 497 N -5.37 1.58 -4.76 4.20 7.64 -1.26 -4.90 113.62 110.75 2jgi n SER 497 Ca -0.11 0.80 -0.41 0.00 1.01 0.00 0.00 58.87 60.16 2jgi n SER 497 Cb 0.28 -1.50 -0.02 0.00 -1.01 0.00 0.00 64.21 61.96 2jgi n SER 497 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2jgi s PRO 498 N -3.24 4.21 0.54 1.43 0.02 -1.26 -4.96 135.00 131.74 2jgi s PRO 498 Ca 0.80 2.41 -0.20 0.00 0.02 0.00 0.00 61.00 64.04 2jgi s PRO 498 Cb -0.38 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.02 2jgi s PRO 498 CO 0.43 -0.46 1.12 -0.65 -0.33 0.00 0.00 177.00 177.11 2jgi s GLN 499 N -0.97 3.39 -0.57 5.54 -1.52 -1.26 -4.84 119.66 119.43 2jgi s GLN 499 Ca 0.57 1.59 -0.13 0.00 -1.95 0.00 0.00 55.36 55.45 2jgi s GLN 499 Cb -0.44 -2.01 0.14 0.00 -0.22 0.00 0.00 33.01 30.48 2jgi s GLN 499 CO 0.50 -0.82 0.49 -0.46 -0.25 0.00 0.00 175.29 174.75 2jgi s TRP 500 N -1.79 3.39 0.40 0.91 -0.11 -1.26 -4.91 118.94 115.56 2jgi s TRP 500 Ca 0.72 -1.63 -0.25 0.00 1.22 0.00 0.00 56.10 56.16 2jgi s TRP 500 Cb -0.23 -3.69 -0.08 0.00 -1.50 0.00 0.00 33.47 27.96 2jgi s TRP 500 CO 0.26 -1.00 1.20 -1.25 -4.62 0.00 0.00 176.95 171.54 2jgi s PRO 501 N 1.25 4.04 0.56 5.86 0.04 -1.26 -4.87 135.00 140.62 2jgi s PRO 501 Ca 0.07 1.91 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 2jgi s PRO 501 Cb -0.26 -2.70 -0.06 0.00 0.04 0.00 0.00 34.50 31.52 2jgi s PRO 501 CO -0.00 -0.35 0.92 -2.30 0.04 0.00 0.00 177.00 175.31 2jgi n PRO 502 N 0.11 0.95 -2.66 0.56 -0.02 -1.26 -4.67 135.00 128.01 2jgi n PRO 502 Ca 0.04 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 2jgi n PRO 502 Cb 0.46 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 2jgi n PRO 502 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jgi s TYR 503 N -1.49 3.60 0.23 6.00 6.14 0.15 -4.45 117.35 127.53 2jgi s TYR 503 Ca 0.72 1.62 0.10 0.00 0.64 0.00 0.00 57.07 60.15 2jgi s TYR 503 Cb -0.45 -3.18 -0.05 0.00 0.42 0.00 0.00 41.96 38.71 2jgi s TYR 503 CO 0.50 -0.25 -0.18 0.95 0.64 0.00 0.00 175.55 177.21 2jgi s THR 504 N 1.13 2.09 0.20 4.34 -4.23 -1.26 -4.42 115.64 113.49 2jgi s THR 504 Ca 0.53 -2.24 0.04 0.00 -1.18 0.00 0.00 61.69 58.83 2jgi s THR 504 Cb -0.22 -2.13 -0.10 0.00 1.34 0.00 0.00 72.50 71.39 2jgi s THR 504 CO 0.27 -0.45 1.47 0.71 -0.54 0.00 0.00 174.62 176.08 2jgi h THR 505 N 2.57 1.45 -0.06 3.99 1.35 -1.89 0.11 112.91 120.42 2jgi h THR 505 Ca -0.40 -2.33 0.02 0.00 -0.55 0.00 0.00 66.41 63.15 2jgi h THR 505 Cb 1.23 2.25 -0.05 0.00 -1.73 0.00 0.00 68.15 69.86 2jgi h THR 505 CO 0.59 0.68 -0.41 0.00 -0.25 0.00 0.00 175.52 176.13 2jgi h ALA 506 N 1.09 -0.81 0.00 6.62 0.00 -2.00 -3.38 119.26 120.78 2jgi h ALA 506 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jgi h ALA 506 Cb 1.32 0.88 0.00 0.00 0.00 0.00 0.00 17.79 19.99 2jgi h ALA 506 CO 0.11 -0.95 -0.50 0.00 0.00 0.00 0.00 179.25 177.92 2jgi n ALA 507 N -2.88 2.32 -3.90 0.00 0.00 -1.22 -5.04 120.51 109.79 2jgi n ALA 507 Ca -0.05 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 2jgi n ALA 507 Cb 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 19.45 19.62 2jgi n ALA 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jgi n GLN 508 N -1.26 -2.54 -3.12 0.00 6.02 0.36 -4.38 117.38 112.46 2jgi n GLN 508 Ca 0.00 0.39 -0.39 0.00 -0.01 0.00 0.00 57.00 56.99 2jgi n GLN 508 Cb 0.06 -4.28 -0.05 0.00 1.02 0.00 0.00 30.24 26.99 2jgi n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jgi s GLN 509 N -6.49 4.35 0.25 -1.09 -0.21 -1.26 -1.16 119.66 114.05 2jgi s GLN 509 Ca 0.15 0.72 0.02 0.00 0.02 0.00 0.00 55.36 56.27 2jgi s GLN 509 Cb -0.06 -3.48 -0.05 0.00 1.00 0.00 0.00 33.01 30.42 2jgi s GLN 509 CO 0.89 -0.00 0.04 1.52 -2.12 0.00 0.00 175.29 175.62 2jgi s TYR 510 N 1.08 1.56 0.22 0.91 1.13 -0.59 -3.68 117.35 117.98 2jgi s TYR 510 Ca 0.33 -1.04 0.11 0.00 -1.41 0.00 0.00 57.07 55.06 2jgi s TYR 510 Cb -0.17 -0.92 -0.05 0.00 -1.10 0.00 0.00 41.96 39.73 2jgi s TYR 510 CO 0.14 -0.17 -0.21 0.14 -2.51 0.00 0.00 175.55 172.94 2jgi s VAL 511 N -3.57 2.51 -0.06 -3.49 -7.23 -0.90 -0.34 120.40 107.32 2jgi s VAL 511 Ca 0.32 -2.09 -0.18 0.00 -1.81 0.00 0.00 61.98 58.23 2jgi s VAL 511 Cb 0.07 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 2jgi s VAL 511 CO 0.11 -0.20 0.47 -0.94 -0.31 0.00 0.00 175.10 174.23 2jgi s SER 512 N -2.95 6.77 -0.37 4.85 1.04 -0.59 -1.52 113.70 120.92 2jgi s SER 512 Ca 0.24 0.91 -0.10 0.00 0.48 0.00 0.00 55.95 57.49 2jgi s SER 512 Cb -0.07 -2.29 0.03 0.00 0.10 0.00 0.00 66.02 63.79 2jgi s SER 512 CO 0.12 0.11 0.18 -0.76 0.98 0.00 0.00 173.24 173.88 2jgi s LEU 513 N -0.01 4.63 0.00 2.42 1.43 -0.41 -4.20 118.68 122.53 2jgi s LEU 513 Ca 0.26 -1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.18 2jgi s LEU 513 Cb -0.16 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.13 2jgi s LEU 513 CO 0.12 -0.38 0.66 -0.46 0.23 0.00 0.00 176.35 176.53 2jgi n ASN 514 N 4.94 -1.72 0.31 2.29 0.23 -1.26 -0.34 115.26 119.72 2jgi n ASN 514 Ca -0.12 -2.14 0.21 0.00 -0.53 0.00 0.00 54.58 52.00 2jgi n ASN 514 Cb 0.45 2.85 1.06 0.00 -2.08 0.00 0.00 39.78 42.06 2jgi n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2jgi h LEU 515 N 0.00 0.00-10.41 -4.53 3.38 -1.96 -3.42 115.31 98.38 2jgi h LEU 515 Ca -0.25 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.23 2jgi h LEU 515 Cb 0.97 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.77 2jgi h LEU 515 CO 0.32 0.00 0.23 -0.54 0.09 0.00 0.00 178.44 178.55 2jgi s LYS 516 N -3.99 3.09 1.09 1.13 1.02 -1.26 -5.02 119.74 115.80 2jgi s LYS 516 Ca -0.03 0.19 -0.12 0.00 0.02 0.00 0.00 55.97 56.03 2jgi s LYS 516 Cb 0.12 -2.23 0.24 0.00 -0.52 0.00 0.00 37.83 35.44 2jgi s LYS 516 CO 0.43 -0.66 1.06 -2.14 -0.92 0.00 0.00 175.35 173.12 2jgi s PRO 517 N -5.03 -0.32 0.13 -1.68 0.02 -1.26 -4.88 135.00 121.99 2jgi s PRO 517 Ca 0.54 0.88 -0.34 0.00 0.02 0.00 0.00 61.00 62.09 2jgi s PRO 517 Cb -0.11 -1.62 -0.14 0.00 0.02 0.00 0.00 34.50 32.66 2jgi s PRO 517 CO 0.47 -3.33 1.61 1.28 -0.33 0.00 0.00 177.00 176.70 2jgi n LEU 518 N -4.65 3.13 -4.33 -5.54 4.77 -1.26 -4.91 117.00 104.21 2jgi n LEU 518 Ca 0.05 1.07 -0.33 0.00 -0.03 0.00 0.00 56.01 56.77 2jgi n LEU 518 Cb 0.54 -1.42 -0.15 0.00 -2.33 0.00 0.00 43.42 40.07 2jgi n LEU 518 CO 0.56 -0.27 -0.45 -0.70 -1.33 0.00 0.00 177.39 175.21 2jgi s GLU 519 N 1.26 3.33 -0.01 3.23 2.12 -1.26 -4.85 118.70 122.52 2jgi s GLU 519 Ca 0.80 -0.70 -0.24 0.00 0.36 0.00 0.00 54.97 55.20 2jgi s GLU 519 Cb -0.68 -2.68 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 2jgi s GLU 519 CO 0.39 0.10 0.72 0.08 -0.54 0.00 0.00 175.26 176.01 2jgi s VAL 520 N 0.65 4.89 0.19 3.70 1.01 -1.26 -1.55 120.40 128.03 2jgi s VAL 520 Ca -0.07 1.52 0.10 0.00 0.00 0.00 0.00 61.98 63.53 2jgi s VAL 520 Cb -0.15 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2jgi s VAL 520 CO 0.02 0.32 -0.21 -0.13 0.00 0.00 0.00 175.10 175.10 2jgi s ARG 521 N 0.30 1.44 -0.10 2.72 0.52 0.54 -4.98 118.95 119.39 2jgi s ARG 521 Ca 0.38 -1.50 -0.01 0.00 -0.52 0.00 0.00 55.73 54.07 2jgi s ARG 521 Cb -0.19 -1.63 -0.03 0.00 0.52 0.00 0.00 34.95 33.62 2jgi s ARG 521 CO 0.20 0.34 -0.05 1.03 0.02 0.00 0.00 175.30 176.85 2jgi s ARG 522 N -2.79 3.11 0.00 3.54 3.00 -1.26 -1.54 118.95 123.00 2jgi s ARG 522 Ca 0.20 -0.52 0.00 0.00 0.00 0.00 0.00 55.73 55.40 2jgi s ARG 522 Cb -0.07 -2.73 0.00 0.00 0.00 0.00 0.00 34.95 32.15 2jgi s ARG 522 CO 0.09 0.52 0.00 0.41 0.00 0.00 0.00 175.30 176.32 2jgi n GLY 523 N 2.68 -1.78 3.45 -3.53 0.00 -0.31 -4.94 105.19 100.76 2jgi n GLY 523 Ca -0.18 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 2jgi n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jgi s LEU 524 N 0.00 4.66 -1.75 0.99 2.96 -1.26 -4.26 118.68 120.01 2jgi s LEU 524 Ca 0.00 -1.42 -0.16 0.00 -0.22 0.00 0.00 54.13 52.33 2jgi s LEU 524 Cb 0.00 -2.41 0.16 0.00 0.50 0.00 0.00 46.19 44.44 2jgi s LEU 524 CO 0.00 -1.29 0.50 0.54 -1.32 0.00 0.00 176.35 174.78 2jgi n ARG 525 N 7.24 -1.40 -0.28 1.98 5.12 -1.26 -4.74 116.66 123.33 2jgi n ARG 525 Ca 0.07 0.19 0.00 0.00 -1.93 0.00 0.00 57.85 56.19 2jgi n ARG 525 Cb 0.47 -4.54 0.07 0.00 -1.16 0.00 0.00 32.46 27.29 2jgi n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jgi h ALA 526 N 0.86 0.35 -0.02 7.54 0.00 -1.93 0.24 119.26 126.30 2jgi h ALA 526 Ca -0.61 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2jgi h ALA 526 Cb 1.39 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 2jgi h ALA 526 CO 0.82 -0.50 -0.02 1.96 0.00 0.00 0.00 179.25 181.51 2jgi h GLN 527 N -0.04 0.05 -0.59 0.00 1.08 -1.97 -1.90 115.11 111.74 2jgi h GLN 527 Ca 0.34 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.46 2jgi h GLN 527 Cb 0.58 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 2jgi h GLN 527 CO -0.81 0.53 0.14 1.15 -0.95 0.00 0.00 178.83 178.89 2jgi h THR 528 N -0.43 1.25 0.00 -0.54 2.02 -1.78 -2.10 112.91 111.33 2jgi h THR 528 Ca 0.00 -0.90 -0.06 0.00 0.77 0.00 0.00 66.41 66.22 2jgi h THR 528 Cb 0.52 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2jgi h THR 528 CO 0.01 0.34 -0.29 0.00 0.37 0.00 0.00 175.52 175.94 2jgi h ALA 530 N 1.71 0.32 -0.06 0.00 0.00 -0.76 0.14 119.26 120.62 2jgi h ALA 530 Ca -0.00 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2jgi h ALA 530 Cb 0.81 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2jgi h ALA 530 CO 0.04 -0.34 -0.32 0.35 0.00 0.00 0.00 179.25 178.98 2jgi h PHE 531 N 0.18 -0.87 -0.24 0.00 3.57 -0.38 0.21 116.94 119.41 2jgi h PHE 531 Ca 0.14 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 2jgi h PHE 531 Cb 0.15 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2jgi h PHE 531 CO -0.17 -0.40 -0.44 -1.49 -2.23 0.00 0.00 178.31 173.58 2jgi h TRP 532 N -0.43 0.91 0.02 0.41 4.06 -1.15 0.93 115.95 120.70 2jgi h TRP 532 Ca 0.08 -0.32 -0.26 0.00 2.06 0.00 0.00 58.89 60.44 2jgi h TRP 532 Cb 0.55 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 2jgi h TRP 532 CO -0.37 1.11 -1.38 -0.91 -3.56 0.00 0.00 178.44 173.33 2jgi h ASN 533 N 0.45 0.06 0.00 -3.49 2.35 -0.69 -3.38 115.58 110.88 2jgi h ASN 533 Ca 0.01 -0.09 -0.21 0.00 -0.55 0.00 0.00 56.30 55.46 2jgi h ASN 533 Cb 1.04 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.36 2jgi h ASN 533 CO 0.10 1.08 -1.59 0.54 -1.65 0.00 0.00 177.43 175.91 2jgi n ARG 534 N -3.24 0.32 0.08 0.81 1.74 0.03 -4.73 116.66 111.67 2jgi n ARG 534 Ca -0.10 0.14 -0.07 0.00 -0.77 0.00 0.00 57.85 57.06 2jgi n ARG 534 Cb 1.00 -1.05 -0.04 0.00 -1.02 0.00 0.00 32.46 31.35 2jgi n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2jgi h PHE 535 N -0.56 -0.27 -0.84 -1.55 3.57 -1.10 -3.37 116.94 112.82 2jgi h PHE 535 Ca -0.31 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.35 2jgi h PHE 535 Cb 1.18 0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.90 2jgi h PHE 535 CO -0.09 -0.04 0.41 1.25 -2.23 0.00 0.00 178.31 177.61 2jgi h LEU 536 N -1.03 0.44 -0.31 0.59 5.85 -1.01 -1.04 115.31 118.81 2jgi h LEU 536 Ca -0.03 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.87 2jgi h LEU 536 Cb 0.35 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 2jgi h LEU 536 CO 0.05 0.15 -0.32 -0.65 -0.34 0.00 0.00 178.44 177.33 2jgi h PRO 537 N 0.54 -0.29 -0.09 5.25 0.11 -1.74 -1.26 132.00 134.53 2jgi h PRO 537 Ca 0.48 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.63 2jgi h PRO 537 Cb 0.74 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 2jgi h PRO 537 CO -0.41 -0.19 0.09 0.87 -0.21 0.00 0.00 178.00 178.15 2jgi h LYS 538 N -0.30 0.00 0.00 1.05 1.57 -1.35 0.22 116.57 117.76 2jgi h LYS 538 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2jgi h LYS 538 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2jgi h LYS 538 CO -0.48 0.00 0.00 -0.11 -0.57 0.00 0.00 179.45 178.29 2jgi n LEU 539 N -4.08 0.73 -0.36 2.94 7.94 -0.51 -1.48 117.00 122.17 2jgi n LEU 539 Ca -0.01 0.64 0.12 0.00 -1.11 0.00 0.00 56.01 55.65 2jgi n LEU 539 Cb 0.19 -0.49 0.12 0.00 0.53 0.00 0.00 43.42 43.77 2jgi n LEU 539 CO 0.30 -0.44 0.40 0.18 -1.11 0.00 0.00 177.39 176.72 2jgi n LEU 540 N -2.26 1.58 -4.47 -1.96 4.77 0.74 -4.67 117.00 110.72 2jgi n LEU 540 Ca 0.03 -0.55 -0.43 0.00 -0.03 0.00 0.00 56.01 55.03 2jgi n LEU 540 Cb 0.30 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2jgi n LEU 540 CO 0.23 0.30 0.93 -0.44 -1.33 0.00 0.00 177.39 177.09 2jgi s SER 541 N -2.54 6.33 0.00 -1.43 0.01 -0.55 -5.12 113.70 110.39 2jgi s SER 541 Ca 0.19 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2jgi s SER 541 Cb 0.18 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2jgi s SER 541 CO 0.58 -1.39 0.00 0.00 0.41 0.00 0.00 173.24 172.84