#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgi s ASP 5 N 0.00 6.87 0.06 4.31 3.68 -1.26 -4.92 116.67 125.41 2jgi s ASP 5 Ca 0.00 1.67 0.28 0.00 2.13 0.00 0.00 52.55 56.63 2jgi s ASP 5 Cb 0.00 -2.54 1.08 0.00 -1.45 0.00 0.00 42.92 40.01 2jgi s ASP 5 CO 0.00 -0.83 1.86 -0.81 0.13 0.00 0.00 175.17 175.52 2jgi n PRO 6 N 6.77 0.08 0.18 4.34 -0.04 -1.26 -1.94 135.00 143.13 2jgi n PRO 6 Ca 0.14 0.06 0.04 0.00 -0.04 0.00 0.00 63.50 63.70 2jgi n PRO 6 Cb 0.45 -1.58 0.34 0.00 -0.04 0.00 0.00 33.50 32.67 2jgi n PRO 6 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2jgi h GLN 7 N 0.00 0.00 -0.61 0.54 1.08 -2.02 -3.07 115.11 111.03 2jgi h GLN 7 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jgi h GLN 7 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2jgi h GLN 7 CO 0.00 0.41 0.00 1.28 -0.95 0.00 0.00 178.83 179.57 2jgi n LEU 8 N -3.81 3.17 -4.07 1.46 4.77 -0.82 -4.81 117.00 112.88 2jgi n LEU 8 Ca -0.01 -1.60 -0.31 0.00 -0.03 0.00 0.00 56.01 54.05 2jgi n LEU 8 Cb 0.47 -0.46 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 2jgi n LEU 8 CO 0.38 0.54 -0.51 -0.22 -1.33 0.00 0.00 177.39 176.25 2jgi s LEU 9 N -1.35 1.95 0.09 2.23 2.96 -1.16 -0.38 118.68 123.02 2jgi s LEU 9 Ca 0.32 -0.60 0.08 0.00 -0.22 0.00 0.00 54.13 53.70 2jgi s LEU 9 Cb 0.21 -1.33 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 2jgi s LEU 9 CO 0.15 -0.04 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.25 2jgi s VAL 10 N 1.38 1.60 -0.47 1.68 1.01 -0.36 -4.97 120.40 120.28 2jgi s VAL 10 Ca 0.04 -1.44 -0.06 0.00 0.00 0.00 0.00 61.98 60.52 2jgi s VAL 10 Cb -0.13 -1.45 0.12 0.00 0.00 0.00 0.00 36.38 34.92 2jgi s VAL 10 CO -0.12 -0.05 0.30 -0.60 0.00 0.00 0.00 175.10 174.64 2jgi s ARG 11 N -1.76 2.31 0.56 2.72 3.52 -1.26 0.10 118.95 125.13 2jgi s ARG 11 Ca 0.05 -1.87 -0.01 0.00 -0.13 0.00 0.00 55.73 53.77 2jgi s ARG 11 Cb -0.10 -3.78 0.03 0.00 -1.56 0.00 0.00 34.95 29.54 2jgi s ARG 11 CO 0.04 -1.15 0.81 0.14 -0.81 0.00 0.00 175.30 174.33 2jgi s VAL 12 N 1.12 2.99 0.32 7.11 -7.23 0.25 -4.92 120.40 120.05 2jgi s VAL 12 Ca 0.08 -0.49 0.05 0.00 -1.81 0.00 0.00 61.98 59.81 2jgi s VAL 12 Cb -0.24 -3.15 0.30 0.00 0.56 0.00 0.00 36.38 33.85 2jgi s VAL 12 CO -0.03 -0.12 1.85 0.03 -0.31 0.00 0.00 175.10 176.52 2jgi h ARG 13 N 0.00 0.81 0.00 4.82 3.08 -1.95 0.34 114.38 121.49 2jgi h ARG 13 Ca -0.44 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2jgi h ARG 13 Cb 1.29 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2jgi h ARG 13 CO 0.55 0.54 0.00 0.41 -1.07 0.00 0.00 179.97 180.40 2jgi n GLY 14 N -1.38 -0.89 0.00 0.04 0.00 -1.26 -4.95 105.19 96.75 2jgi n GLY 14 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.69 0.57 3.88 -0.02 0.00 0.12 -0.25 105.19 110.18 2jgi n GLY 15 Ca 0.17 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.19 3.77 0.01 1.61 -0.21 -1.25 -0.58 119.66 122.82 2jgi s GLN 16 Ca 0.00 0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.62 2jgi s GLN 16 Cb 0.00 -2.71 -0.01 0.00 1.00 0.00 0.00 33.01 31.29 2jgi s GLN 16 CO 0.00 0.36 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.91 2jgi s LEU 17 N -2.72 2.08 -0.24 2.90 1.43 0.11 -1.31 118.68 120.93 2jgi s LEU 17 Ca 0.45 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 2jgi s LEU 17 Cb -0.12 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.64 2jgi s LEU 17 CO 0.22 0.07 -0.11 -0.60 0.23 0.00 0.00 176.35 176.16 2jgi s ARG 18 N -0.58 2.65 0.84 1.70 3.52 -0.87 -1.22 118.95 124.99 2jgi s ARG 18 Ca 0.02 -1.08 -0.09 0.00 -0.13 0.00 0.00 55.73 54.45 2jgi s ARG 18 Cb -0.05 -2.86 0.16 0.00 -1.56 0.00 0.00 34.95 30.63 2jgi s ARG 18 CO 0.00 -0.42 1.16 0.20 -0.81 0.00 0.00 175.30 175.43 2jgi s GLY 19 N 1.24 1.76 0.09 8.12 0.00 0.49 -1.20 107.32 117.81 2jgi s GLY 19 Ca -0.02 -1.38 0.07 0.00 0.00 0.00 0.00 44.72 43.39 2jgi s GLY 19 CO -0.07 -0.73 -0.13 -1.50 0.00 0.00 0.00 173.10 170.68 2jgi s ILE 20 N -3.53 3.18 -0.35 0.90 2.07 -0.77 -4.85 121.20 117.85 2jgi s ILE 20 Ca 0.69 -1.26 -0.22 0.00 -1.41 0.00 0.00 60.65 58.46 2jgi s ILE 20 Cb -0.05 -2.44 0.00 0.00 0.13 0.00 0.00 42.46 40.10 2jgi s ILE 20 CO 0.49 0.18 0.70 -0.60 -1.91 0.00 0.00 174.94 173.79 2jgi s ARG 21 N -1.98 3.75 0.05 3.50 3.52 -1.26 -0.78 118.95 125.74 2jgi s ARG 21 Ca 0.19 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 2jgi s ARG 21 Cb -0.11 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 2jgi s ARG 21 CO 0.11 -0.75 0.17 -0.51 -0.81 0.00 0.00 175.30 173.51 2jgi s LEU 22 N 2.85 4.23 -0.04 -0.88 1.43 -0.23 -4.95 118.68 121.08 2jgi s LEU 22 Ca 0.27 0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 53.51 2jgi s LEU 22 Cb -0.14 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 2jgi s LEU 22 CO 0.15 0.19 0.25 -1.59 0.23 0.00 0.00 176.35 175.58 2jgi s LYS 23 N -2.36 3.61 0.09 1.70 -2.85 -1.26 -0.04 119.74 118.62 2jgi s LYS 23 Ca 0.32 0.02 0.09 0.00 -1.00 0.00 0.00 55.97 55.40 2jgi s LYS 23 Cb -0.13 -3.15 -0.03 0.00 -2.06 0.00 0.00 37.83 32.46 2jgi s LYS 23 CO 0.25 0.71 -0.24 0.00 0.10 0.00 0.00 175.35 176.16 2jgi s ALA 24 N -1.15 2.07 0.00 0.59 0.00 0.16 -4.90 121.76 118.54 2jgi s ALA 24 Ca 0.22 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2jgi s ALA 24 Cb -0.14 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2jgi s ALA 24 CO 0.11 0.46 0.00 -2.30 0.00 0.00 0.00 175.76 174.03 2jgi n PRO 25 N 1.35 0.00 -0.96 0.00 -0.02 -1.26 0.03 135.00 134.14 2jgi n PRO 25 Ca -0.18 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.26 2jgi n PRO 25 Cb 0.53 0.00 0.30 0.00 -0.02 0.00 0.00 33.50 34.31 2jgi n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgi n GLY 26 N -0.95 3.74 0.00 -1.23 0.00 -1.26 -5.03 105.19 100.46 2jgi n GLY 26 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.20 -0.59 3.89 -0.02 0.00 0.10 -5.02 105.19 103.36 2jgi n GLY 27 Ca 0.38 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.44 3.65 0.15 1.61 0.04 -1.26 0.41 135.00 138.15 2jgi s PRO 28 Ca 0.00 -0.03 0.10 0.00 0.04 0.00 0.00 61.00 61.11 2jgi s PRO 28 Cb 0.00 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 2jgi s PRO 28 CO 0.00 0.46 -0.22 0.14 0.04 0.00 0.00 177.00 177.42 2jgi s VAL 29 N -1.65 2.02 -0.23 -0.36 -7.23 0.94 -3.23 120.40 110.65 2jgi s VAL 29 Ca 0.41 -1.82 -0.20 0.00 -1.81 0.00 0.00 61.98 58.56 2jgi s VAL 29 Cb -0.12 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 2jgi s VAL 29 CO 0.24 -0.11 0.62 -0.44 -0.31 0.00 0.00 175.10 175.09 2jgi s SER 30 N -2.35 6.61 0.09 4.85 0.01 0.54 -1.07 113.70 122.38 2jgi s SER 30 Ca 0.14 0.74 0.03 0.00 1.31 0.00 0.00 55.95 58.18 2jgi s SER 30 Cb -0.08 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2jgi s SER 30 CO 0.07 -0.33 0.08 0.00 0.41 0.00 0.00 173.24 173.46 2jgi s ALA 31 N 2.27 3.54 -0.42 1.44 0.00 0.04 -0.76 121.76 127.86 2jgi s ALA 31 Ca 0.27 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.24 2jgi s ALA 31 Cb -0.16 -1.40 0.19 0.00 0.00 0.00 0.00 23.12 21.76 2jgi s ALA 31 CO 0.09 0.72 0.41 1.19 0.00 0.00 0.00 175.76 178.17 2jgi n PHE 32 N 0.40 -0.52 -3.14 0.00 3.01 0.47 -1.85 117.46 115.84 2jgi n PHE 32 Ca -0.09 -3.43 -0.38 0.00 1.01 0.00 0.00 57.45 54.55 2jgi n PHE 32 Cb 0.52 0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 39.97 2jgi n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2jgi s LEU 33 N -0.40 4.52 -0.62 4.37 1.43 -0.49 -2.46 118.68 125.03 2jgi s LEU 33 Ca 0.33 1.43 -0.03 0.00 -1.03 0.00 0.00 54.13 54.84 2jgi s LEU 33 Cb 0.08 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 43.13 2jgi s LEU 33 CO -0.17 0.21 0.53 0.61 0.23 0.00 0.00 176.35 177.76 2jgi n GLY 34 N 1.48 0.18 3.67 -3.19 0.00 -1.04 -3.75 105.19 102.54 2jgi n GLY 34 Ca -0.07 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.16 4.67 0.05 -0.61 1.01 0.76 -4.80 121.20 119.12 2jgi s ILE 35 Ca 0.18 1.98 -0.31 0.00 0.00 0.00 0.00 60.65 62.51 2jgi s ILE 35 Cb -0.08 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 2jgi s ILE 35 CO 0.35 -0.10 1.54 -2.16 0.00 0.00 0.00 174.94 174.56 2jgi s PRO 36 N 2.75 4.24 -0.01 2.79 0.04 -1.26 -0.86 135.00 142.69 2jgi s PRO 36 Ca 0.47 2.18 0.12 0.00 0.04 0.00 0.00 61.00 63.81 2jgi s PRO 36 Cb -0.17 -3.54 -0.15 0.00 0.04 0.00 0.00 34.50 30.68 2jgi s PRO 36 CO 0.12 -0.65 0.42 1.97 0.04 0.00 0.00 177.00 178.90 2jgi n PHE 37 N 5.29 0.00 -3.87 0.56 1.16 -0.95 -4.87 117.46 114.78 2jgi n PHE 37 Ca 0.14 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.63 2jgi n PHE 37 Cb 0.42 -0.11 -0.08 0.00 -1.61 0.00 0.00 39.48 38.10 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 -2.40 -0.24 0.25 1.98 0.00 -1.24 -3.26 121.76 116.84 2jgi s ALA 38 Ca 0.01 -0.46 -0.31 0.00 0.00 0.00 0.00 51.96 51.21 2jgi s ALA 38 Cb 0.09 0.33 -0.11 0.00 0.00 0.00 0.00 23.12 23.42 2jgi s ALA 38 CO 0.50 -0.39 1.63 -1.21 0.00 0.00 0.00 175.76 176.29 2jgi s GLU 39 N -2.97 4.14 -0.17 0.00 0.41 -0.58 -4.62 118.70 114.91 2jgi s GLU 39 Ca -0.02 2.56 -0.39 0.00 -0.41 0.00 0.00 54.97 56.71 2jgi s GLU 39 Cb 0.01 -3.06 -0.16 0.00 -1.78 0.00 0.00 34.13 29.14 2jgi s GLU 39 CO -0.06 -0.67 1.62 -2.30 -0.49 0.00 0.00 175.26 173.37 2jgi n PRO 40 N 3.03 1.16 -1.26 0.39 -0.02 -1.26 -4.66 135.00 132.38 2jgi n PRO 40 Ca 0.12 0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 61.66 2jgi n PRO 40 Cb 0.37 -2.09 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 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 4.52 3.47 -4.45 0.52 -0.04 -1.26 -4.87 135.00 132.90 2jgi n PRO 41 Ca 0.24 -2.04 -0.25 0.00 -0.04 0.00 0.00 63.50 61.41 2jgi n PRO 41 Cb 0.15 -2.70 -0.11 0.00 -0.04 0.00 0.00 33.50 30.80 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 2.07 2.45 0.00 0.52 -7.23 -1.26 -3.50 120.40 113.44 2jgi s VAL 42 Ca 0.69 -2.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2jgi s VAL 42 Cb 0.19 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.89 2jgi s VAL 42 CO -0.05 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 2jgi n GLY 43 N -0.30 2.19 0.02 2.32 0.00 -1.26 -2.22 105.19 105.93 2jgi n GLY 43 Ca -0.08 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 9.94 0.06 0.00 1.61 3.41 -1.26 -3.05 113.62 124.33 2jgi n SER 44 Ca 0.00 -0.57 0.11 0.00 -0.26 0.00 0.00 58.87 58.15 2jgi n SER 44 Cb 0.00 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.11 0.01 -1.64 4.33 5.12 -0.94 -4.86 116.66 117.56 2jgi n ARG 45 Ca 0.19 -0.00 -0.48 0.00 -1.93 0.00 0.00 57.85 55.62 2jgi n ARG 45 Cb 0.19 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 29.94 2jgi n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2jgi n ARG 46 N -1.51 1.78 -0.20 5.56 0.63 -1.17 -0.63 116.66 121.12 2jgi n ARG 46 Ca 0.04 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 2jgi n ARG 46 Cb 0.34 -2.37 0.00 0.00 0.45 0.00 0.00 32.46 30.88 2jgi n ARG 46 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2jgi n PHE 47 N 3.23 0.00 -3.67 -0.14 3.72 -1.25 -4.95 117.46 114.40 2jgi n PHE 47 Ca 0.18 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.32 2jgi n PHE 47 Cb 0.25 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 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 -0.12 3.50 0.31 -1.08 -1.94 0.20 -4.31 119.30 115.86 2jgi s MET 48 Ca 0.00 -0.40 -0.26 0.00 -1.71 0.00 0.00 55.69 53.32 2jgi s MET 48 Cb 0.00 -2.81 -0.14 0.00 2.01 0.00 0.00 34.83 33.89 2jgi s MET 48 CO 0.00 0.35 0.76 -2.30 -0.01 0.00 0.00 175.02 173.82 2jgi n PRO 49 N -0.99 0.80 -2.23 2.03 -0.02 -1.26 -4.92 135.00 128.41 2jgi n PRO 49 Ca -0.05 0.28 -0.37 0.00 -2.02 0.00 0.00 63.50 61.34 2jgi n PRO 49 Cb 0.55 -1.55 -0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.44 3.67 0.02 0.52 0.04 -1.26 -5.06 135.00 131.49 2jgi s PRO 50 Ca 0.61 1.78 0.05 0.00 0.04 0.00 0.00 61.00 63.48 2jgi s PRO 50 Cb -0.73 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 2jgi s PRO 50 CO 0.58 -0.63 -0.13 -1.21 0.04 0.00 0.00 177.00 175.66 2jgi s GLU 51 N -2.79 2.31 0.27 4.56 2.02 -1.26 -5.01 118.70 118.80 2jgi s GLU 51 Ca 0.65 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 54.49 2jgi s GLU 51 Cb -0.29 -2.34 -0.14 0.00 0.10 0.00 0.00 34.13 31.47 2jgi s GLU 51 CO 0.34 0.57 1.24 -2.30 0.02 0.00 0.00 175.26 175.13 2jgi n PRO 52 N 1.60 1.75 -1.90 0.39 -0.02 -1.26 -1.53 135.00 134.03 2jgi n PRO 52 Ca -0.16 0.62 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 2jgi n PRO 52 Cb 0.52 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 2jgi n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jgi s LYS 53 N -1.10 4.19 0.48 -0.52 2.47 -1.20 -4.28 119.74 119.77 2jgi s LYS 53 Ca 0.63 2.45 -0.21 0.00 -1.56 0.00 0.00 55.97 57.28 2jgi s LYS 53 Cb -0.67 -3.03 -0.08 0.00 -1.46 0.00 0.00 37.83 32.59 2jgi s LYS 53 CO 0.56 -0.47 1.09 1.03 0.16 0.00 0.00 175.35 177.72 2jgi s ARG 54 N -1.26 3.75 0.88 4.03 0.52 -1.26 -4.92 118.95 120.69 2jgi s ARG 54 Ca 0.56 1.53 -0.12 0.00 -0.52 0.00 0.00 55.73 57.18 2jgi s ARG 54 Cb -0.45 -2.22 0.08 0.00 0.52 0.00 0.00 34.95 32.88 2jgi s ARG 54 CO 0.53 -0.50 0.87 -2.30 0.02 0.00 0.00 175.30 173.92 2jgi n PRO 55 N -0.78 -0.16 -4.34 3.54 -0.02 -1.26 -4.98 135.00 127.00 2jgi n PRO 55 Ca 0.09 0.02 -0.19 0.00 -2.02 0.00 0.00 63.50 61.39 2jgi n PRO 55 Cb 0.51 -2.17 -0.14 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.35 1.01 0.61 6.00 -2.14 0.66 -5.04 118.94 117.69 2jgi s TRP 56 Ca 0.65 -0.29 -0.15 0.00 2.66 0.00 0.00 56.10 58.98 2jgi s TRP 56 Cb -0.25 -0.62 -0.03 0.00 -3.10 0.00 0.00 33.47 29.47 2jgi s TRP 56 CO 0.59 -0.00 1.06 -1.54 -2.66 0.00 0.00 176.95 174.40 2jgi s SER 57 N -0.78 5.71 0.42 -2.66 1.04 -1.26 -4.57 113.70 111.60 2jgi s SER 57 Ca 0.01 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.22 2jgi s SER 57 Cb -0.06 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2jgi s SER 57 CO 0.00 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.62 2jgi n GLY 58 N -1.15 -0.15 3.20 7.32 0.00 -1.26 -4.57 105.19 108.58 2jgi n GLY 58 Ca 0.09 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 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 3.57 -0.03 1.61 1.01 -1.26 -3.82 120.40 121.48 2jgi s VAL 59 Ca 0.00 -1.53 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 2jgi s VAL 59 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2jgi s VAL 59 CO 0.00 -0.40 1.30 -0.22 0.00 0.00 0.00 175.10 175.78 2jgi s LEU 60 N 1.30 4.30 -0.03 3.92 2.96 -0.43 -4.84 118.68 125.86 2jgi s LEU 60 Ca 0.02 1.97 -0.30 0.00 -0.22 0.00 0.00 54.13 55.59 2jgi s LEU 60 Cb -0.21 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 2jgi s LEU 60 CO -0.00 -0.65 1.38 -0.62 -1.32 0.00 0.00 176.35 175.14 2jgi s ASP 61 N 1.68 6.87 -0.43 3.68 -1.08 -1.26 -2.05 116.67 124.08 2jgi s ASP 61 Ca 0.60 2.04 0.10 0.00 -0.52 0.00 0.00 52.55 54.77 2jgi s ASP 61 Cb -0.28 -2.56 0.35 0.00 -1.46 0.00 0.00 42.92 38.98 2jgi s ASP 61 CO 0.24 -0.73 0.80 0.00 0.52 0.00 0.00 175.17 176.01 2jgi n ALA 62 N 5.65 2.82 0.12 3.66 0.00 -0.34 -4.81 120.51 127.61 2jgi n ALA 62 Ca 0.13 -3.75 0.01 0.00 0.00 0.00 0.00 53.44 49.83 2jgi n ALA 62 Cb 0.44 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 0.11 0.00 -4.11 0.00 -2.24 -1.25 -1.40 114.28 105.41 2jgi n THR 63 Ca 0.26 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.49 2jgi n THR 63 Cb 0.59 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.73 2jgi n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jgi s THR 64 N -1.07 0.47 0.36 4.28 -1.32 -1.26 -4.76 115.64 112.35 2jgi s THR 64 Ca 0.01 -1.61 -0.27 0.00 -1.21 0.00 0.00 61.69 58.61 2jgi s THR 64 Cb 0.02 -1.26 -0.09 0.00 -1.51 0.00 0.00 72.50 69.66 2jgi s THR 64 CO 0.10 -0.76 1.23 -0.36 -2.21 0.00 0.00 174.62 172.61 2jgi s PHE 65 N -2.99 3.09 0.77 9.09 0.08 -1.26 -3.62 117.98 123.15 2jgi s PHE 65 Ca 0.03 1.51 -0.04 0.00 0.12 0.00 0.00 56.93 58.55 2jgi s PHE 65 Cb 0.01 -3.52 0.14 0.00 -0.57 0.00 0.00 43.02 39.08 2jgi s PHE 65 CO -0.05 -1.52 1.06 -0.65 -0.10 0.00 0.00 175.22 173.97 2jgi s GLN 66 N -1.99 1.47 0.79 0.44 -1.52 -1.26 -4.93 119.66 112.66 2jgi s GLN 66 Ca 0.52 -0.98 -0.14 0.00 -1.95 0.00 0.00 55.36 52.82 2jgi s GLN 66 Cb -0.35 -2.23 0.07 0.00 -0.22 0.00 0.00 33.01 30.28 2jgi s GLN 66 CO 0.46 -1.65 1.21 0.09 -0.25 0.00 0.00 175.29 175.15 2jgi n ASN 67 N -3.02 1.13 -4.76 5.90 3.02 -1.26 -4.85 115.26 111.42 2jgi n ASN 67 Ca 0.15 0.61 -0.39 0.00 -0.03 0.00 0.00 54.58 54.92 2jgi n ASN 67 Cb 0.60 -1.51 -0.05 0.00 -0.61 0.00 0.00 39.78 38.21 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 -2.04 4.81 0.61 2.41 1.01 0.32 -4.66 120.40 122.85 2jgi s VAL 68 Ca 0.74 1.40 -0.18 0.00 0.00 0.00 0.00 61.98 63.95 2jgi s VAL 68 Cb -0.30 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 2jgi s VAL 68 CO 0.50 0.41 0.73 0.00 0.00 0.00 0.00 175.10 176.74 2jgi s TYR 70 N -1.66 3.17 0.14 0.00 5.04 -1.15 -4.63 117.35 118.26 2jgi s TYR 70 Ca 0.72 1.10 -0.19 0.00 -2.44 0.00 0.00 57.07 56.26 2jgi s TYR 70 Cb -0.41 -3.51 0.05 0.00 0.35 0.00 0.00 41.96 38.43 2jgi s TYR 70 CO 0.51 -1.73 0.49 1.14 -1.34 0.00 0.00 175.55 174.62 2jgi s GLN 71 N 1.82 1.17 0.26 4.97 -2.07 -1.26 -4.65 119.66 119.90 2jgi s GLN 71 Ca 0.60 -0.62 -0.30 0.00 -1.82 0.00 0.00 55.36 53.21 2jgi s GLN 71 Cb -0.29 0.52 -0.10 0.00 -1.09 0.00 0.00 33.01 32.04 2jgi s GLN 71 CO 0.26 -0.48 1.49 -0.47 -1.32 0.00 0.00 175.29 174.77 2jgi s TYR 72 N -3.79 2.93 -0.17 9.60 6.14 -1.25 -5.02 117.35 125.80 2jgi s TYR 72 Ca 0.03 0.95 -0.08 0.00 0.64 0.00 0.00 57.07 58.60 2jgi s TYR 72 Cb 0.01 -3.90 -0.04 0.00 0.42 0.00 0.00 41.96 38.44 2jgi s TYR 72 CO -0.12 -2.96 0.11 0.08 0.64 0.00 0.00 175.55 173.30 2jgi s VAL 73 N -0.00 5.24 -0.01 3.14 1.01 -1.26 -4.86 120.40 123.66 2jgi s VAL 73 Ca 0.61 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 2jgi s VAL 73 Cb -0.44 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2jgi s VAL 73 CO 0.45 0.49 1.14 -0.62 0.00 0.00 0.00 175.10 176.56 2jgi s ASP 74 N -0.01 7.14 -0.10 3.32 -1.08 -1.26 -4.93 116.67 119.76 2jgi s ASP 74 Ca 0.09 1.83 0.14 0.00 -0.52 0.00 0.00 52.55 54.09 2jgi s ASP 74 Cb -0.12 -2.57 0.29 0.00 -1.46 0.00 0.00 42.92 39.07 2jgi s ASP 74 CO -0.00 -0.47 1.14 0.35 0.52 0.00 0.00 175.17 176.71 2jgi n THR 75 N 4.23 1.15 -0.12 1.71 -2.24 -1.26 -4.76 114.28 112.98 2jgi n THR 75 Ca 0.09 -1.77 -0.10 0.00 -2.27 0.00 0.00 64.05 60.00 2jgi n THR 75 Cb 0.47 0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.50 0.54 -6.35 3.22 5.85 -2.02 -3.37 115.31 113.67 2jgi h LEU 76 Ca -0.05 -0.20 -0.59 0.00 0.84 0.00 0.00 57.88 57.88 2jgi h LEU 76 Cb 1.29 -0.14 -0.40 0.00 0.37 0.00 0.00 40.66 41.77 2jgi h LEU 76 CO 0.02 0.60 -0.81 -1.22 -0.34 0.00 0.00 178.44 176.69 2jgi n TYR 77 N -4.63 1.51 -1.66 1.25 4.01 -1.26 -5.10 117.16 111.28 2jgi n TYR 77 Ca -0.01 -3.85 -0.47 0.00 -0.16 0.00 0.00 57.90 53.41 2jgi n TYR 77 Cb 0.17 -0.35 -0.05 0.00 -0.31 0.00 0.00 39.34 38.81 2jgi n TYR 77 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2jgi n PRO 78 N 1.62 1.98 0.00 -0.72 -0.02 -1.26 -1.25 135.00 135.36 2jgi n PRO 78 Ca 0.25 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2jgi n PRO 78 Cb 0.45 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.42 2.75 3.67 -1.23 0.00 -1.26 -5.00 105.19 107.54 2jgi n GLY 79 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.17 2.68 0.38 1.61 5.36 -0.38 -4.94 117.98 120.53 2jgi s PHE 80 Ca 0.00 0.78 0.09 0.00 -0.96 0.00 0.00 56.93 56.84 2jgi s PHE 80 Cb 0.00 -3.64 0.83 0.00 -0.34 0.00 0.00 43.02 39.88 2jgi s PHE 80 CO 0.00 -2.39 1.95 1.49 -1.46 0.00 0.00 175.22 174.81 2jgi h GLU 81 N 8.33 0.63 -0.42 10.12 4.57 -1.95 -0.53 114.58 135.33 2jgi h GLU 81 Ca -0.34 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 57.82 2jgi h GLU 81 Cb 1.15 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 2jgi h GLU 81 CO 0.94 0.42 0.28 0.78 -1.18 0.00 0.00 179.01 180.24 2jgi h GLY 82 N 0.65 0.56 0.00 1.92 0.00 -1.92 -2.98 103.07 101.31 2jgi h GLY 82 Ca 0.33 -0.21 -0.41 0.00 0.00 0.00 0.00 47.33 47.04 2jgi h GLY 82 CO -0.12 0.19 -2.47 -1.30 0.00 0.00 0.00 176.54 172.84 2jgi n THR 83 N -4.48 1.47 -0.27 4.70 -2.24 -0.97 -4.53 114.28 107.97 2jgi n THR 83 Ca 0.04 -0.48 0.23 0.00 -2.27 0.00 0.00 64.05 61.56 2jgi n THR 83 Cb 0.09 -1.60 0.56 0.00 -2.10 0.00 0.00 70.33 67.28 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 -0.41 0.30 0.00 -0.78 4.39 -1.16 -0.46 114.58 116.47 2jgi h GLU 84 Ca -0.62 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.06 2jgi h GLU 84 Cb 1.76 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 2jgi h GLU 84 CO -0.23 0.20 0.00 0.00 -1.16 0.00 0.00 179.01 177.82 2jgi h MET 85 N 0.31 0.00 0.00 2.33 -0.00 -1.76 0.54 114.93 116.36 2jgi h MET 85 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.21 2jgi h MET 85 Cb 1.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.04 2jgi h MET 85 CO -0.18 0.00 -1.28 0.91 -0.00 0.00 0.00 176.91 176.37 2jgi n TRP 86 N -2.35 0.00 -2.08 -0.10 7.02 -0.19 -4.71 117.44 115.03 2jgi n TRP 86 Ca -0.01 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.13 2jgi n TRP 86 Cb 0.08 -0.19 0.02 0.00 -2.42 0.00 0.00 31.31 28.79 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 -3.27 5.54 0.03 -0.99 0.01 0.18 -4.59 114.94 111.85 2jgi s ASN 87 Ca 0.00 2.08 -0.34 0.00 -0.71 0.00 0.00 52.86 53.89 2jgi s ASN 87 Cb 0.12 -2.57 -0.13 0.00 0.41 0.00 0.00 41.25 39.08 2jgi s ASN 87 CO 0.71 -1.34 1.73 -2.65 -1.51 0.00 0.00 177.10 174.04 2jgi n PRO 88 N -1.72 2.15 -0.10 -0.60 -0.02 -1.26 -4.86 135.00 128.59 2jgi n PRO 88 Ca 0.11 0.78 0.09 0.00 -2.02 0.00 0.00 63.50 62.46 2jgi n PRO 88 Cb 0.51 -2.59 0.14 0.00 -0.02 0.00 0.00 33.50 31.54 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 5.04 2.86 -4.41 2.55 6.94 -1.26 -4.94 115.26 122.03 2jgi n ASN 89 Ca 0.20 -1.84 -0.23 0.00 -0.02 0.00 0.00 54.58 52.69 2jgi n ASN 89 Cb 0.29 -0.13 -0.10 0.00 -2.36 0.00 0.00 39.78 37.47 2jgi n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2jgi s ARG 90 N -1.32 1.73 0.32 -3.83 1.81 -1.26 -5.09 118.95 111.31 2jgi s ARG 90 Ca 0.27 -1.98 -0.28 0.00 -1.72 0.00 0.00 55.73 52.02 2jgi s ARG 90 Cb 0.17 -0.87 -0.13 0.00 -0.45 0.00 0.00 34.95 33.66 2jgi s ARG 90 CO 0.24 -0.24 1.15 0.39 -0.68 0.00 0.00 175.30 176.15 2jgi n GLU 91 N -0.76 1.73 -2.76 3.54 -0.58 -1.26 -4.50 120.64 116.06 2jgi n GLU 91 Ca -0.04 0.61 -0.41 0.00 -0.42 0.00 0.00 57.16 56.90 2jgi n GLU 91 Cb 0.66 -2.09 -0.05 0.00 -0.57 0.00 0.00 31.44 29.40 2jgi n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jgi s LEU 92 N -0.32 4.52 -0.19 -4.62 1.43 -1.26 -0.52 118.68 117.71 2jgi s LEU 92 Ca 0.57 1.79 -0.25 0.00 -1.03 0.00 0.00 54.13 55.21 2jgi s LEU 92 Cb -0.63 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.10 2jgi s LEU 92 CO 0.61 -0.02 0.66 -0.55 0.23 0.00 0.00 176.35 177.28 2jgi s SER 93 N -0.21 -0.67 0.52 2.29 0.15 -0.04 -4.88 113.70 110.87 2jgi s SER 93 Ca 0.45 1.14 0.29 0.00 0.70 0.00 0.00 55.95 58.53 2jgi s SER 93 Cb -0.23 1.12 1.40 0.00 -1.71 0.00 0.00 66.02 66.60 2jgi s SER 93 CO 0.30 -0.33 2.03 -0.33 1.20 0.00 0.00 173.24 176.11 2jgi h GLU 94 N 4.54 0.00 -5.26 5.44 5.08 -1.93 -3.06 114.58 119.39 2jgi h GLU 94 Ca -0.28 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.43 2jgi h GLU 94 Cb 1.16 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.25 2jgi h GLU 94 CO 0.17 0.12 0.41 0.34 -1.00 0.00 0.00 179.01 179.05 2jgi s ASP 95 N -6.03 6.19 0.00 1.42 2.15 -1.26 -4.38 116.67 114.76 2jgi s ASP 95 Ca -0.02 -1.05 0.00 0.00 0.43 0.00 0.00 52.55 51.92 2jgi s ASP 95 Cb 0.12 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 2jgi s ASP 95 CO 0.58 -1.32 0.27 0.00 -0.17 0.00 0.00 175.17 174.53 2jgi n LEU 97 N 0.00 5.11 -4.04 0.00 4.77 -1.26 -4.55 117.00 117.03 2jgi n LEU 97 Ca 0.00 -4.24 -0.16 0.00 -0.03 0.00 0.00 56.01 51.58 2jgi n LEU 97 Cb 0.50 -1.67 -0.13 0.00 -2.33 0.00 0.00 43.42 39.79 2jgi n LEU 97 CO 0.00 0.49 -0.42 -0.31 -1.33 0.00 0.00 177.39 175.82 2jgi s TYR 98 N 2.66 0.74 0.33 -1.77 2.02 -1.26 -2.24 117.35 117.84 2jgi s TYR 98 Ca 0.47 -0.30 0.09 0.00 -0.37 0.00 0.00 57.07 56.96 2jgi s TYR 98 Cb 0.00 -0.45 -0.05 0.00 -0.40 0.00 0.00 41.96 41.06 2jgi s TYR 98 CO 0.03 -0.03 0.05 -0.48 -1.57 0.00 0.00 175.55 173.56 2jgi s LEU 99 N -0.88 3.08 0.04 -1.29 0.05 -0.04 -1.29 118.68 118.34 2jgi s LEU 99 Ca -0.02 -0.90 0.06 0.00 0.05 0.00 0.00 54.13 53.32 2jgi s LEU 99 Cb -0.06 -1.50 -0.02 0.00 -2.05 0.00 0.00 46.19 42.56 2jgi s LEU 99 CO 0.00 -0.23 -0.17 0.20 -0.55 0.00 0.00 176.35 175.60 2jgi s ASN 100 N -3.75 2.01 -0.10 1.48 0.01 0.11 -0.17 114.94 114.53 2jgi s ASN 100 Ca 0.35 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 52.06 2jgi s ASN 100 Cb -0.01 -0.16 0.02 0.00 0.41 0.00 0.00 41.25 41.51 2jgi s ASN 100 CO 0.20 0.10 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.07 2jgi s VAL 101 N -0.77 1.37 -0.17 1.60 1.01 -1.03 -1.55 120.40 120.86 2jgi s VAL 101 Ca 0.04 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 2jgi s VAL 101 Cb -0.08 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2jgi s VAL 101 CO 0.01 0.42 0.02 0.26 0.00 0.00 0.00 175.10 175.81 2jgi s TRP 102 N 1.02 3.17 0.15 5.22 0.51 0.66 -0.39 118.94 129.27 2jgi s TRP 102 Ca -0.07 -0.04 0.06 0.00 -2.12 0.00 0.00 56.10 53.93 2jgi s TRP 102 Cb -0.15 -2.02 -0.04 0.00 -0.81 0.00 0.00 33.47 30.45 2jgi s TRP 102 CO -0.01 0.11 -0.13 0.95 -0.51 0.00 0.00 176.95 177.36 2jgi s THR 103 N 0.28 1.40 0.43 2.01 -4.23 0.06 -1.14 115.64 114.46 2jgi s THR 103 Ca 0.01 -1.94 -0.23 0.00 -1.18 0.00 0.00 61.69 58.35 2jgi s THR 103 Cb -0.13 -1.75 -0.11 0.00 1.34 0.00 0.00 72.50 71.85 2jgi s THR 103 CO 0.01 -0.55 0.84 -2.65 -0.54 0.00 0.00 174.62 171.73 2jgi n PRO 104 N 0.10 1.03 -4.02 3.99 -0.02 -1.26 -0.34 135.00 134.48 2jgi n PRO 104 Ca -0.12 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.40 2jgi n PRO 104 Cb 0.59 -1.86 -0.15 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.36 3.18 0.69 6.00 5.04 -1.20 -2.11 117.35 127.59 2jgi s TYR 105 Ca 0.64 -2.00 -0.12 0.00 -2.44 0.00 0.00 57.07 53.15 2jgi s TYR 105 Cb -0.56 -1.99 0.01 0.00 0.35 0.00 0.00 41.96 39.76 2jgi s TYR 105 CO 0.56 -0.83 1.07 -1.25 -1.34 0.00 0.00 175.55 173.76 2jgi s PRO 106 N 1.20 2.87 0.25 4.97 0.04 -1.26 -4.68 135.00 138.39 2jgi s PRO 106 Ca -0.05 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.73 2jgi s PRO 106 Cb -0.19 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 2jgi s PRO 106 CO -0.05 -1.15 1.54 -0.98 0.04 0.00 0.00 177.00 176.40 2jgi s ARG 107 N -4.83 4.19 -0.11 4.56 1.70 -0.90 -4.82 118.95 118.74 2jgi s ARG 107 Ca 0.60 2.44 -0.15 0.00 -0.47 0.00 0.00 55.73 58.14 2jgi s ARG 107 Cb -0.15 -3.08 -0.07 0.00 -0.57 0.00 0.00 34.95 31.08 2jgi s ARG 107 CO 0.52 -0.56 0.49 -2.30 -1.08 0.00 0.00 175.30 172.37 2jgi n PRO 108 N 2.70 0.00 -0.16 3.89 -0.01 -1.26 -4.87 135.00 135.29 2jgi n PRO 108 Ca 0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 63.50 63.56 2jgi n PRO 108 Cb 0.38 -0.52 0.19 0.00 -0.01 0.00 0.00 33.50 33.55 2jgi n PRO 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2jgi h ALA 109 N 1.49 1.24 -2.23 3.55 0.00 -1.94 -3.45 119.26 117.92 2jgi h ALA 109 Ca -0.16 -0.18 -0.43 0.00 0.00 0.00 0.00 54.91 54.14 2jgi h ALA 109 Cb 0.48 -0.24 -0.14 0.00 0.00 0.00 0.00 17.79 17.89 2jgi h ALA 109 CO 0.30 0.54 -0.73 -1.54 0.00 0.00 0.00 179.25 177.82 2jgi s SER 110 N -6.53 2.45 0.04 0.00 1.04 -1.26 -5.11 113.70 104.33 2jgi s SER 110 Ca -0.10 -1.02 -0.33 0.00 0.48 0.00 0.00 55.95 54.98 2jgi s SER 110 Cb 0.16 -0.12 -0.12 0.00 0.10 0.00 0.00 66.02 66.04 2jgi s SER 110 CO 0.80 -0.19 1.79 -2.65 0.98 0.00 0.00 173.24 173.97 2jgi n PRO 111 N -0.34 2.37 -4.18 4.02 -0.02 -1.26 -4.92 135.00 130.67 2jgi n PRO 111 Ca -0.08 0.86 -0.34 0.00 -2.02 0.00 0.00 63.50 61.92 2jgi n PRO 111 Cb 0.60 -2.71 -0.11 0.00 -0.02 0.00 0.00 33.50 31.27 2jgi n PRO 111 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jgi s THR 112 N 2.90 4.42 -0.20 3.45 2.01 0.11 -4.55 115.64 123.78 2jgi s THR 112 Ca 0.86 -0.17 -0.35 0.00 0.31 0.00 0.00 61.69 62.34 2jgi s THR 112 Cb -0.62 -2.96 -0.16 0.00 0.01 0.00 0.00 72.50 68.77 2jgi s THR 112 CO 0.44 0.49 1.06 -2.65 -0.69 0.00 0.00 174.62 173.27 2jgi n PRO 113 N 3.39 0.00 -3.98 4.92 -0.02 -1.26 0.43 135.00 138.48 2jgi n PRO 113 Ca -0.17 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.96 2jgi n PRO 113 Cb 0.52 -1.19 -0.11 0.00 -0.02 0.00 0.00 33.50 32.70 2jgi n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jgi s VAL 114 N 1.21 4.49 -0.12 -1.45 1.01 -0.07 -3.11 120.40 122.36 2jgi s VAL 114 Ca 0.78 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.53 2jgi s VAL 114 Cb -1.10 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2jgi s VAL 114 CO 0.55 0.42 0.20 -0.76 0.00 0.00 0.00 175.10 175.51 2jgi s LEU 115 N 0.83 4.35 -0.17 3.92 1.02 -0.56 -0.17 118.68 127.90 2jgi s LEU 115 Ca 0.03 0.51 0.01 0.00 0.02 0.00 0.00 54.13 54.69 2jgi s LEU 115 Cb -0.14 -2.20 0.01 0.00 0.02 0.00 0.00 46.19 43.88 2jgi s LEU 115 CO 0.02 0.30 -0.17 -0.63 0.02 0.00 0.00 176.35 175.89 2jgi s ILE 116 N -0.53 2.40 -0.02 -0.59 1.01 0.16 -0.47 121.20 123.16 2jgi s ILE 116 Ca 0.15 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.77 2jgi s ILE 116 Cb -0.13 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 2jgi s ILE 116 CO 0.04 0.52 0.52 0.86 0.00 0.00 0.00 174.94 176.88 2jgi s TRP 117 N 1.02 3.66 -0.22 3.97 -0.11 0.21 0.23 118.94 127.71 2jgi s TRP 117 Ca -0.02 1.08 0.01 0.00 1.22 0.00 0.00 56.10 58.39 2jgi s TRP 117 Cb -0.15 -2.50 0.03 0.00 -1.50 0.00 0.00 33.47 29.35 2jgi s TRP 117 CO -0.05 0.40 -0.15 0.42 -4.62 0.00 0.00 176.95 172.96 2jgi s ILE 118 N -0.29 2.23 0.90 5.86 1.01 -0.41 -3.67 121.20 126.82 2jgi s ILE 118 Ca 0.28 -1.19 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 2jgi s ILE 118 Cb -0.17 -2.10 0.13 0.00 0.01 0.00 0.00 42.46 40.33 2jgi s ILE 118 CO 0.15 0.29 1.09 -0.72 0.00 0.00 0.00 174.94 175.75 2jgi s TYR 119 N 1.23 2.36 0.00 3.97 -0.85 -1.26 -3.43 117.35 119.37 2jgi s TYR 119 Ca -0.00 1.20 0.00 0.00 -0.52 0.00 0.00 57.07 57.75 2jgi s TYR 119 Cb -0.16 -3.17 0.00 0.00 0.38 0.00 0.00 41.96 39.01 2jgi s TYR 119 CO -0.09 -2.37 0.00 0.41 -1.52 0.00 0.00 175.55 171.98 2jgi n GLY 120 N -1.27 3.88 0.00 5.49 0.00 -1.23 -2.88 105.19 109.18 2jgi n GLY 120 Ca 0.07 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 1.69 3.69 -0.02 0.00 -1.26 -4.03 105.19 110.27 2jgi n GLY 121 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.34 -0.46 2.27 -0.02 0.00 -1.26 -0.95 105.19 104.41 2jgi n GLY 122 Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.95 -0.22 -0.11 1.61 3.72 -1.26 -4.74 117.46 112.51 2jgi n PHE 123 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2jgi n PHE 123 Cb 0.51 -2.83 0.00 0.00 -0.94 0.00 0.00 39.48 36.22 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 -2.03 0.00 -3.85 1.38 0.18 -0.13 0.34 117.16 113.05 2jgi n TYR 124 Ca -0.15 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.52 2jgi n TYR 124 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 2jgi n TYR 124 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2jgi n SER 125 N -0.41 -1.74 0.00 9.48 3.41 -0.80 -3.86 113.62 119.70 2jgi n SER 125 Ca 0.00 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 2jgi n SER 125 Cb 0.03 3.01 0.00 0.00 -0.26 0.00 0.00 64.21 66.99 2jgi n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jgi n GLY 126 N -0.51 2.33 3.63 5.00 0.00 -1.26 -4.36 105.19 110.02 2jgi n GLY 126 Ca -0.04 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.44 -2.01 -0.36 4.61 0.00 -1.26 -4.67 121.76 115.63 2jgi s ALA 127 Ca 0.00 1.79 0.26 0.00 0.00 0.00 0.00 51.96 54.01 2jgi s ALA 127 Cb 0.00 -1.36 0.70 0.00 0.00 0.00 0.00 23.12 22.45 2jgi s ALA 127 CO 0.00 -0.23 1.73 0.00 0.00 0.00 0.00 175.76 177.26 2jgi h ALA 128 N 3.62 1.00 0.00 0.00 0.00 -1.95 -3.24 119.26 118.68 2jgi h ALA 128 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2jgi h ALA 128 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jgi h ALA 128 CO 0.16 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 2jgi n SER 129 N -2.91 0.21 -4.63 0.00 3.41 -1.26 -4.73 113.62 103.70 2jgi n SER 129 Ca 0.03 0.52 -0.37 0.00 -0.26 0.00 0.00 58.87 58.79 2jgi n SER 129 Cb 0.44 -0.58 0.06 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.70 4.14 -0.10 1.04 4.77 -1.23 -4.90 117.00 119.03 2jgi n LEU 130 Ca 0.06 0.80 -0.06 0.00 -0.03 0.00 0.00 56.01 56.78 2jgi n LEU 130 Cb 0.35 -1.42 0.12 0.00 -2.33 0.00 0.00 43.42 40.14 2jgi n LEU 130 CO 0.27 -1.74 0.78 0.44 -1.33 0.00 0.00 177.39 175.80 2jgi h ASP 131 N 0.43 0.78 0.36 -1.43 3.32 -1.89 -2.54 116.42 115.45 2jgi h ASP 131 Ca -0.49 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.32 2jgi h ASP 131 Cb 1.36 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2jgi h ASP 131 CO 0.51 0.92 0.00 1.33 -1.72 0.00 0.00 179.24 180.28 2jgi n VAL 132 N -4.15 1.18 -1.44 -1.35 0.24 -1.26 -1.60 118.33 109.94 2jgi n VAL 132 Ca 0.01 0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 62.58 2jgi n VAL 132 Cb 0.38 -1.30 0.17 0.00 -1.47 0.00 0.00 33.84 31.62 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 -1.86 1.84 -2.30 6.34 4.01 -0.95 -4.50 117.16 119.73 2jgi n TYR 133 Ca 0.01 -1.83 -0.43 0.00 -0.16 0.00 0.00 57.90 55.50 2jgi n TYR 133 Cb 0.12 -0.67 -0.02 0.00 -0.31 0.00 0.00 39.34 38.46 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 -2.26 6.62 -0.05 7.72 -1.08 -0.63 -4.89 116.67 122.10 2jgi s ASP 134 Ca 0.50 1.46 0.07 0.00 -0.52 0.00 0.00 52.55 54.05 2jgi s ASP 134 Cb 0.43 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 39.64 2jgi s ASP 134 CO 0.02 -1.09 1.09 0.61 0.52 0.00 0.00 175.17 176.32 2jgi n GLY 135 N 4.32 1.21 0.20 2.66 0.00 -1.26 -4.26 105.19 108.05 2jgi n GLY 135 Ca 0.16 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 1.57 0.70 0.26 1.61 0.11 -1.90 -2.74 114.38 114.00 2jgi h ARG 136 Ca 0.00 -0.74 -0.01 0.00 0.10 0.00 0.00 59.98 59.33 2jgi h ARG 136 Cb 0.73 0.20 0.00 0.00 1.11 0.00 0.00 29.97 32.01 2jgi h ARG 136 CO 0.10 1.31 -0.13 0.74 0.10 0.00 0.00 179.97 182.09 2jgi h PHE 137 N 0.41 -0.33 -0.02 4.08 0.04 -1.77 0.16 116.94 119.50 2jgi h PHE 137 Ca -0.12 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.65 2jgi h PHE 137 Cb 1.66 0.11 -0.00 0.00 2.20 0.00 0.00 35.95 39.92 2jgi h PHE 137 CO 0.10 -0.04 0.02 -0.07 -0.60 0.00 0.00 178.31 177.72 2jgi h LEU 138 N -0.60 0.00 0.08 1.54 3.38 -1.68 0.19 115.31 118.22 2jgi h LEU 138 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jgi h LEU 138 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2jgi h LEU 138 CO 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.55 2jgi h ALA 139 N 1.98 -0.11 -1.00 1.53 0.00 -1.14 -2.61 119.26 117.91 2jgi h ALA 139 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jgi h ALA 139 Cb 0.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jgi h ALA 139 CO -0.00 -0.30 0.00 0.94 0.00 0.00 0.00 179.25 179.89 2jgi n GLN 140 N -4.90 0.00 0.03 0.00 0.00 0.52 -1.90 117.38 111.13 2jgi n GLN 140 Ca -0.08 0.33 -0.14 0.00 -0.00 0.00 0.00 57.00 57.11 2jgi n GLN 140 Cb 0.26 -1.11 -0.08 0.00 0.00 0.00 0.00 30.24 29.32 2jgi n GLN 140 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2jgi h VAL 141 N 0.00 0.08 -0.03 1.69 2.07 -0.86 -2.77 116.25 116.44 2jgi h VAL 141 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2jgi h VAL 141 Cb 0.00 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 2jgi h VAL 141 CO 0.00 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.97 2jgi n GLU 142 N -5.45 1.71 -3.56 1.57 -0.58 -1.15 -4.94 120.64 108.24 2jgi n GLU 142 Ca -0.06 -1.04 -0.20 0.00 -0.42 0.00 0.00 57.16 55.44 2jgi n GLU 142 Cb 0.38 -1.47 0.07 0.00 -0.57 0.00 0.00 31.44 29.85 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 1.18 -0.40 3.73 0.62 0.00 -0.80 -4.99 105.19 104.54 2jgi n GLY 143 Ca 0.18 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.41 3.43 -0.40 4.61 0.00 -0.99 -4.89 121.76 120.10 2jgi s ALA 144 Ca 0.18 -1.01 -0.23 0.00 0.00 0.00 0.00 51.96 50.89 2jgi s ALA 144 Cb -0.08 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.69 2jgi s ALA 144 CO 0.75 0.71 0.78 0.08 0.00 0.00 0.00 175.76 178.08 2jgi s VAL 145 N -1.28 4.70 -0.18 0.00 1.01 -1.18 -4.21 120.40 119.26 2jgi s VAL 145 Ca 0.25 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 62.88 2jgi s VAL 145 Cb -0.12 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 2jgi s VAL 145 CO 0.17 -0.56 -0.06 -0.22 0.00 0.00 0.00 175.10 174.43 2jgi s LEU 146 N 3.18 2.97 0.01 3.92 0.20 -0.29 -1.50 118.68 127.16 2jgi s LEU 146 Ca 0.30 -0.29 0.08 0.00 0.69 0.00 0.00 54.13 54.92 2jgi s LEU 146 Cb -0.13 -1.72 -0.02 0.00 -0.43 0.00 0.00 46.19 43.89 2jgi s LEU 146 CO 0.19 0.09 -0.24 -0.69 -0.29 0.00 0.00 176.35 175.42 2jgi s VAL 147 N 0.82 1.90 -0.02 1.68 1.01 0.38 -0.25 120.40 125.93 2jgi s VAL 147 Ca -0.02 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 2jgi s VAL 147 Cb -0.15 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.64 2jgi s VAL 147 CO 0.01 0.44 0.11 -0.94 0.00 0.00 0.00 175.10 174.73 2jgi s SER 148 N -0.81 -0.03 0.15 3.32 1.04 -0.60 0.65 113.70 117.42 2jgi s SER 148 Ca 0.09 0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.61 2jgi s SER 148 Cb -0.09 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 2jgi s SER 148 CO 0.00 -0.18 -0.17 0.00 0.98 0.00 0.00 173.24 173.87 2jgi s MET 149 N -0.59 1.18 0.28 4.02 0.23 -1.24 0.09 119.30 123.27 2jgi s MET 149 Ca -0.07 -1.35 -0.13 0.00 -1.03 0.00 0.00 55.69 53.12 2jgi s MET 149 Cb -0.04 -1.17 -0.08 0.00 -1.53 0.00 0.00 34.83 32.01 2jgi s MET 149 CO 0.00 0.23 0.66 -0.80 -2.03 0.00 0.00 175.02 173.09 2jgi s ASN 150 N -2.59 6.73 0.04 -1.18 0.01 -0.41 -4.53 114.94 113.00 2jgi s ASN 150 Ca 0.13 1.14 -0.01 0.00 -0.71 0.00 0.00 52.86 53.42 2jgi s ASN 150 Cb -0.05 -2.32 -0.03 0.00 0.41 0.00 0.00 41.25 39.26 2jgi s ASN 150 CO 0.05 -0.14 -0.03 -0.72 -1.51 0.00 0.00 177.10 174.75 2jgi s TYR 151 N -1.89 0.45 0.03 2.20 1.13 -1.26 -4.52 117.35 113.49 2jgi s TYR 151 Ca 0.51 -0.91 -0.30 0.00 -1.41 0.00 0.00 57.07 54.96 2jgi s TYR 151 Cb -0.11 -0.33 -0.06 0.00 -1.10 0.00 0.00 41.96 40.35 2jgi s TYR 151 CO 0.19 -0.32 1.43 1.03 -2.51 0.00 0.00 175.55 175.37 2jgi s ARG 152 N -3.20 4.28 0.52 -3.49 0.52 -1.26 -4.82 118.95 111.50 2jgi s ARG 152 Ca 0.00 2.03 0.08 0.00 -0.52 0.00 0.00 55.73 57.33 2jgi s ARG 152 Cb 0.03 -3.52 0.05 0.00 0.52 0.00 0.00 34.95 32.03 2jgi s ARG 152 CO -0.07 -0.57 0.63 0.14 0.02 0.00 0.00 175.30 175.44 2jgi s VAL 153 N 2.20 2.30 0.00 3.52 -7.23 -1.26 -4.14 120.40 115.79 2jgi s VAL 153 Ca 0.65 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 2jgi s VAL 153 Cb -0.33 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.18 2jgi s VAL 153 CO 0.28 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 2jgi n GLY 154 N -1.99 1.44 0.28 2.32 0.00 0.15 -2.57 105.19 104.82 2jgi n GLY 154 Ca 0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 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 1.08 -0.55 2.61 1.35 -1.88 0.18 112.91 115.71 2jgi h THR 155 Ca 0.00 -0.30 0.16 0.00 -0.55 0.00 0.00 66.41 65.72 2jgi h THR 155 Cb 0.00 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 66.55 2jgi h THR 155 CO 0.00 0.16 0.40 -0.26 -0.25 0.00 0.00 175.52 175.57 2jgi h PHE 156 N 0.86 0.00 0.00 4.73 0.04 -1.87 -0.91 116.94 119.80 2jgi h PHE 156 Ca 0.29 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.04 2jgi h PHE 156 Cb 0.04 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 2jgi h PHE 156 CO -0.04 0.00 -1.34 0.41 -0.60 0.00 0.00 178.31 176.74 2jgi n GLY 157 N -1.64 -0.32 0.00 -1.45 0.00 -1.01 -3.89 105.19 96.89 2jgi n GLY 157 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2jgi n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgi n PHE 158 N -1.82 0.00 -1.88 1.61 3.72 0.02 -1.17 117.46 117.94 2jgi n PHE 158 Ca -0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 2jgi n PHE 158 Cb 0.26 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.27 4.36 0.01 4.37 0.20 -0.36 -4.44 118.68 122.55 2jgi s LEU 159 Ca 0.00 2.40 0.04 0.00 0.69 0.00 0.00 54.13 57.25 2jgi s LEU 159 Cb 0.00 -3.53 -0.01 0.00 -0.43 0.00 0.00 46.19 42.21 2jgi s LEU 159 CO 0.00 -0.97 -0.11 0.00 -0.29 0.00 0.00 176.35 174.98 2jgi s ALA 160 N 4.16 0.93 -0.59 5.97 0.00 -1.26 -4.40 121.76 126.58 2jgi s ALA 160 Ca 0.79 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.18 2jgi s ALA 160 Cb -0.37 -0.19 0.15 0.00 0.00 0.00 0.00 23.12 22.71 2jgi s ALA 160 CO 0.34 0.20 0.37 -0.51 0.00 0.00 0.00 175.76 176.15 2jgi s LEU 161 N -0.61 4.70 0.33 0.00 1.43 -0.46 -3.85 118.68 120.21 2jgi s LEU 161 Ca 0.02 -3.10 -0.27 0.00 -1.03 0.00 0.00 54.13 49.76 2jgi s LEU 161 Cb -0.06 -1.72 -0.13 0.00 0.03 0.00 0.00 46.19 44.31 2jgi s LEU 161 CO 0.00 -0.25 0.99 -2.65 0.23 0.00 0.00 176.35 174.66 2jgi n PRO 162 N 3.05 1.32 -0.01 1.29 -0.02 -1.26 -2.04 135.00 137.34 2jgi n PRO 162 Ca 0.08 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2jgi n PRO 162 Cb 0.34 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 1.24 2.39 3.91 -1.23 0.00 -1.26 -5.04 105.19 105.20 2jgi n GLY 163 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.60 4.63 -0.05 1.61 1.04 -0.87 -5.02 113.70 111.44 2jgi s SER 164 Ca 0.00 0.65 -0.15 0.00 0.48 0.00 0.00 55.95 56.93 2jgi s SER 164 Cb 0.00 -1.21 -0.31 0.00 0.10 0.00 0.00 66.02 64.60 2jgi s SER 164 CO 0.00 -1.79 0.74 0.03 0.98 0.00 0.00 173.24 173.20 2jgi h ARG 165 N -0.88 0.37 -0.09 4.02 3.08 -1.96 -3.38 114.38 115.54 2jgi h ARG 165 Ca -0.45 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 58.97 2jgi h ARG 165 Cb 1.32 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.61 2jgi h ARG 165 CO 0.64 1.30 0.00 -0.85 -1.07 0.00 0.00 179.97 179.99 2jgi n GLU 166 N -3.81 2.34 -2.82 0.04 0.00 -1.26 -4.38 120.64 110.75 2jgi n GLU 166 Ca -0.21 -1.95 -0.09 0.00 0.00 0.00 0.00 57.16 54.90 2jgi n GLU 166 Cb 0.99 -1.47 0.02 0.00 0.00 0.00 0.00 31.44 30.98 2jgi n GLU 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jgi n ALA 167 N 1.33 -1.01 0.87 -1.84 0.00 -1.26 -4.42 120.51 114.18 2jgi n ALA 167 Ca 0.15 -1.55 0.14 0.00 0.00 0.00 0.00 53.44 52.18 2jgi n ALA 167 Cb 0.59 -1.31 0.52 0.00 0.00 0.00 0.00 19.45 19.25 2jgi n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jgi n PRO 168 N 2.09 0.09 0.00 0.00 -0.04 -1.26 -1.35 135.00 134.52 2jgi n PRO 168 Ca 0.14 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2jgi n PRO 168 Cb 0.59 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2jgi n PRO 168 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jgi n GLY 169 N 1.44 -1.95 2.34 0.55 0.00 -1.26 -4.69 105.19 101.62 2jgi n GLY 169 Ca 0.06 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.10 -4.21 -0.04 1.61 3.02 -1.26 -4.92 115.26 107.37 2jgi n ASN 170 Ca 0.00 0.14 -0.03 0.00 -0.03 0.00 0.00 54.58 54.65 2jgi n ASN 170 Cb 0.00 -2.19 0.20 0.00 -0.61 0.00 0.00 39.78 37.18 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 1.24 -0.75 2.41 -1.51 -1.78 0.65 116.25 116.51 2jgi h VAL 171 Ca -0.11 -1.06 0.17 0.00 -1.23 0.00 0.00 66.70 64.47 2jgi h VAL 171 Cb 0.54 1.07 -0.12 0.00 -2.13 0.00 0.00 31.29 30.65 2jgi h VAL 171 CO 0.16 0.36 0.15 1.23 -1.23 0.00 0.00 177.57 178.24 2jgi h GLY 172 N 0.95 1.02 1.75 5.19 0.00 -1.33 0.70 103.07 111.36 2jgi h GLY 172 Ca 0.11 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 2jgi h GLY 172 CO 0.03 -0.24 -0.35 1.41 0.00 0.00 0.00 176.54 177.39 2jgi h LEU 173 N 0.23 0.29 -0.54 3.11 3.38 -1.20 -2.42 115.31 118.15 2jgi h LEU 173 Ca 0.43 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 58.16 2jgi h LEU 173 Cb 0.76 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2jgi h LEU 173 CO -0.56 0.63 -0.24 -0.07 0.09 0.00 0.00 178.44 178.29 2jgi h LEU 174 N 0.24 0.95 -0.63 1.67 3.38 0.62 -0.79 115.31 120.75 2jgi h LEU 174 Ca 0.03 -0.37 0.13 0.00 0.09 0.00 0.00 57.88 57.76 2jgi h LEU 174 Cb 0.74 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 2jgi h LEU 174 CO 0.06 1.14 0.10 0.44 0.09 0.00 0.00 178.44 180.27 2jgi h ASP 175 N 0.79 -0.07 -0.59 -0.43 3.32 0.42 0.11 116.42 119.98 2jgi h ASP 175 Ca 0.10 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 2jgi h ASP 175 Cb 0.80 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 2jgi h ASP 175 CO 0.07 -0.03 0.25 1.56 -1.72 0.00 0.00 179.24 179.36 2jgi h GLN 176 N 0.22 0.88 -0.69 3.56 4.20 -1.01 -1.82 115.11 120.45 2jgi h GLN 176 Ca 0.34 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2jgi h GLN 176 Cb 0.53 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2jgi h GLN 176 CO -0.46 0.74 0.31 -0.09 -0.67 0.00 0.00 178.83 178.66 2jgi h ARG 177 N 0.82 1.01 -0.44 1.46 2.43 -0.36 -1.87 114.38 117.41 2jgi h ARG 177 Ca 0.20 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2jgi h ARG 177 Cb 0.18 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2jgi h ARG 177 CO -0.02 0.81 0.06 1.25 -1.51 0.00 0.00 179.97 180.56 2jgi h LEU 178 N 0.97 0.64 -0.65 3.80 5.85 -0.40 0.14 115.31 125.65 2jgi h LEU 178 Ca 0.23 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2jgi h LEU 178 Cb 0.15 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2jgi h LEU 178 CO -0.03 0.67 0.35 0.00 -0.34 0.00 0.00 178.44 179.10 2jgi h ALA 179 N 1.41 0.84 -0.15 1.25 0.00 -0.96 0.14 119.26 121.78 2jgi h ALA 179 Ca 0.14 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2jgi h ALA 179 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jgi h ALA 179 CO 0.01 0.36 -0.33 -0.07 0.00 0.00 0.00 179.25 179.22 2jgi h LEU 180 N 0.89 0.29 -0.41 0.00 3.38 -0.49 -1.29 115.31 117.69 2jgi h LEU 180 Ca 0.23 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2jgi h LEU 180 Cb 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2jgi h LEU 180 CO -0.04 0.61 -0.21 1.56 0.09 0.00 0.00 178.44 180.46 2jgi h GLN 181 N 0.25 0.87 -0.60 1.13 4.20 -0.27 -2.37 115.11 118.32 2jgi h GLN 181 Ca 0.03 -0.38 0.04 0.00 0.06 0.00 0.00 58.65 58.40 2jgi h GLN 181 Cb 0.70 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.42 2jgi h GLN 181 CO 0.05 1.03 0.34 2.35 -0.67 0.00 0.00 178.83 181.93 2jgi h TRP 182 N 0.69 0.63 -0.55 2.96 7.01 -0.37 -2.45 115.95 123.87 2jgi h TRP 182 Ca 0.09 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.13 2jgi h TRP 182 Cb 0.77 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.60 2jgi h TRP 182 CO 0.06 0.33 0.35 0.28 -2.79 0.00 0.00 178.44 176.67 2jgi h VAL 183 N 0.66 1.11 -0.93 2.65 2.07 -1.05 0.17 116.25 120.93 2jgi h VAL 183 Ca 0.25 -0.24 0.12 0.00 0.82 0.00 0.00 66.70 67.64 2jgi h VAL 183 Cb 0.09 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.12 2jgi h VAL 183 CO -0.14 0.13 0.56 1.56 0.02 0.00 0.00 177.57 179.70 2jgi h GLN 184 N 0.71 0.86 0.00 1.57 1.08 -0.97 -1.78 115.11 116.58 2jgi h GLN 184 Ca 0.21 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.32 2jgi h GLN 184 Cb -0.04 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.19 2jgi h GLN 184 CO -0.06 0.57 -0.92 0.93 -0.95 0.00 0.00 178.83 178.39 2jgi h GLU 185 N 0.89 0.00 0.00 1.46 5.08 -1.03 -3.42 114.58 117.56 2jgi h GLU 185 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2jgi h GLU 185 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jgi h GLU 185 CO -0.27 0.09 -0.97 0.09 -1.00 0.00 0.00 179.01 176.94 2jgi n ASN 186 N -2.81 4.86 0.25 1.42 3.02 0.54 -4.85 115.26 117.69 2jgi n ASN 186 Ca -0.01 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.62 2jgi n ASN 186 Cb 0.62 0.71 0.63 0.00 -0.61 0.00 0.00 39.78 41.12 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 0.91 -0.55 2.41 6.09 -1.50 -1.63 117.51 123.25 2jgi h ILE 187 Ca 0.00 -0.42 0.11 0.00 -1.37 0.00 0.00 64.86 63.18 2jgi h ILE 187 Cb 0.53 1.24 -0.09 0.00 0.47 0.00 0.00 36.82 38.97 2jgi h ILE 187 CO 0.00 0.11 -0.00 0.00 -3.07 0.00 0.00 178.15 175.19 2jgi h ALA 188 N 1.88 0.52 0.00 0.18 0.00 -1.80 0.22 119.26 120.26 2jgi h ALA 188 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jgi h ALA 188 Cb 0.23 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jgi h ALA 188 CO 0.02 -0.39 0.42 0.00 0.00 0.00 0.00 179.25 179.29 2jgi h ALA 189 N 1.49 1.36 -0.00 0.00 0.00 -1.60 0.53 119.26 121.04 2jgi h ALA 189 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2jgi h ALA 189 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jgi h ALA 189 CO -0.47 -0.36 -0.64 1.19 0.00 0.00 0.00 179.25 178.98 2jgi n PHE 190 N -2.44 0.00 0.00 0.00 3.01 -0.03 -4.83 117.46 113.18 2jgi n PHE 190 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2jgi n PHE 190 Cb 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 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 1.32 0.42 3.76 1.37 0.00 0.18 -4.56 105.19 107.68 2jgi n GLY 191 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.93 2.76 -0.44 -0.02 0.00 -0.64 0.07 107.32 107.12 2jgi s GLY 192 Ca 0.00 1.03 -0.17 0.00 0.00 0.00 0.00 44.72 45.58 2jgi s GLY 192 CO 0.00 1.45 0.47 -0.35 0.00 0.00 0.00 173.10 174.67 2jgi s ASP 193 N -1.49 6.20 0.63 1.64 2.15 0.17 -3.34 116.67 122.63 2jgi s ASP 193 Ca 0.75 -0.79 0.42 0.00 0.43 0.00 0.00 52.55 53.36 2jgi s ASP 193 Cb -0.31 -2.23 2.29 0.00 -0.30 0.00 0.00 42.92 42.37 2jgi s ASP 193 CO 0.35 -0.65 2.29 1.55 -0.17 0.00 0.00 175.17 178.54 2jgi h PRO 194 N 8.78 0.00 -0.38 4.34 0.13 -1.89 -1.83 132.00 141.16 2jgi h PRO 194 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2jgi h PRO 194 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2jgi h PRO 194 CO 0.84 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.28 2jgi n MET 195 N -2.98 2.02 -3.25 0.86 2.81 -1.26 -4.07 117.12 111.24 2jgi n MET 195 Ca -0.03 -1.56 -0.25 0.00 -1.81 0.00 0.00 57.70 54.05 2jgi n MET 195 Cb 0.07 -1.38 -0.08 0.00 -0.71 0.00 0.00 33.22 31.12 2jgi n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jgi n SER 196 N 0.77 0.29 -4.60 7.83 2.88 -0.69 -4.95 113.62 115.16 2jgi n SER 196 Ca 0.16 -2.68 -0.35 0.00 -1.33 0.00 0.00 58.87 54.67 2jgi n SER 196 Cb 0.39 -0.63 -0.10 0.00 -0.75 0.00 0.00 64.21 63.12 2jgi n SER 196 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jgi s VAL 197 N -1.03 4.61 -0.14 2.46 1.01 -1.26 -0.89 120.40 125.16 2jgi s VAL 197 Ca 0.35 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.25 2jgi s VAL 197 Cb 0.14 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.46 2jgi s VAL 197 CO -0.12 0.45 -0.20 -0.89 0.00 0.00 0.00 175.10 174.34 2jgi s THR 198 N 0.48 1.94 -0.00 3.92 2.01 0.77 -0.73 115.64 124.03 2jgi s THR 198 Ca 0.02 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 60.93 2jgi s THR 198 Cb -0.13 -1.73 -0.06 0.00 0.01 0.00 0.00 72.50 70.59 2jgi s THR 198 CO 0.01 0.53 0.55 -0.76 -0.69 0.00 0.00 174.62 174.25 2jgi s LEU 199 N 0.94 4.43 0.02 4.42 1.43 -0.80 0.41 118.68 129.53 2jgi s LEU 199 Ca -0.05 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 2jgi s LEU 199 Cb -0.15 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 2jgi s LEU 199 CO -0.04 0.16 -0.04 0.72 0.23 0.00 0.00 176.35 177.39 2jgi s PHE 200 N -0.41 0.31 0.15 0.29 -0.71 0.14 -0.80 117.98 116.96 2jgi s PHE 200 Ca 0.29 -0.48 -0.24 0.00 -1.04 0.00 0.00 56.93 55.45 2jgi s PHE 200 Cb -0.18 -0.21 0.06 0.00 -1.21 0.00 0.00 43.02 41.48 2jgi s PHE 200 CO 0.16 -0.16 0.81 0.20 -1.34 0.00 0.00 175.22 174.90 2jgi s GLY 201 N -1.35 -0.32 -0.09 1.99 0.00 -1.13 -1.28 107.32 105.13 2jgi s GLY 201 Ca -0.14 0.27 0.13 0.00 0.00 0.00 0.00 44.72 44.99 2jgi s GLY 201 CO -0.01 0.08 1.13 -2.21 0.00 0.00 0.00 173.10 172.09 2jgi n GLU 202 N -0.40 0.77 0.00 2.90 0.00 -1.22 -0.86 120.64 121.82 2jgi n GLU 202 Ca -0.08 -2.20 0.00 0.00 0.00 0.00 0.00 57.16 54.88 2jgi n GLU 202 Cb 0.61 -0.99 0.00 0.00 0.00 0.00 0.00 31.44 31.06 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 -0.64 0.00 -0.10 4.31 0.00 -1.26 -2.80 120.51 120.03 2jgi n ALA 204 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 2jgi n ALA 204 Cb 0.76 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.26 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 0.89 0.75 0.00 0.00 -1.71 0.15 103.07 103.14 2jgi h GLY 205 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 2jgi h GLY 205 CO 0.00 0.73 -0.02 0.00 0.00 0.00 0.00 176.54 177.25 2jgi h ALA 206 N 0.99 0.16 -0.77 3.60 0.00 -1.61 0.04 119.26 121.68 2jgi h ALA 206 Ca 0.08 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2jgi h ALA 206 Cb 0.81 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2jgi h ALA 206 CO 0.07 -0.11 0.50 0.00 0.00 0.00 0.00 179.25 179.71 2jgi h ALA 207 N 0.71 1.65 0.84 0.00 0.00 -1.70 0.15 119.26 120.91 2jgi h ALA 207 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2jgi h ALA 207 Cb 0.42 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jgi h ALA 207 CO 0.01 0.24 -0.40 0.77 0.00 0.00 0.00 179.25 179.86 2jgi h SER 208 N 0.83 -0.95 -0.94 0.00 0.02 -0.43 0.15 113.55 112.22 2jgi h SER 208 Ca 0.33 0.03 0.24 0.00 -0.84 0.00 0.00 61.79 61.55 2jgi h SER 208 Cb 0.23 0.25 -0.18 0.00 0.14 0.00 0.00 62.40 62.84 2jgi h SER 208 CO -0.11 -0.63 -0.06 0.52 -1.14 0.00 0.00 176.83 175.40 2jgi n VAL 209 N -5.30 -0.40 -0.30 2.27 0.31 -0.02 0.60 118.33 115.49 2jgi n VAL 209 Ca -0.14 2.10 -0.04 0.00 -0.01 0.00 0.00 64.34 66.25 2jgi n VAL 209 Cb 0.44 -3.02 0.07 0.00 -0.91 0.00 0.00 33.84 30.43 2jgi n VAL 209 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2jgi h GLY 210 N 0.00 1.16 2.00 2.92 0.00 0.01 -1.72 103.07 107.45 2jgi h GLY 210 Ca 0.53 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 2jgi h GLY 210 CO -0.91 0.44 -0.32 -0.33 0.00 0.00 0.00 176.54 175.42 2jgi h MET 211 N 1.11 0.00 -0.06 4.80 2.86 0.30 -1.82 114.93 122.12 2jgi h MET 211 Ca 0.30 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.80 2jgi h MET 211 Cb -0.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2jgi h MET 211 CO -0.06 0.32 -0.56 0.45 1.06 0.00 0.00 176.91 178.13 2jgi h HIS 212 N 0.00 0.24 -0.47 -0.22 3.86 -0.34 -0.77 115.15 117.45 2jgi h HIS 212 Ca -0.00 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.05 2jgi h HIS 212 Cb 0.73 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 2jgi h HIS 212 CO 0.00 0.70 -0.02 0.82 0.86 0.00 0.00 177.93 180.29 2jgi h ILE 213 N 0.15 1.24 -0.01 2.45 2.04 -0.70 -3.02 117.51 119.66 2jgi h ILE 213 Ca -0.00 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.84 2jgi h ILE 213 Cb 1.02 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2jgi h ILE 213 CO 0.08 0.36 -0.11 0.18 0.00 0.00 0.00 178.15 178.66 2jgi n LEU 214 N -4.21 1.07 -4.11 1.44 4.77 -0.75 -4.72 117.00 110.50 2jgi n LEU 214 Ca 0.02 -0.30 -0.33 0.00 -0.03 0.00 0.00 56.01 55.37 2jgi n LEU 214 Cb 0.31 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 2jgi n LEU 214 CO 0.42 0.19 -0.40 -0.55 -1.33 0.00 0.00 177.39 175.72 2jgi s SER 215 N -2.26 4.68 0.24 -1.43 0.15 -0.33 -4.73 113.70 110.02 2jgi s SER 215 Ca 0.32 -1.45 -0.11 0.00 0.70 0.00 0.00 55.95 55.41 2jgi s SER 215 Cb 0.20 -1.63 0.34 0.00 -1.71 0.00 0.00 66.02 63.22 2jgi s SER 215 CO 0.43 -0.25 1.59 0.25 1.20 0.00 0.00 173.24 176.46 2jgi h LEU 216 N 7.85 -0.77 -1.59 3.45 5.85 -1.84 -0.09 115.31 128.17 2jgi h LEU 216 Ca -0.18 0.24 0.21 0.00 0.84 0.00 0.00 57.88 58.99 2jgi h LEU 216 Cb 1.05 0.51 -0.06 0.00 0.37 0.00 0.00 40.66 42.52 2jgi h LEU 216 CO 0.50 -0.27 0.60 -0.65 -0.34 0.00 0.00 178.44 178.28 2jgi h PRO 217 N -0.00 0.32 0.00 5.25 0.11 -1.95 0.48 132.00 136.21 2jgi h PRO 217 Ca 0.39 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.37 2jgi h PRO 217 Cb 0.59 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2jgi h PRO 217 CO -0.83 0.21 -0.48 0.77 -0.21 0.00 0.00 178.00 177.46 2jgi h SER 218 N 0.33 0.00 0.10 -2.05 0.02 -1.26 -3.37 113.55 107.33 2jgi h SER 218 Ca 0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 2jgi h SER 218 Cb 1.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 2jgi h SER 218 CO -0.15 0.48 -0.03 0.03 -1.14 0.00 0.00 176.83 176.03 2jgi h ARG 219 N 0.00 0.00 -0.71 3.45 2.47 -0.82 -0.58 114.38 118.19 2jgi h ARG 219 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jgi h ARG 219 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 2jgi h ARG 219 CO 0.06 0.03 0.00 -1.13 0.56 0.00 0.00 179.97 179.49 2jgi n SER 220 N -3.68 3.33 -0.24 7.04 3.41 -1.26 -4.04 113.62 118.18 2jgi n SER 220 Ca -0.03 -2.42 0.04 0.00 -0.26 0.00 0.00 58.87 56.21 2jgi n SER 220 Cb 0.12 -0.54 0.01 0.00 -0.26 0.00 0.00 64.21 63.54 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 0.40 1.29 -3.81 1.04 4.77 -0.23 -5.03 117.00 115.44 2jgi n LEU 221 Ca 0.15 -0.83 -0.09 0.00 -0.03 0.00 0.00 56.01 55.21 2jgi n LEU 221 Cb 0.69 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 2jgi n LEU 221 CO 0.16 0.26 0.35 0.72 -1.33 0.00 0.00 177.39 177.56 2jgi s PHE 222 N -1.09 -0.10 0.00 -1.77 -0.71 -1.26 -4.86 117.98 108.20 2jgi s PHE 222 Ca 0.08 -0.29 0.00 0.00 -1.04 0.00 0.00 56.93 55.68 2jgi s PHE 222 Cb 0.07 0.51 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 2jgi s PHE 222 CO 0.19 -1.07 0.00 0.72 -1.34 0.00 0.00 175.22 173.72 2jgi n HIS 223 N -0.40 0.00 -4.12 3.49 8.25 0.09 -4.93 115.22 117.60 2jgi n HIS 223 Ca -0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.29 2jgi n HIS 223 Cb 0.61 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.63 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 -1.73 1.06 -0.06 -0.41 0.52 -1.15 -4.35 118.95 112.84 2jgi s ARG 224 Ca 0.00 -1.43 -0.14 0.00 -0.52 0.00 0.00 55.73 53.65 2jgi s ARG 224 Cb 0.00 0.28 0.03 0.00 0.52 0.00 0.00 34.95 35.78 2jgi s ARG 224 CO 0.00 -0.34 0.32 0.00 0.02 0.00 0.00 175.30 175.31 2jgi s ALA 225 N -4.06 -0.81 -0.06 2.13 0.00 -1.08 -1.90 121.76 115.98 2jgi s ALA 225 Ca 0.26 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2jgi s ALA 225 Cb 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2jgi s ALA 225 CO 0.04 -0.22 -0.15 0.08 0.00 0.00 0.00 175.76 175.51 2jgi s VAL 226 N -0.76 1.32 -0.33 0.00 1.01 0.02 -1.16 120.40 120.51 2jgi s VAL 226 Ca -0.08 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2jgi s VAL 226 Cb -0.04 -1.18 0.10 0.00 0.00 0.00 0.00 36.38 35.26 2jgi s VAL 226 CO 0.03 0.39 0.04 -0.76 0.00 0.00 0.00 175.10 174.80 2jgi s LEU 227 N 0.48 4.35 -0.26 3.92 1.02 0.52 -2.84 118.68 125.88 2jgi s LEU 227 Ca -0.13 -2.02 -0.14 0.00 0.02 0.00 0.00 54.13 51.86 2jgi s LEU 227 Cb -0.15 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 2jgi s LEU 227 CO 0.04 -0.36 0.33 -1.10 0.02 0.00 0.00 176.35 175.28 2jgi s GLN 228 N 1.00 4.03 -1.16 1.70 -0.21 -0.04 -2.55 119.66 122.42 2jgi s GLN 228 Ca 0.09 -0.02 -0.05 0.00 0.02 0.00 0.00 55.36 55.39 2jgi s GLN 228 Cb -0.19 -3.64 0.04 0.00 1.00 0.00 0.00 33.01 30.22 2jgi s GLN 228 CO -0.09 -0.21 0.30 0.43 -2.12 0.00 0.00 175.29 173.60 2jgi n SER 229 N 5.13 -3.79 -3.50 5.90 7.64 0.09 -4.13 113.62 120.96 2jgi n SER 229 Ca -0.10 -0.14 -0.09 0.00 1.01 0.00 0.00 58.87 59.55 2jgi n SER 229 Cb 0.51 -3.17 -0.02 0.00 -1.01 0.00 0.00 64.21 60.52 2jgi n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jgi s GLY 230 N -2.45 -0.48 0.09 0.23 0.00 -1.26 -4.84 107.32 98.61 2jgi s GLY 230 Ca 0.24 0.99 -0.09 0.00 0.00 0.00 0.00 44.72 45.86 2jgi s GLY 230 CO 0.29 0.35 0.20 -0.51 0.00 0.00 0.00 173.10 173.43 2jgi s THR 231 N -3.09 0.14 -0.19 0.90 -4.23 -1.26 -4.15 115.64 103.76 2jgi s THR 231 Ca 0.04 -1.16 0.16 0.00 -1.18 0.00 0.00 61.69 59.55 2jgi s THR 231 Cb -0.01 -1.33 0.10 0.00 1.34 0.00 0.00 72.50 72.60 2jgi s THR 231 CO -0.09 -0.64 1.47 1.55 -0.54 0.00 0.00 174.62 176.37 2jgi h PRO 232 N 2.74 0.00 0.00 3.99 0.13 -1.84 -3.39 132.00 133.63 2jgi h PRO 232 Ca -0.34 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.43 2jgi h PRO 232 Cb 1.20 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.48 2jgi h PRO 232 CO 0.56 0.44 0.32 0.27 -0.23 0.00 0.00 178.00 179.36 2jgi n ASN 233 N -3.21 -0.18 0.00 1.44 6.94 -1.26 -4.49 115.26 114.49 2jgi n ASN 233 Ca 0.02 -1.36 0.00 0.00 -0.02 0.00 0.00 54.58 53.22 2jgi n ASN 233 Cb 0.71 -0.86 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 2jgi n ASN 233 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jgi n GLY 234 N -2.54 0.05 0.28 4.83 0.00 -1.26 -4.53 105.19 102.02 2jgi n GLY 234 Ca 0.14 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.90 -3.34 132.00 128.50 2jgi h PRO 235 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 2jgi h PRO 235 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2jgi h PRO 235 CO 0.00 0.00 -1.51 -2.67 -0.23 0.00 0.00 178.00 173.59 2jgi n TRP 236 N -4.42 0.00 0.17 1.56 4.27 -1.26 -4.71 117.44 113.04 2jgi n TRP 236 Ca -0.01 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.61 2jgi n TRP 236 Cb 0.16 -0.30 0.29 0.00 -1.36 0.00 0.00 31.31 30.09 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 0.73 1.20 -2.19 -1.67 0.00 -1.80 -3.47 119.26 112.07 2jgi h ALA 237 Ca -0.09 -0.42 -0.41 0.00 0.00 0.00 0.00 54.91 53.99 2jgi h ALA 237 Cb 0.85 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.42 2jgi h ALA 237 CO 0.00 0.58 -0.60 0.95 0.00 0.00 0.00 179.25 180.19 2jgi s THR 238 N -3.93 0.75 0.03 0.00 -4.23 -1.26 -3.76 115.64 103.23 2jgi s THR 238 Ca -0.02 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 2jgi s THR 238 Cb 0.14 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 2jgi s THR 238 CO 0.74 0.00 -0.00 0.68 -0.54 0.00 0.00 174.62 175.49 2jgi s VAL 239 N -3.56 0.15 0.55 2.29 -7.23 -0.93 -4.96 120.40 106.72 2jgi s VAL 239 Ca 0.36 -1.20 -0.19 0.00 -1.81 0.00 0.00 61.98 59.14 2jgi s VAL 239 Cb 0.08 -0.75 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 2jgi s VAL 239 CO 0.15 -0.66 1.11 -0.94 -0.31 0.00 0.00 175.10 174.45 2jgi s SER 240 N -2.01 5.71 0.12 4.85 1.04 -1.26 -0.12 113.70 122.04 2jgi s SER 240 Ca -0.07 2.12 -0.33 0.00 0.48 0.00 0.00 55.95 58.15 2jgi s SER 240 Cb -0.03 -2.57 -0.12 0.00 0.10 0.00 0.00 66.02 63.40 2jgi s SER 240 CO -0.04 -1.22 1.54 0.00 0.98 0.00 0.00 173.24 174.49 2jgi h ALA 241 N 1.07 -0.82 -0.86 5.32 0.00 -1.92 -1.78 119.26 120.27 2jgi h ALA 241 Ca -0.49 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 54.55 2jgi h ALA 241 Cb 1.25 1.07 -0.16 0.00 0.00 0.00 0.00 17.79 19.96 2jgi h ALA 241 CO 0.57 -1.05 -0.29 0.78 0.00 0.00 0.00 179.25 179.26 2jgi h GLY 242 N -0.46 0.34 1.64 0.00 0.00 -1.93 -2.19 103.07 100.47 2jgi h GLY 242 Ca 0.05 0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.66 2jgi h GLY 242 CO -0.52 -0.27 -0.35 -2.09 0.00 0.00 0.00 176.54 173.31 2jgi h GLU 243 N -0.03 0.41 -0.34 4.80 4.57 -1.74 -2.11 114.58 120.14 2jgi h GLU 243 Ca 0.37 -0.18 -0.13 0.00 -1.18 0.00 0.00 59.36 58.23 2jgi h GLU 243 Cb 0.61 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 2jgi h GLU 243 CO -0.89 0.71 -0.30 0.00 -1.18 0.00 0.00 179.01 177.36 2jgi h ALA 244 N 1.28 0.49 -0.71 2.92 0.00 -0.84 -1.72 119.26 120.69 2jgi h ALA 244 Ca 0.04 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.62 2jgi h ALA 244 Cb 0.78 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2jgi h ALA 244 CO 0.06 0.52 0.39 -0.09 0.00 0.00 0.00 179.25 180.13 2jgi h ARG 245 N 0.58 0.67 0.25 0.00 2.43 -1.24 0.86 114.38 117.93 2jgi h ARG 245 Ca 0.06 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2jgi h ARG 245 Cb 0.87 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2jgi h ARG 245 CO 0.08 0.44 -0.12 -0.09 -1.51 0.00 0.00 179.97 178.77 2jgi h ARG 246 N 0.69 -0.32 -0.68 0.20 2.43 -1.18 -1.43 114.38 114.09 2jgi h ARG 246 Ca 0.33 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 2jgi h ARG 246 Cb 0.27 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2jgi h ARG 246 CO -0.22 -0.21 0.36 0.00 -1.51 0.00 0.00 179.97 178.39 2jgi h ARG 247 N -0.35 0.94 -0.06 0.20 3.08 -0.72 -0.37 114.38 117.11 2jgi h ARG 247 Ca -0.03 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 2jgi h ARG 247 Cb 0.26 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2jgi h ARG 247 CO 0.06 0.70 0.02 0.00 -1.07 0.00 0.00 179.97 179.68 2jgi h ALA 248 N 1.45 0.07 -0.36 0.04 0.00 -0.76 -2.23 119.26 117.48 2jgi h ALA 248 Ca 0.24 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2jgi h ALA 248 Cb 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2jgi h ALA 248 CO -0.04 -0.32 0.18 1.15 0.00 0.00 0.00 179.25 180.22 2jgi h THR 249 N -0.10 0.99 0.00 0.00 2.02 -0.49 -0.08 112.91 115.26 2jgi h THR 249 Ca 0.02 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2jgi h THR 249 Cb 0.20 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2jgi h THR 249 CO -0.00 0.07 -0.13 0.25 0.37 0.00 0.00 175.52 176.08 2jgi h LEU 250 N 0.38 0.00 0.01 2.58 5.85 -1.08 -0.33 115.31 122.71 2jgi h LEU 250 Ca 0.15 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.64 2jgi h LEU 250 Cb 0.05 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.10 2jgi h LEU 250 CO -0.10 0.13 -0.90 0.25 -0.34 0.00 0.00 178.44 177.48 2jgi h LEU 251 N 0.00 0.79 0.37 2.25 5.85 -0.64 -1.30 115.31 122.62 2jgi h LEU 251 Ca -0.00 -0.75 -0.00 0.00 0.84 0.00 0.00 57.88 57.97 2jgi h LEU 251 Cb 0.48 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2jgi h LEU 251 CO 0.02 1.44 -0.46 0.00 -0.34 0.00 0.00 178.44 179.10 2jgi h ALA 252 N 0.37 -0.96 -0.86 1.25 0.00 -0.52 -1.76 119.26 116.77 2jgi h ALA 252 Ca -0.11 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.81 2jgi h ALA 252 Cb 1.58 0.69 -0.10 0.00 0.00 0.00 0.00 17.79 19.95 2jgi h ALA 252 CO 0.18 -1.09 0.43 -0.09 0.00 0.00 0.00 179.25 178.68 2jgi h ARG 253 N -0.86 0.55 0.00 0.00 2.43 -1.16 0.39 114.38 115.73 2jgi h ARG 253 Ca -0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2jgi h ARG 253 Cb 0.78 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2jgi h ARG 253 CO -0.12 0.36 0.00 -0.07 -1.51 0.00 0.00 179.97 178.64 2jgi h LEU 254 N 0.57 0.00 -1.64 3.80 3.38 -0.41 -2.71 115.31 118.29 2jgi h LEU 254 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 2jgi h LEU 254 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2jgi h LEU 254 CO -0.40 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.46 2jgi n VAL 255 N -3.08 0.21 0.00 1.22 0.24 -0.45 -5.00 118.33 111.47 2jgi n VAL 255 Ca -0.01 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 2jgi n VAL 255 Cb 0.17 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 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 0.41 1.96 1.87 7.63 0.00 -0.68 -5.09 105.19 111.29 2jgi n GLY 256 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.38 0.00 0.09 0.00 4.05 -1.26 -4.76 115.26 112.00 2jgi n ASN 265 Ca -0.08 0.47 -0.13 0.00 0.45 0.00 0.00 54.58 55.29 2jgi n ASN 265 Cb 0.33 -0.79 -0.08 0.00 1.23 0.00 0.00 39.78 40.47 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 1.00 -0.17 -0.75 1.20 3.32 -2.01 -2.61 116.42 116.39 2jgi h ASP 266 Ca 0.00 -0.18 0.14 0.00 0.02 0.00 0.00 57.03 57.01 2jgi h ASP 266 Cb 0.00 0.05 -0.14 0.00 0.22 0.00 0.00 39.33 39.45 2jgi h ASP 266 CO 0.00 0.09 -0.24 0.74 -1.72 0.00 0.00 179.24 178.10 2jgi h THR 267 N -0.44 0.19 -0.24 0.35 2.02 -2.01 -0.40 112.91 112.38 2jgi h THR 267 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2jgi h THR 267 Cb 0.35 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2jgi h THR 267 CO 0.03 0.00 0.11 -0.33 0.37 0.00 0.00 175.52 175.70 2jgi h GLU 268 N -0.04 0.35 -0.82 6.66 5.08 -1.98 0.75 114.58 124.58 2jgi h GLU 268 Ca 0.34 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2jgi h GLU 268 Cb 0.57 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2jgi h GLU 268 CO -0.79 0.38 0.53 1.25 -1.00 0.00 0.00 179.01 179.38 2jgi h LEU 269 N 0.25 0.95 0.09 1.33 6.46 -0.80 -2.03 115.31 121.56 2jgi h LEU 269 Ca 0.08 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2jgi h LEU 269 Cb 0.15 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 2jgi h LEU 269 CO -0.01 0.70 -0.05 0.40 -0.62 0.00 0.00 178.44 178.87 2jgi h ILE 270 N 1.12 0.86 -0.98 4.05 2.04 -0.91 -2.96 117.51 120.73 2jgi h ILE 270 Ca 0.30 -1.38 0.34 0.00 1.00 0.00 0.00 64.86 65.13 2jgi h ILE 270 Cb -0.11 1.54 -0.17 0.00 -0.74 0.00 0.00 36.82 37.34 2jgi h ILE 270 CO -0.06 0.26 0.36 0.00 0.00 0.00 0.00 178.15 178.71 2jgi h ALA 271 N -0.41 1.75 0.40 1.87 0.00 -0.78 0.38 119.26 122.48 2jgi h ALA 271 Ca -0.01 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2jgi h ALA 271 Cb 0.52 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2jgi h ALA 271 CO 0.02 -0.74 -0.21 0.00 0.00 0.00 0.00 179.25 178.32 2jgi h LEU 273 N -0.57 0.40 -1.60 0.00 3.38 -0.12 -1.67 115.31 115.13 2jgi h LEU 273 Ca -0.05 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.08 2jgi h LEU 273 Cb 0.45 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2jgi h LEU 273 CO 0.07 0.19 0.38 0.03 0.09 0.00 0.00 178.44 179.20 2jgi h ARG 274 N 0.54 0.47 0.00 1.13 3.08 -1.13 0.42 114.38 118.89 2jgi h ARG 274 Ca 0.39 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.41 2jgi h ARG 274 Cb 0.51 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2jgi h ARG 274 CO -0.34 0.31 -0.03 1.79 -1.07 0.00 0.00 179.97 180.64 2jgi h THR 275 N 0.48 0.49 -3.56 2.04 1.35 -1.21 -3.45 112.91 109.05 2jgi h THR 275 Ca 0.25 -0.13 -0.52 0.00 -0.55 0.00 0.00 66.41 65.46 2jgi h THR 275 Cb 0.37 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 67.85 2jgi h THR 275 CO -0.07 0.03 0.37 -0.13 -0.25 0.00 0.00 175.52 175.46 2jgi s ARG 276 N -4.49 4.69 0.49 4.72 1.81 0.13 -5.02 118.95 121.30 2jgi s ARG 276 Ca -0.04 1.46 -0.20 0.00 -1.72 0.00 0.00 55.73 55.23 2jgi s ARG 276 Cb 0.14 -3.38 -0.12 0.00 -0.45 0.00 0.00 34.95 31.15 2jgi s ARG 276 CO 0.55 0.20 0.39 -2.30 -0.68 0.00 0.00 175.30 173.46 2jgi n PRO 277 N 2.81 0.42 -0.22 3.54 -0.02 -1.26 -4.87 135.00 135.39 2jgi n PRO 277 Ca 0.02 0.16 -0.04 0.00 -2.02 0.00 0.00 63.50 61.62 2jgi n PRO 277 Cb 0.49 -1.46 0.06 0.00 -0.02 0.00 0.00 33.50 32.57 2jgi n PRO 277 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jgi h ALA 278 N 0.41 0.83 0.00 3.55 0.00 -1.96 -2.68 119.26 119.41 2jgi h ALA 278 Ca -0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2jgi h ALA 278 Cb 1.41 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jgi h ALA 278 CO 0.48 0.15 -0.13 0.37 0.00 0.00 0.00 179.25 180.12 2jgi h GLN 279 N 0.78 0.00 -0.80 0.00 5.75 -2.00 -2.02 115.11 116.81 2jgi h GLN 279 Ca 0.26 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.72 2jgi h GLN 279 Cb 0.02 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 2jgi h GLN 279 CO -0.10 0.13 0.34 -0.44 -2.65 0.00 0.00 178.83 176.11 2jgi h ASP 280 N 0.00 1.08 0.10 -0.69 3.32 -1.83 -2.19 116.42 116.21 2jgi h ASP 280 Ca -0.00 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 2jgi h ASP 280 Cb 0.38 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2jgi h ASP 280 CO 0.02 0.94 -0.36 -0.07 -1.72 0.00 0.00 179.24 178.05 2jgi h LEU 281 N 1.15 0.38 -0.55 1.55 4.07 -1.44 -3.02 115.31 117.46 2jgi h LEU 281 Ca 0.27 -0.15 -0.16 0.00 0.08 0.00 0.00 57.88 57.93 2jgi h LEU 281 Cb 0.18 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 2jgi h LEU 281 CO -0.03 0.71 -0.72 0.58 -1.08 0.00 0.00 178.44 177.91 2jgi h VAL 282 N 0.31 1.48 -0.43 1.22 2.07 -1.40 -2.56 116.25 116.95 2jgi h VAL 282 Ca 0.04 -2.38 0.09 0.00 0.82 0.00 0.00 66.70 65.27 2jgi h VAL 282 Cb 0.78 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 2jgi h VAL 282 CO 0.06 0.69 0.30 0.44 0.02 0.00 0.00 177.57 179.07 2jgi h ASP 283 N 0.05 0.17 -0.14 0.57 3.32 -1.26 -2.73 116.42 116.40 2jgi h ASP 283 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2jgi h ASP 283 Cb 1.27 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2jgi h ASP 283 CO 0.10 0.11 0.00 1.41 -1.72 0.00 0.00 179.24 179.14 2jgi n HIS 284 N -4.46 0.19 -0.36 4.55 8.25 -1.17 -4.60 115.22 117.63 2jgi n HIS 284 Ca 0.06 -0.48 0.06 0.00 -0.26 0.00 0.00 57.72 57.10 2jgi n HIS 284 Cb 0.37 -0.04 0.22 0.00 1.12 0.00 0.00 29.99 31.66 2jgi n HIS 284 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2jgi h GLU 285 N 0.86 0.98 -0.78 -0.41 5.08 -1.12 -2.61 114.58 116.58 2jgi h GLU 285 Ca 0.00 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 2jgi h GLU 285 Cb 0.59 -0.22 -0.13 0.00 0.50 0.00 0.00 28.75 29.49 2jgi h GLU 285 CO 0.00 0.65 0.27 0.91 -1.00 0.00 0.00 179.01 179.84 2jgi n TRP 286 N -4.61 2.38 -0.63 4.33 7.02 -1.26 -3.86 117.44 120.82 2jgi n TRP 286 Ca 0.18 -1.16 0.02 0.00 -1.02 0.00 0.00 57.50 55.52 2jgi n TRP 286 Cb 0.31 -0.68 0.03 0.00 -2.42 0.00 0.00 31.31 28.56 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 -0.13 0.00 -0.03 -5.99 8.25 -0.98 -4.69 115.22 111.65 2jgi n HIS 287 Ca 0.40 -0.49 0.05 0.00 -0.26 0.00 0.00 57.72 57.42 2jgi n HIS 287 Cb 1.35 -0.07 -0.16 0.00 1.12 0.00 0.00 29.99 32.24 2jgi n HIS 287 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2jgi n VAL 288 N -0.59 0.45 -3.66 1.59 0.31 -1.25 -4.43 118.33 110.75 2jgi n VAL 288 Ca 0.04 -0.61 -0.36 0.00 -0.01 0.00 0.00 64.34 63.40 2jgi n VAL 288 Cb 0.43 -0.17 -0.07 0.00 -0.91 0.00 0.00 33.84 33.12 2jgi n VAL 288 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2jgi s LEU 289 N -4.88 5.48 0.50 7.52 1.43 -1.26 -4.90 118.68 122.57 2jgi s LEU 289 Ca -0.08 -3.49 0.33 0.00 -1.03 0.00 0.00 54.13 49.86 2jgi s LEU 289 Cb 0.11 -1.89 1.61 0.00 0.03 0.00 0.00 46.19 46.05 2jgi s LEU 289 CO 0.88 -0.24 2.01 -0.65 0.23 0.00 0.00 176.35 178.58 2jgi h PRO 290 N 6.29 0.00 -6.34 1.29 0.11 -1.89 -3.43 132.00 128.03 2jgi h PRO 290 Ca 0.11 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.61 2jgi h PRO 290 Cb 0.85 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.99 2jgi h PRO 290 CO 0.81 0.00 0.96 1.04 -0.21 0.00 0.00 178.00 180.60 2jgi n GLN 291 N -2.79 2.04 -1.96 1.05 6.02 -1.26 -4.85 117.38 115.64 2jgi n GLN 291 Ca -0.01 0.75 -0.25 0.00 -0.01 0.00 0.00 57.00 57.48 2jgi n GLN 291 Cb 0.17 -2.55 -0.07 0.00 1.02 0.00 0.00 30.24 28.81 2jgi n GLN 291 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2jgi s GLU 292 N 2.89 2.18 0.60 -1.09 2.02 -1.26 -4.88 118.70 119.16 2jgi s GLU 292 Ca 0.88 -0.95 0.01 0.00 0.02 0.00 0.00 54.97 54.93 2jgi s GLU 292 Cb -0.73 -5.17 0.07 0.00 0.10 0.00 0.00 34.13 28.40 2jgi s GLU 292 CO 0.48 -4.33 0.84 0.45 0.02 0.00 0.00 175.26 172.72 2jgi s SER 293 N 7.06 4.97 0.00 -0.19 0.15 -1.26 -4.50 113.70 119.94 2jgi s SER 293 Ca 0.72 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2jgi s SER 293 Cb -0.02 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 2jgi s SER 293 CO 0.14 -1.38 0.00 -0.38 1.20 0.00 0.00 173.24 172.82 2jgi n ILE 294 N -2.48 0.00 -0.70 6.45 5.41 -1.25 -4.70 119.36 122.09 2jgi n ILE 294 Ca 0.11 0.23 -0.24 0.00 1.00 0.00 0.00 62.75 63.85 2jgi n ILE 294 Cb 0.60 -1.18 -0.03 0.00 -0.71 0.00 0.00 39.64 38.32 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 -1.89 1.19 0.00 1.39 3.01 -1.26 -4.60 117.46 115.30 2jgi n PHE 295 Ca 0.00 -1.63 0.00 0.00 1.01 0.00 0.00 57.45 56.83 2jgi n PHE 295 Cb 0.00 -1.46 0.00 0.00 -0.01 0.00 0.00 39.48 38.01 2jgi n PHE 295 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2jgi n ARG 296 N 5.12 0.00 -2.08 -1.08 1.85 -1.26 -4.86 116.66 114.34 2jgi n ARG 296 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.24 2jgi n ARG 296 Cb 0.18 -0.31 0.00 0.00 -1.05 0.00 0.00 32.46 31.28 2jgi n ARG 296 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 2jgi n PHE 297 N -0.07 0.00 0.16 2.89 -1.74 -1.26 -4.82 117.46 112.62 2jgi n PHE 297 Ca 0.00 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.91 2jgi n PHE 297 Cb 0.00 -0.97 0.38 0.00 1.52 0.00 0.00 39.48 40.41 2jgi n PHE 297 CO 0.00 0.00 0.00 0.77 -0.56 0.00 0.00 176.76 176.97 2jgi h SER 298 N 4.11 0.10 -3.68 5.98 0.02 -1.96 -3.41 113.55 114.71 2jgi h SER 298 Ca 0.00 -0.03 -0.67 0.00 -0.84 0.00 0.00 61.79 60.25 2jgi h SER 298 Cb 0.00 -0.03 -0.38 0.00 0.14 0.00 0.00 62.40 62.14 2jgi h SER 298 CO 0.00 0.38 -0.69 -0.36 -1.14 0.00 0.00 176.83 175.01 2jgi s PHE 299 N -4.42 3.61 0.24 3.45 0.08 -1.26 -5.02 117.98 114.66 2jgi s PHE 299 Ca -0.04 -2.67 0.01 0.00 0.12 0.00 0.00 56.93 54.35 2jgi s PHE 299 Cb 0.15 -2.77 -0.05 0.00 -0.57 0.00 0.00 43.02 39.78 2jgi s PHE 299 CO 0.73 -0.93 0.07 0.14 -0.10 0.00 0.00 175.22 175.13 2jgi s VAL 300 N 1.02 0.60 0.37 -0.44 -7.23 -1.26 -4.53 120.40 108.92 2jgi s VAL 300 Ca 0.06 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.98 2jgi s VAL 300 Cb -0.20 -2.51 -0.12 0.00 0.56 0.00 0.00 36.38 34.11 2jgi s VAL 300 CO -0.06 -0.12 0.93 -2.65 -0.31 0.00 0.00 175.10 172.89 2jgi n PRO 301 N -0.41 1.22 -4.37 4.82 -0.02 -1.25 -4.73 135.00 130.26 2jgi n PRO 301 Ca -0.02 0.43 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 2jgi n PRO 301 Cb 0.65 -1.88 -0.09 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.22 4.16 -0.37 -1.45 0.11 -1.26 -2.19 120.40 118.18 2jgi s VAL 302 Ca 0.61 -0.43 -0.29 0.00 -2.93 0.00 0.00 61.98 58.94 2jgi s VAL 302 Cb -0.62 -2.79 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 2jgi s VAL 302 CO 0.58 0.50 1.42 -0.69 -3.33 0.00 0.00 175.10 173.58 2jgi s VAL 303 N -0.96 3.92 0.00 2.04 1.01 0.83 -4.64 120.40 122.59 2jgi s VAL 303 Ca 0.16 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2jgi s VAL 303 Cb -0.11 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2jgi s VAL 303 CO 0.06 -0.65 0.36 -0.90 0.00 0.00 0.00 175.10 173.97 2jgi n ASP 304 N 8.61 0.72 -0.16 3.32 5.75 -1.21 -3.05 116.55 130.53 2jgi n ASP 304 Ca 0.17 -0.87 -0.02 0.00 -0.01 0.00 0.00 54.79 54.06 2jgi n ASP 304 Cb 0.47 0.26 -0.01 0.00 -1.03 0.00 0.00 41.12 40.81 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 0.26 0.35 0.00 6.12 0.00 0.23 -4.82 105.19 107.34 2jgi n GLY 305 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.64 0.00 0.04 1.61 -0.08 -1.26 -4.69 116.55 111.54 2jgi n ASP 306 Ca -0.02 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.13 2jgi n ASP 306 Cb 0.37 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.75 2jgi n ASP 306 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2jgi h PHE 307 N 0.00 -0.05 -3.35 -0.67 3.04 -1.92 -3.33 116.94 110.66 2jgi h PHE 307 Ca 0.00 -0.00 -0.73 0.00 3.98 0.00 0.00 57.97 61.21 2jgi h PHE 307 Cb 0.00 0.02 -0.22 0.00 2.56 0.00 0.00 35.95 38.30 2jgi h PHE 307 CO 0.00 0.12 -0.35 -0.51 -2.02 0.00 0.00 178.31 175.54 2jgi s LEU 308 N -9.88 5.51 0.08 0.59 1.43 -1.26 -4.53 118.68 110.62 2jgi s LEU 308 Ca -0.14 -1.25 0.16 0.00 -1.03 0.00 0.00 54.13 51.87 2jgi s LEU 308 Cb 0.04 -2.17 0.70 0.00 0.03 0.00 0.00 46.19 44.79 2jgi s LEU 308 CO 0.66 -0.61 1.51 -1.54 0.23 0.00 0.00 176.35 176.60 2jgi n SER 309 N 5.19 0.20 -3.28 2.29 3.41 -1.25 -0.60 113.62 119.58 2jgi n SER 309 Ca -0.12 0.55 -0.03 0.00 -0.26 0.00 0.00 58.87 59.01 2jgi n SER 309 Cb 0.44 -0.59 0.02 0.00 -0.26 0.00 0.00 64.21 63.82 2jgi n SER 309 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2jgi n ASP 310 N -1.72 -1.69 -4.76 4.04 -0.08 -1.26 -4.54 116.55 106.54 2jgi n ASP 310 Ca 0.03 -1.87 -0.38 0.00 -1.51 0.00 0.00 54.79 51.06 2jgi n ASP 310 Cb 0.17 2.75 0.02 0.00 2.34 0.00 0.00 41.12 46.40 2jgi n ASP 310 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2jgi s THR 311 N -2.07 2.44 0.27 5.18 -4.23 -1.26 -4.73 115.64 111.24 2jgi s THR 311 Ca 0.23 0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 61.07 2jgi s THR 311 Cb -0.03 -3.17 0.25 0.00 1.34 0.00 0.00 72.50 70.89 2jgi s THR 311 CO 0.05 -0.00 1.74 -0.65 -0.54 0.00 0.00 174.62 175.22 2jgi h PRO 312 N 1.69 0.51 -0.06 3.99 0.11 -1.98 0.42 132.00 136.67 2jgi h PRO 312 Ca -0.50 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.61 2jgi h PRO 312 Cb 1.28 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2jgi h PRO 312 CO 0.58 0.33 -0.17 0.93 -0.21 0.00 0.00 178.00 179.47 2jgi h GLU 313 N 0.52 -0.24 -0.07 1.05 3.07 -1.91 1.09 114.58 118.09 2jgi h GLU 313 Ca 0.48 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.37 2jgi h GLU 313 Cb 0.76 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 2jgi h GLU 313 CO -0.42 -0.16 0.00 0.00 -1.40 0.00 0.00 179.01 177.04 2jgi h ALA 314 N 0.73 0.06 -0.59 3.43 0.00 -1.59 0.55 119.26 121.85 2jgi h ALA 314 Ca 0.07 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2jgi h ALA 314 Cb 0.35 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2jgi h ALA 314 CO -0.21 -0.47 0.19 -0.07 0.00 0.00 0.00 179.25 178.69 2jgi h LEU 315 N 0.03 0.85 -0.73 0.00 3.38 0.22 -2.60 115.31 116.46 2jgi h LEU 315 Ca 0.03 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2jgi h LEU 315 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2jgi h LEU 315 CO -0.05 0.83 0.25 0.40 0.09 0.00 0.00 178.44 179.95 2jgi h ILE 316 N 0.83 1.26 -0.63 1.22 2.04 0.14 -1.67 117.51 120.70 2jgi h ILE 316 Ca 0.19 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 2jgi h ILE 316 Cb 0.28 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2jgi h ILE 316 CO -0.01 0.34 0.29 0.78 0.00 0.00 0.00 178.15 179.55 2jgi h ASN 317 N 1.07 0.81 0.00 1.72 2.35 -0.52 -3.30 115.58 117.71 2jgi h ASN 317 Ca 0.24 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2jgi h ASN 317 Cb 0.28 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2jgi h ASN 317 CO -0.01 0.70 -1.64 0.35 -1.65 0.00 0.00 177.43 175.18 2jgi n THR 318 N -4.34 0.00 -1.36 2.81 -2.24 -1.04 -5.03 114.28 103.07 2jgi n THR 318 Ca 0.06 -0.35 -0.34 0.00 -2.27 0.00 0.00 64.05 61.14 2jgi n THR 318 Cb 0.14 0.23 0.10 0.00 -2.10 0.00 0.00 70.33 68.71 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 -3.76 2.38 -0.24 3.38 0.00 -0.64 -5.02 107.32 103.42 2jgi s GLY 319 Ca -0.05 0.94 -0.08 0.00 0.00 0.00 0.00 44.72 45.54 2jgi s GLY 319 CO 0.70 1.36 0.08 -0.35 0.00 0.00 0.00 173.10 174.88 2jgi s ASP 320 N -1.95 5.26 -0.25 1.64 2.15 -1.26 -4.90 116.67 117.37 2jgi s ASP 320 Ca 0.76 -0.15 0.10 0.00 0.43 0.00 0.00 52.55 53.68 2jgi s ASP 320 Cb -0.31 -1.94 0.44 0.00 -0.30 0.00 0.00 42.92 40.81 2jgi s ASP 320 CO 0.46 -0.00 1.20 0.49 -0.17 0.00 0.00 175.17 177.16 2jgi n PHE 321 N 4.70 1.37 -0.13 -5.34 3.72 -0.97 -4.90 117.46 115.91 2jgi n PHE 321 Ca -0.16 -1.85 -0.09 0.00 -0.05 0.00 0.00 57.45 55.30 2jgi n PHE 321 Cb 0.52 -0.29 -0.07 0.00 -0.94 0.00 0.00 39.48 38.70 2jgi n PHE 321 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2jgi h GLN 322 N 1.61 -0.22 -2.94 -1.08 1.08 -1.75 -2.40 115.11 109.41 2jgi h GLN 322 Ca 0.17 0.01 -0.78 0.00 -1.45 0.00 0.00 58.65 56.61 2jgi h GLN 322 Cb 1.29 0.05 -0.30 0.00 -0.05 0.00 0.00 27.48 28.46 2jgi h GLN 322 CO 0.38 -0.14 0.53 -0.25 -0.95 0.00 0.00 178.83 178.39 2jgi n ASP 323 N -4.52 5.87 -3.68 1.46 8.00 -1.26 -4.53 116.55 117.89 2jgi n ASP 323 Ca -0.02 -3.35 -0.11 0.00 0.71 0.00 0.00 54.79 52.02 2jgi n ASP 323 Cb 0.22 -1.20 -0.11 0.00 -0.02 0.00 0.00 41.12 40.01 2jgi n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jgi s LEU 324 N -2.48 -0.24 -0.08 0.64 2.96 -1.21 -5.02 118.68 113.25 2jgi s LEU 324 Ca 0.32 0.83 -0.01 0.00 -0.22 0.00 0.00 54.13 55.05 2jgi s LEU 324 Cb 0.03 1.16 -0.03 0.00 0.50 0.00 0.00 46.19 47.85 2jgi s LEU 324 CO 0.05 -0.21 -0.03 -1.10 -1.32 0.00 0.00 176.35 173.74 2jgi s GLN 325 N 1.95 2.87 -0.09 1.98 1.11 -1.26 0.06 119.66 126.29 2jgi s GLN 325 Ca -0.05 -0.48 -0.05 0.00 0.01 0.00 0.00 55.36 54.80 2jgi s GLN 325 Cb -0.10 -2.70 0.04 0.00 -1.01 0.00 0.00 33.01 29.24 2jgi s GLN 325 CO -0.12 0.68 0.20 0.08 0.01 0.00 0.00 175.29 176.15 2jgi s VAL 326 N -0.84 -0.04 -0.22 1.09 1.01 0.62 -2.63 120.40 119.39 2jgi s VAL 326 Ca 0.13 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 2jgi s VAL 326 Cb -0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 2jgi s VAL 326 CO 0.02 0.05 0.08 -0.22 0.00 0.00 0.00 175.10 175.03 2jgi s LEU 327 N 1.03 3.63 -0.00 3.92 2.96 -0.31 -0.44 118.68 129.47 2jgi s LEU 327 Ca -0.08 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2jgi s LEU 327 Cb -0.09 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 2jgi s LEU 327 CO -0.06 0.05 -0.10 0.68 -1.32 0.00 0.00 176.35 175.60 2jgi s VAL 328 N 1.12 0.78 0.37 1.68 -7.23 0.10 -0.35 120.40 116.87 2jgi s VAL 328 Ca 0.05 -0.49 -0.16 0.00 -1.81 0.00 0.00 61.98 59.56 2jgi s VAL 328 Cb -0.14 -0.67 0.05 0.00 0.56 0.00 0.00 36.38 36.18 2jgi s VAL 328 CO 0.03 0.17 0.77 -0.83 -0.31 0.00 0.00 175.10 174.93 2jgi s GLY 329 N -0.37 0.33 0.19 2.32 0.00 -1.06 -1.57 107.32 107.17 2jgi s GLY 329 Ca 0.03 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.06 2jgi s GLY 329 CO -0.00 -0.30 0.02 -1.34 0.00 0.00 0.00 173.10 171.48 2jgi s VAL 330 N -2.60 0.67 0.41 1.40 -7.23 -0.86 -0.73 120.40 111.46 2jgi s VAL 330 Ca 0.15 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.39 2jgi s VAL 330 Cb -0.05 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.65 2jgi s VAL 330 CO 0.11 -0.36 0.57 0.68 -0.31 0.00 0.00 175.10 175.79 2jgi s VAL 331 N -3.67 3.38 0.45 1.32 -7.23 -1.26 0.59 120.40 113.97 2jgi s VAL 331 Ca 0.27 -0.92 0.21 0.00 -1.81 0.00 0.00 61.98 59.73 2jgi s VAL 331 Cb 0.06 -3.17 0.24 0.00 0.56 0.00 0.00 36.38 34.08 2jgi s VAL 331 CO 0.06 -0.08 2.05 0.50 -0.31 0.00 0.00 175.10 177.33 2jgi h LYS 332 N 0.63 0.00 -1.72 4.82 3.64 -0.40 -3.32 116.57 120.22 2jgi h LYS 332 Ca -0.43 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.49 2jgi h LYS 332 Cb 1.27 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.69 2jgi h LYS 332 CO 0.49 0.14 -1.12 -0.25 -2.27 0.00 0.00 179.45 176.44 2jgi n ASP 333 N -4.03 1.54 -0.21 4.20 9.92 -0.63 -4.91 116.55 122.44 2jgi n ASP 333 Ca -0.02 -3.02 0.01 0.00 -0.53 0.00 0.00 54.79 51.22 2jgi n ASP 333 Cb 0.22 -0.58 0.11 0.00 -0.64 0.00 0.00 41.12 40.23 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 2.98 0.13 -0.00 -1.24 4.39 -1.74 -2.96 114.58 116.14 2jgi h GLU 334 Ca 0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2jgi h GLU 334 Cb 0.98 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2jgi h GLU 334 CO 0.55 0.09 -0.03 0.41 -1.16 0.00 0.00 179.01 178.87 2jgi n GLY 335 N -1.36 -1.48 0.14 -3.84 0.00 -1.22 -3.81 105.19 93.62 2jgi n GLY 335 Ca 0.09 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2jgi n GLY 335 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jgi h SER 336 N 0.00 -0.23 -0.93 1.61 4.64 -1.70 -3.03 113.55 113.90 2jgi h SER 336 Ca 0.00 -0.10 0.23 0.00 -0.47 0.00 0.00 61.79 61.45 2jgi h SER 336 Cb 0.49 0.06 -0.13 0.00 -0.31 0.00 0.00 62.40 62.52 2jgi h SER 336 CO 0.00 -0.04 0.46 0.22 -0.87 0.00 0.00 176.83 176.60 2jgi h TYR 337 N -0.42 0.77 0.00 4.77 3.20 -1.79 -0.95 116.97 122.55 2jgi h TYR 337 Ca -0.03 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2jgi h TYR 337 Cb 0.32 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2jgi h TYR 337 CO -0.02 -0.02 0.00 1.19 -1.64 0.00 0.00 178.16 177.66 2jgi n PHE 338 N -5.00 0.00 0.03 -3.82 3.01 -1.15 -3.54 117.46 107.00 2jgi n PHE 338 Ca 0.24 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.56 2jgi n PHE 338 Cb 0.70 -0.46 -0.04 0.00 -0.01 0.00 0.00 39.48 39.67 2jgi n PHE 338 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2jgi h LEU 339 N 0.00 0.70 -0.48 4.37 3.38 -1.17 -2.99 115.31 119.12 2jgi h LEU 339 Ca 0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2jgi h LEU 339 Cb 0.41 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2jgi h LEU 339 CO 0.00 1.28 0.00 1.33 0.09 0.00 0.00 178.44 181.14 2jgi n VAL 340 N -3.85 1.02 -1.64 1.22 0.24 -1.23 -2.63 118.33 111.46 2jgi n VAL 340 Ca -0.07 0.32 -0.34 0.00 -2.04 0.00 0.00 64.34 62.21 2jgi n VAL 340 Cb 0.77 -1.21 0.02 0.00 -1.47 0.00 0.00 33.84 31.96 2jgi n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgi n TYR 341 N -1.92 2.60 0.00 6.34 4.02 -1.13 -4.70 117.16 122.37 2jgi n TYR 341 Ca 0.02 -2.33 0.00 0.00 -0.01 0.00 0.00 57.90 55.58 2jgi n TYR 341 Cb 0.16 -1.27 0.00 0.00 -0.02 0.00 0.00 39.34 38.22 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 -0.21 1.55 3.63 2.72 0.00 -1.25 -4.92 105.19 106.71 2jgi n GLY 342 Ca 0.53 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.06 4.78 0.61 1.61 1.01 -1.08 -5.03 120.40 121.23 2jgi s VAL 343 Ca 0.00 1.43 -0.18 0.00 0.00 0.00 0.00 61.98 63.23 2jgi s VAL 343 Cb 0.00 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2jgi s VAL 343 CO 0.00 -0.20 0.97 -2.65 0.00 0.00 0.00 175.10 173.22 2jgi n PRO 344 N 6.19 0.88 -0.56 2.72 -0.02 -1.26 -2.83 135.00 140.12 2jgi n PRO 344 Ca 0.06 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2jgi n PRO 344 Cb 0.48 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2jgi n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgi n GLY 345 N 1.28 1.61 3.39 -1.23 0.00 -1.26 -5.00 105.19 103.99 2jgi n GLY 345 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.47 2.96 0.06 1.61 0.40 -1.13 -4.55 117.98 113.87 2jgi s PHE 346 Ca 0.00 -0.66 -0.13 0.00 -0.60 0.00 0.00 56.93 55.54 2jgi s PHE 346 Cb 0.00 -2.03 0.02 0.00 0.51 0.00 0.00 43.02 41.52 2jgi s PHE 346 CO 0.00 -0.33 0.29 0.45 0.70 0.00 0.00 175.22 176.33 2jgi s SER 347 N 0.98 -0.09 0.31 1.36 0.15 -1.26 -4.46 113.70 110.69 2jgi s SER 347 Ca 0.00 -0.29 0.26 0.00 0.70 0.00 0.00 55.95 56.62 2jgi s SER 347 Cb -0.15 0.36 0.88 0.00 -1.71 0.00 0.00 66.02 65.41 2jgi s SER 347 CO 0.01 -0.66 1.76 0.07 1.20 0.00 0.00 173.24 175.62 2jgi h LYS 348 N 3.07 0.00 0.12 5.44 2.10 -1.98 -3.37 116.57 121.94 2jgi h LYS 348 Ca -0.32 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.97 2jgi h LYS 348 Cb 1.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.52 2jgi h LYS 348 CO 0.48 0.00 -1.92 -0.25 -2.00 0.00 0.00 179.45 175.76 2jgi n ASP 349 N -2.50 2.11 -2.53 7.07 8.00 -1.26 -4.32 116.55 123.12 2jgi n ASP 349 Ca 0.03 0.24 -0.04 0.00 0.71 0.00 0.00 54.79 55.73 2jgi n ASP 349 Cb 0.36 -0.88 0.01 0.00 -0.02 0.00 0.00 41.12 40.59 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 -3.58 0.36 -0.23 -2.24 0.23 -1.26 -5.01 115.26 103.53 2jgi n ASN 350 Ca -0.32 -1.27 0.14 0.00 -0.53 0.00 0.00 54.58 52.61 2jgi n ASN 350 Cb 1.01 -0.09 0.63 0.00 -2.08 0.00 0.00 39.78 39.26 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 -1.26 1.12 -3.09 -3.83 1.02 -1.26 -4.83 120.64 108.51 2jgi n GLU 351 Ca 0.03 -0.47 -0.21 0.00 -0.02 0.00 0.00 57.16 56.50 2jgi n GLU 351 Cb 0.11 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2jgi n GLU 351 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jgi n SER 352 N -0.53 -4.19 -4.55 1.62 7.64 -1.26 -4.88 113.62 107.47 2jgi n SER 352 Ca 0.18 -0.24 -0.33 0.00 1.01 0.00 0.00 58.87 59.49 2jgi n SER 352 Cb 0.27 -3.47 -0.04 0.00 -1.01 0.00 0.00 64.21 59.97 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 -6.33 3.28 0.43 -3.43 1.43 -1.26 -4.78 118.68 108.02 2jgi s LEU 353 Ca 0.29 0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 53.92 2jgi s LEU 353 Cb -0.15 -2.52 -0.06 0.00 0.03 0.00 0.00 46.19 43.49 2jgi s LEU 353 CO 0.36 -2.91 0.80 0.27 0.23 0.00 0.00 176.35 175.10 2jgi s ILE 354 N 11.75 4.77 0.64 -0.59 -4.36 -1.24 -4.95 121.20 127.21 2jgi s ILE 354 Ca 0.88 0.66 -0.11 0.00 -0.26 0.00 0.00 60.65 61.81 2jgi s ILE 354 Cb -0.15 -3.74 -0.03 0.00 1.25 0.00 0.00 42.46 39.80 2jgi s ILE 354 CO 0.20 -0.57 1.04 -0.94 0.24 0.00 0.00 174.94 174.91 2jgi s SER 355 N -3.23 5.95 0.25 4.36 1.04 -1.26 -4.24 113.70 116.57 2jgi s SER 355 Ca 0.52 1.51 -0.04 0.00 0.48 0.00 0.00 55.95 58.42 2jgi s SER 355 Cb -0.10 -2.48 0.36 0.00 0.10 0.00 0.00 66.02 63.90 2jgi s SER 355 CO 0.33 -1.06 1.87 -0.09 0.98 0.00 0.00 173.24 175.27 2jgi h ARG 356 N -0.35 1.05 -0.57 4.02 2.43 -1.90 -1.93 114.38 117.13 2jgi h ARG 356 Ca -0.44 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2jgi h ARG 356 Cb 1.20 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 2jgi h ARG 356 CO 0.60 0.70 0.32 0.00 -1.51 0.00 0.00 179.97 180.07 2jgi h ALA 357 N 1.43 1.48 -0.14 2.80 0.00 -1.99 -0.54 119.26 122.30 2jgi h ALA 357 Ca 0.40 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 2jgi h ALA 357 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jgi h ALA 357 CO -0.17 0.43 -0.32 1.96 0.00 0.00 0.00 179.25 181.15 2jgi h GLN 358 N 0.79 0.28 -0.35 0.00 4.20 -1.80 -2.31 115.11 115.92 2jgi h GLN 358 Ca 0.20 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 2jgi h GLN 358 Cb 0.02 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2jgi h GLN 358 CO -0.03 0.58 -0.22 0.35 -0.67 0.00 0.00 178.83 178.84 2jgi h PHE 359 N 0.24 0.90 -0.66 2.96 3.04 -0.38 0.16 116.94 123.20 2jgi h PHE 359 Ca 0.03 -0.24 -0.07 0.00 3.98 0.00 0.00 57.97 61.67 2jgi h PHE 359 Cb 0.70 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.98 2jgi h PHE 359 CO 0.01 0.98 0.13 -0.07 -2.02 0.00 0.00 178.31 177.35 2jgi h LEU 360 N 0.55 1.04 -0.74 0.59 3.38 -1.32 -2.48 115.31 116.32 2jgi h LEU 360 Ca 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2jgi h LEU 360 Cb 0.77 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2jgi h LEU 360 CO 0.06 1.02 0.42 0.00 0.09 0.00 0.00 178.44 180.03 2jgi h ALA 361 N 1.05 0.95 -0.61 1.53 0.00 -1.01 -2.98 119.26 118.19 2jgi h ALA 361 Ca 0.20 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2jgi h ALA 361 Cb 0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jgi h ALA 361 CO 0.01 0.45 0.08 0.78 0.00 0.00 0.00 179.25 180.57 2jgi h GLY 362 N 1.02 1.08 1.23 0.00 0.00 -0.47 -2.88 103.07 103.06 2jgi h GLY 362 Ca 0.26 -0.71 0.02 0.00 0.00 0.00 0.00 47.33 46.90 2jgi h GLY 362 CO -0.04 0.66 0.49 -2.08 0.00 0.00 0.00 176.54 175.57 2jgi h VAL 363 N 0.94 1.16 0.00 4.60 2.07 -1.29 0.33 116.25 124.05 2jgi h VAL 363 Ca 0.19 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 2jgi h VAL 363 Cb 0.44 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2jgi h VAL 363 CO 0.01 0.18 -0.18 0.03 0.02 0.00 0.00 177.57 177.63 2jgi h ARG 364 N 0.97 0.00 0.00 1.57 2.47 -1.47 0.17 114.38 118.09 2jgi h ARG 364 Ca 0.28 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.92 2jgi h ARG 364 Cb -0.06 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2jgi h ARG 364 CO -0.07 0.18 -0.47 0.82 0.56 0.00 0.00 179.97 180.99 2jgi h ILE 365 N 0.00 1.32 -0.54 2.04 2.04 -1.17 -3.30 117.51 117.90 2jgi h ILE 365 Ca -0.00 -2.16 -0.04 0.00 1.00 0.00 0.00 64.86 63.66 2jgi h ILE 365 Cb 0.45 2.66 -0.03 0.00 -0.74 0.00 0.00 36.82 39.17 2jgi h ILE 365 CO 0.02 0.45 0.19 1.23 0.00 0.00 0.00 178.15 180.04 2jgi h GLY 366 N -1.00 0.84 -6.35 5.37 0.00 -0.22 -3.17 103.07 98.54 2jgi h GLY 366 Ca -0.13 -0.44 -0.61 0.00 0.00 0.00 0.00 47.33 46.16 2jgi h GLY 366 CO -0.08 0.41 -0.58 -0.62 0.00 0.00 0.00 176.54 175.68 2jgi n VAL 367 N -4.32 2.28 0.31 4.60 0.31 0.59 -4.83 118.33 117.27 2jgi n VAL 367 Ca 0.04 -5.17 0.17 0.00 -0.01 0.00 0.00 64.34 59.36 2jgi n VAL 367 Cb 0.18 -2.12 0.72 0.00 -0.91 0.00 0.00 33.84 31.71 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 4.39 0.00 0.00 5.55 0.13 -1.63 -0.59 132.00 139.86 2jgi h PRO 368 Ca 0.19 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.27 2jgi h PRO 368 Cb 0.68 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 2jgi h PRO 368 CO 0.82 0.00 -0.24 1.96 -0.23 0.00 0.00 178.00 180.31 2jgi h GLN 369 N 0.00 0.00 -6.56 0.86 7.50 -1.91 -3.46 115.11 111.55 2jgi h GLN 369 Ca 0.00 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.62 2jgi h GLN 369 Cb 0.37 0.00 0.03 0.00 0.05 0.00 0.00 27.48 27.93 2jgi h GLN 369 CO 0.00 0.24 0.78 0.00 -1.50 0.00 0.00 178.83 178.35 2jgi s ALA 370 N -3.58 3.65 1.07 3.87 0.00 -0.23 -5.04 121.76 121.50 2jgi s ALA 370 Ca 0.01 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 53.00 2jgi s ALA 370 Cb 0.10 -3.57 0.23 0.00 0.00 0.00 0.00 23.12 19.88 2jgi s ALA 370 CO 0.65 -0.68 1.15 -1.54 0.00 0.00 0.00 175.76 175.34 2jgi s SER 371 N 1.16 2.09 0.12 0.00 1.04 -1.26 -4.71 113.70 112.14 2jgi s SER 371 Ca 0.66 0.70 -0.25 0.00 0.48 0.00 0.00 55.95 57.54 2jgi s SER 371 Cb -0.39 -1.03 -0.07 0.00 0.10 0.00 0.00 66.02 64.63 2jgi s SER 371 CO 0.30 -3.40 1.66 0.44 0.98 0.00 0.00 173.24 173.22 2jgi h ASP 372 N -2.09 -0.58 -0.66 7.02 3.32 -1.99 0.64 116.42 122.09 2jgi h ASP 372 Ca -0.47 0.08 0.03 0.00 0.02 0.00 0.00 57.03 56.69 2jgi h ASP 372 Cb 1.30 0.23 -0.04 0.00 0.22 0.00 0.00 39.33 41.04 2jgi h ASP 372 CO 0.44 -0.27 0.41 0.25 -1.72 0.00 0.00 179.24 178.35 2jgi h LEU 373 N -0.34 0.67 0.04 1.55 5.85 -1.98 0.30 115.31 121.40 2jgi h LEU 373 Ca 0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2jgi h LEU 373 Cb 0.40 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2jgi h LEU 373 CO -0.17 0.46 -0.02 0.00 -0.34 0.00 0.00 178.44 178.38 2jgi h ALA 374 N 1.29 -0.05 -0.79 1.25 0.00 -1.81 0.08 119.26 119.22 2jgi h ALA 374 Ca 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2jgi h ALA 374 Cb 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2jgi h ALA 374 CO -0.11 -0.52 0.49 0.00 0.00 0.00 0.00 179.25 179.11 2jgi h ALA 375 N 0.91 1.37 -0.22 0.00 0.00 -0.52 -0.93 119.26 119.86 2jgi h ALA 375 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2jgi h ALA 375 Cb 0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 2jgi h ALA 375 CO 0.01 0.55 -0.14 1.49 0.00 0.00 0.00 179.25 181.16 2jgi h GLU 376 N 1.09 -0.13 -0.29 0.00 4.57 0.07 -0.79 114.58 119.10 2jgi h GLU 376 Ca 0.29 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.51 2jgi h GLU 376 Cb -0.07 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 2jgi h GLU 376 CO -0.06 -0.09 0.06 0.00 -1.18 0.00 0.00 179.01 177.75 2jgi h ALA 377 N 1.01 0.30 -0.52 2.92 0.00 0.23 0.17 119.26 123.38 2jgi h ALA 377 Ca 0.12 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2jgi h ALA 377 Cb 0.32 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2jgi h ALA 377 CO -0.30 -0.35 0.23 0.28 0.00 0.00 0.00 179.25 179.11 2jgi h VAL 378 N 0.17 0.89 -0.66 0.00 2.07 -0.83 0.24 116.25 118.13 2jgi h VAL 378 Ca 0.13 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 2jgi h VAL 378 Cb 0.14 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2jgi h VAL 378 CO -0.17 0.08 0.13 0.58 0.02 0.00 0.00 177.57 178.20 2jgi h VAL 379 N 0.44 1.26 -0.79 2.57 2.07 -0.63 -1.33 116.25 119.84 2jgi h VAL 379 Ca 0.24 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2jgi h VAL 379 Cb 0.21 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2jgi h VAL 379 CO -0.20 0.38 0.35 -0.07 0.02 0.00 0.00 177.57 178.04 2jgi h LEU 380 N 1.01 1.05 -0.22 2.57 -0.00 0.84 -1.47 115.31 119.10 2jgi h LEU 380 Ca 0.20 -0.14 -0.16 0.00 -0.00 0.00 0.00 57.88 57.78 2jgi h LEU 380 Cb 0.42 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 2jgi h LEU 380 CO 0.01 0.91 -0.49 -0.74 -0.00 0.00 0.00 178.44 178.12 2jgi h HIS 381 N 1.13 0.91 -0.00 1.13 2.76 -0.42 -3.33 115.15 117.34 2jgi h HIS 381 Ca 0.27 -0.34 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2jgi h HIS 381 Cb 0.16 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2jgi h HIS 381 CO 0.02 1.13 -0.50 0.66 -1.30 0.00 0.00 177.93 177.95 2jgi n TYR 382 N -4.14 0.00 -2.48 5.26 4.02 -0.52 -4.84 117.16 114.47 2jgi n TYR 382 Ca -0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.42 2jgi n TYR 382 Cb 0.59 -0.24 -0.04 0.00 -0.02 0.00 0.00 39.34 39.63 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 -2.98 3.75 -0.56 -0.72 2.01 -0.57 -4.90 115.64 111.67 2jgi s THR 383 Ca 0.12 1.53 -0.23 0.00 0.31 0.00 0.00 61.69 63.42 2jgi s THR 383 Cb 0.18 -3.98 0.05 0.00 0.01 0.00 0.00 72.50 68.76 2jgi s THR 383 CO 0.69 0.27 0.91 -0.62 -0.69 0.00 0.00 174.62 175.18 2jgi s ASP 384 N -0.16 6.29 0.00 3.53 -1.08 -1.26 -4.91 116.67 119.09 2jgi s ASP 384 Ca 0.49 -0.54 0.19 0.00 -0.52 0.00 0.00 52.55 52.18 2jgi s ASP 384 Cb -0.30 -2.41 0.84 0.00 -1.46 0.00 0.00 42.92 39.58 2jgi s ASP 384 CO 0.36 -1.22 1.61 0.79 0.52 0.00 0.00 175.17 177.23 2jgi n TRP 385 N 7.35 0.00 0.11 -5.34 7.02 -1.26 -1.16 117.44 124.16 2jgi n TRP 385 Ca -0.00 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.29 2jgi n TRP 385 Cb 0.47 -0.47 -0.15 0.00 -2.42 0.00 0.00 31.31 28.75 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 0.57 -6.11 -0.99 5.85 -2.04 -3.37 115.31 109.22 2jgi h LEU 386 Ca 0.00 -0.63 -0.58 0.00 0.84 0.00 0.00 57.88 57.52 2jgi h LEU 386 Cb 0.30 -0.18 -0.40 0.00 0.37 0.00 0.00 40.66 40.75 2jgi h LEU 386 CO 0.00 1.49 -0.86 1.41 -0.34 0.00 0.00 178.44 180.14 2jgi n HIS 387 N -3.59 1.51 0.35 1.25 -0.00 -0.75 -4.97 115.22 109.03 2jgi n HIS 387 Ca -0.12 -3.84 0.12 0.00 -0.00 0.00 0.00 57.72 53.88 2jgi n HIS 387 Cb 1.05 -0.44 0.52 0.00 -0.00 0.00 0.00 29.99 31.13 2jgi n HIS 387 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2jgi n PRO 388 N 1.18 0.20 -0.01 -0.41 -0.04 -0.31 -3.10 135.00 132.51 2jgi n PRO 388 Ca 0.25 0.47 0.08 0.00 -0.04 0.00 0.00 63.50 64.26 2jgi n PRO 388 Cb 0.47 -1.91 -0.11 0.00 -0.04 0.00 0.00 33.50 31.91 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 -2.29 0.74 -1.64 0.54 -0.58 -1.26 -4.89 120.64 111.26 2jgi n GLU 389 Ca 0.01 -0.12 -0.42 0.00 -0.42 0.00 0.00 57.16 56.21 2jgi n GLU 389 Cb 0.20 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.70 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 -3.54 5.95 0.60 1.62 2.15 -1.18 -4.67 116.67 117.60 2jgi s ASP 390 Ca -0.04 2.29 0.30 0.00 0.43 0.00 0.00 52.55 55.53 2jgi s ASP 390 Cb 0.10 -2.52 1.82 0.00 -0.30 0.00 0.00 42.92 42.02 2jgi s ASP 390 CO 0.64 -1.50 2.22 1.55 -0.17 0.00 0.00 175.17 177.91 2jgi h PRO 391 N 12.81 0.00 -0.18 4.34 0.13 -1.93 -2.25 132.00 144.93 2jgi h PRO 391 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 2jgi h PRO 391 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2jgi h PRO 391 CO 0.95 0.00 -0.12 1.15 -0.23 0.00 0.00 178.00 179.75 2jgi h THR 392 N 0.00 1.32 -0.19 1.56 2.02 -1.89 -1.83 112.91 113.90 2jgi h THR 392 Ca 0.02 -1.21 -0.09 0.00 0.77 0.00 0.00 66.41 65.90 2jgi h THR 392 Cb 0.12 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2jgi h THR 392 CO -0.00 0.36 -0.26 0.45 0.37 0.00 0.00 175.52 176.44 2jgi h HIS 393 N 0.07 0.41 0.01 3.16 3.86 -1.77 -1.73 115.15 119.15 2jgi h HIS 393 Ca 0.04 -0.08 -0.23 0.00 -1.16 0.00 0.00 60.37 58.94 2jgi h HIS 393 Cb 0.62 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.99 2jgi h HIS 393 CO 0.07 0.60 -0.96 -0.07 0.86 0.00 0.00 177.93 178.43 2jgi h LEU 394 N 0.33 0.51 0.32 2.43 3.38 -1.46 0.65 115.31 121.47 2jgi h LEU 394 Ca 0.05 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2jgi h LEU 394 Cb 0.64 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2jgi h LEU 394 CO 0.05 1.22 -0.16 -0.09 0.09 0.00 0.00 178.44 179.56 2jgi h ARG 395 N 0.21 -0.42 -1.21 1.13 1.12 -1.25 -1.53 114.38 112.43 2jgi h ARG 395 Ca -0.08 0.03 0.35 0.00 -1.11 0.00 0.00 59.98 59.16 2jgi h ARG 395 Cb 1.60 0.10 -0.08 0.00 -0.01 0.00 0.00 29.97 31.58 2jgi h ARG 395 CO 0.16 -0.28 0.82 -0.44 -3.11 0.00 0.00 179.97 177.13 2jgi h ASP 396 N -0.47 0.20 0.32 -3.80 3.32 -1.37 -0.96 116.42 113.66 2jgi h ASP 396 Ca -0.04 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2jgi h ASP 396 Cb 0.33 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2jgi h ASP 396 CO 0.07 -0.00 -0.15 0.00 -1.72 0.00 0.00 179.24 177.44 2jgi h ALA 397 N 1.49 -0.42 -0.66 3.45 0.00 -0.82 -2.16 119.26 120.14 2jgi h ALA 397 Ca 0.64 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.50 2jgi h ALA 397 Cb 2.15 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 19.98 2jgi h ALA 397 CO -0.18 -0.52 -0.08 1.98 0.00 0.00 0.00 179.25 180.44 2jgi h MET 398 N -0.85 0.05 -0.94 0.00 1.85 -0.13 0.77 114.93 115.68 2jgi h MET 398 Ca -0.04 -0.00 0.16 0.00 -0.61 0.00 0.00 59.70 59.20 2jgi h MET 398 Cb 0.52 -0.01 -0.10 0.00 0.43 0.00 0.00 31.60 32.44 2jgi h MET 398 CO 0.07 0.03 0.54 1.03 -0.40 0.00 0.00 176.91 178.19 2jgi h SER 399 N 0.05 0.71 -0.13 1.39 0.87 -1.36 -2.45 113.55 112.63 2jgi h SER 399 Ca 0.33 0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.88 2jgi h SER 399 Cb 0.54 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2jgi h SER 399 CO -0.63 0.30 -0.31 0.00 -0.53 0.00 0.00 176.83 175.67 2jgi h ALA 400 N 1.59 0.22 -0.64 6.23 0.00 0.11 -1.33 119.26 125.43 2jgi h ALA 400 Ca 0.51 -0.42 0.13 0.00 0.00 0.00 0.00 54.91 55.14 2jgi h ALA 400 Cb 0.71 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 2jgi h ALA 400 CO -0.35 0.25 0.12 0.28 0.00 0.00 0.00 179.25 179.54 2jgi h VAL 401 N 0.05 0.57 0.08 0.00 2.07 -0.19 0.19 116.25 119.02 2jgi h VAL 401 Ca 0.00 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2jgi h VAL 401 Cb 0.91 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2jgi h VAL 401 CO 0.07 0.04 -0.04 0.58 0.02 0.00 0.00 177.57 178.24 2jgi h VAL 402 N 0.23 1.19 -0.29 2.57 2.07 -1.41 -1.53 116.25 119.09 2jgi h VAL 402 Ca 0.34 -1.32 0.06 0.00 0.82 0.00 0.00 66.70 66.61 2jgi h VAL 402 Cb 0.55 2.00 -0.08 0.00 -1.52 0.00 0.00 31.29 32.23 2jgi h VAL 402 CO -0.46 0.31 -0.35 1.23 0.02 0.00 0.00 177.57 178.32 2jgi h GLY 403 N -0.74 -0.39 0.89 2.17 0.00 -0.95 -1.78 103.07 102.26 2jgi h GLY 403 Ca -0.01 0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 2jgi h GLY 403 CO 0.02 -0.21 -0.08 -0.55 0.00 0.00 0.00 176.54 175.72 2jgi h ASP 404 N -0.33 -0.19 -0.86 0.19 3.32 -0.68 0.38 116.42 118.26 2jgi h ASP 404 Ca 0.13 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.13 2jgi h ASP 404 Cb 0.56 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 2jgi h ASP 404 CO -0.47 -0.03 0.56 -0.74 -1.72 0.00 0.00 179.24 176.84 2jgi h HIS 405 N -0.33 1.04 0.00 4.55 2.76 -1.18 -0.45 115.15 121.53 2jgi h HIS 405 Ca -0.02 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.00 2jgi h HIS 405 Cb 0.26 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 2jgi h HIS 405 CO -0.03 0.61 -2.03 0.09 -1.30 0.00 0.00 177.93 175.27 2jgi n ASN 406 N -4.44 0.16 0.03 3.26 3.02 -0.68 -4.54 115.26 112.08 2jgi n ASN 406 Ca 0.11 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2jgi n ASN 406 Cb 0.09 1.26 0.00 0.00 -0.61 0.00 0.00 39.78 40.52 2jgi n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jgi n VAL 407 N -2.57 0.14 -0.08 2.41 0.31 0.13 -4.76 118.33 113.91 2jgi n VAL 407 Ca -0.16 0.05 -0.07 0.00 -0.01 0.00 0.00 64.34 64.14 2jgi n VAL 407 Cb 0.85 -0.56 -0.01 0.00 -0.91 0.00 0.00 33.84 33.21 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 0.34 0.10 2.52 2.07 -1.32 0.17 116.25 120.13 2jgi h VAL 408 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2jgi h VAL 408 Cb 0.00 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2jgi h VAL 408 CO 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.54 2jgi h PRO 410 N -0.59 0.20 0.02 0.00 0.11 -1.66 0.48 132.00 130.56 2jgi h PRO 410 Ca -0.01 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2jgi h PRO 410 Cb 0.47 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2jgi h PRO 410 CO 0.02 0.13 -0.01 0.28 -0.21 0.00 0.00 178.00 178.22 2jgi h VAL 411 N 0.20 1.20 -0.58 3.15 2.07 -0.11 -0.27 116.25 121.92 2jgi h VAL 411 Ca 0.72 -0.69 0.12 0.00 0.82 0.00 0.00 66.70 67.67 2jgi h VAL 411 Cb 1.68 1.67 -0.09 0.00 -1.52 0.00 0.00 31.29 33.03 2jgi h VAL 411 CO -0.68 0.18 0.04 0.00 0.02 0.00 0.00 177.57 177.13 2jgi h ALA 412 N 0.65 0.60 -0.12 1.67 0.00 0.31 0.16 119.26 122.53 2jgi h ALA 412 Ca -0.00 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jgi h ALA 412 Cb 0.31 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2jgi h ALA 412 CO 0.00 -0.37 0.06 0.37 0.00 0.00 0.00 179.25 179.31 2jgi h GLN 413 N 0.15 0.18 0.67 0.00 5.75 0.07 -1.07 115.11 120.86 2jgi h GLN 413 Ca 0.30 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.74 2jgi h GLN 413 Cb 0.47 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 29.00 2jgi h GLN 413 CO -0.47 0.24 -0.33 1.25 -2.65 0.00 0.00 178.83 176.88 2jgi h LEU 414 N 0.07 -0.78 -1.35 -2.39 5.85 -0.41 -1.84 115.31 114.46 2jgi h LEU 414 Ca 0.04 0.03 0.21 0.00 0.84 0.00 0.00 57.88 59.00 2jgi h LEU 414 Cb 0.12 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 2jgi h LEU 414 CO -0.01 -0.55 0.61 0.00 -0.34 0.00 0.00 178.44 178.16 2jgi h ALA 415 N -0.57 2.06 0.87 1.25 0.00 -0.68 -0.98 119.26 121.20 2jgi h ALA 415 Ca -0.09 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2jgi h ALA 415 Cb 0.70 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2jgi h ALA 415 CO 0.15 -0.38 -0.42 0.78 0.00 0.00 0.00 179.25 179.38 2jgi h GLY 416 N 0.52 -1.22 1.15 0.00 0.00 -0.83 -2.68 103.07 100.01 2jgi h GLY 416 Ca 0.51 0.45 0.01 0.00 0.00 0.00 0.00 47.33 48.30 2jgi h GLY 416 CO -0.24 -0.44 0.56 3.21 0.00 0.00 0.00 176.54 179.62 2jgi h ARG 417 N -1.26 1.14 -0.74 4.80 2.47 -0.50 -1.46 114.38 118.84 2jgi h ARG 417 Ca -0.12 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 58.46 2jgi h ARG 417 Cb 0.90 -0.25 -0.03 0.00 -1.65 0.00 0.00 29.97 28.94 2jgi h ARG 417 CO 0.20 0.76 0.22 -0.07 0.56 0.00 0.00 179.97 181.64 2jgi h LEU 418 N 1.17 1.09 -0.22 3.04 3.38 -1.24 -0.20 115.31 122.34 2jgi h LEU 418 Ca 0.31 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2jgi h LEU 418 Cb -0.12 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.34 2jgi h LEU 418 CO -0.07 1.02 -0.19 0.00 0.09 0.00 0.00 178.44 179.29 2jgi h ALA 419 N 1.11 0.32 -0.96 1.53 0.00 -1.15 0.11 119.26 120.22 2jgi h ALA 419 Ca 0.24 -0.35 0.16 0.00 0.00 0.00 0.00 54.91 54.96 2jgi h ALA 419 Cb 0.33 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 2jgi h ALA 419 CO -0.00 0.24 0.57 0.00 0.00 0.00 0.00 179.25 180.06 2jgi h ALA 420 N 0.67 1.54 -0.85 0.00 0.00 -1.00 -2.71 119.26 116.91 2jgi h ALA 420 Ca 0.04 0.07 -0.47 0.00 0.00 0.00 0.00 54.91 54.55 2jgi h ALA 420 Cb 0.73 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.16 2jgi h ALA 420 CO 0.05 -0.00 0.48 1.04 0.00 0.00 0.00 179.25 180.82 2jgi n GLN 421 N -4.77 2.25 -0.40 0.00 6.02 -0.11 -4.92 117.38 115.47 2jgi n GLN 421 Ca 0.21 -3.12 0.00 0.00 -0.01 0.00 0.00 57.00 54.08 2jgi n GLN 421 Cb 0.49 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.64 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 -1.10 1.35 3.76 1.08 0.00 -1.02 -2.29 105.19 106.96 2jgi n GLY 422 Ca 0.54 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.08 2.27 -0.29 4.61 0.00 0.36 -4.31 121.76 121.31 2jgi s ALA 423 Ca 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.31 2jgi s ALA 423 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2jgi s ALA 423 CO 0.00 -1.66 0.15 0.50 0.00 0.00 0.00 175.76 174.75 2jgi s ARG 424 N -4.49 3.55 -0.09 0.00 3.52 0.11 -4.32 118.95 117.23 2jgi s ARG 424 Ca 0.65 -0.57 0.04 0.00 -0.13 0.00 0.00 55.73 55.72 2jgi s ARG 424 Cb -0.20 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 2jgi s ARG 424 CO 0.50 -0.32 -0.22 0.08 -0.81 0.00 0.00 175.30 174.53 2jgi s VAL 425 N 1.66 2.25 -0.06 7.11 1.01 -1.26 -0.28 120.40 130.83 2jgi s VAL 425 Ca 0.06 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.12 2jgi s VAL 425 Cb -0.16 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 2jgi s VAL 425 CO 0.07 0.56 -0.21 -0.31 0.00 0.00 0.00 175.10 175.21 2jgi s TYR 426 N 0.11 2.53 0.12 5.22 1.51 0.42 0.55 117.35 127.81 2jgi s TYR 426 Ca -0.11 -0.50 0.09 0.00 -1.01 0.00 0.00 57.07 55.54 2jgi s TYR 426 Cb -0.16 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 2jgi s TYR 426 CO 0.06 -0.07 -0.21 0.00 -1.11 0.00 0.00 175.55 174.22 2jgi s ALA 427 N -0.35 1.92 0.03 3.71 0.00 -1.25 0.03 121.76 125.85 2jgi s ALA 427 Ca 0.03 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 2jgi s ALA 427 Cb -0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 2jgi s ALA 427 CO 0.02 0.37 0.01 1.52 0.00 0.00 0.00 175.76 177.68 2jgi s TYR 428 N -1.27 0.31 -0.12 0.00 -0.85 -0.61 -1.47 117.35 113.33 2jgi s TYR 428 Ca 0.09 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 55.99 2jgi s TYR 428 Cb -0.09 -0.23 -0.01 0.00 0.38 0.00 0.00 41.96 42.00 2jgi s TYR 428 CO 0.05 -0.30 -0.14 -1.50 -1.52 0.00 0.00 175.55 172.14 2jgi s ILE 429 N -2.47 2.96 -0.32 -3.49 2.07 0.65 -2.02 121.20 118.58 2jgi s ILE 429 Ca -0.06 -0.70 -0.16 0.00 -1.41 0.00 0.00 60.65 58.32 2jgi s ILE 429 Cb -0.02 -2.23 -0.02 0.00 0.13 0.00 0.00 42.46 40.32 2jgi s ILE 429 CO -0.04 0.53 0.41 0.12 -1.91 0.00 0.00 174.94 174.05 2jgi s PHE 430 N 0.28 3.22 -0.22 3.50 2.19 0.20 -1.02 117.98 126.12 2jgi s PHE 430 Ca -0.10 0.20 0.05 0.00 0.33 0.00 0.00 56.93 57.41 2jgi s PHE 430 Cb -0.16 -2.71 -0.06 0.00 -1.31 0.00 0.00 43.02 38.78 2jgi s PHE 430 CO 0.06 -0.39 0.22 0.39 1.83 0.00 0.00 175.22 177.33 2jgi n GLU 431 N 5.47 4.45 -2.82 10.12 1.02 0.15 0.16 120.64 139.18 2jgi n GLU 431 Ca -0.08 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.64 2jgi n GLU 431 Cb 0.50 -0.81 -0.04 0.00 -0.02 0.00 0.00 31.44 31.07 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 -1.65 3.29 -0.09 -0.32 2.46 -1.24 -4.87 115.29 112.87 2jgi s HIS 432 Ca 0.01 1.17 -0.28 0.00 0.47 0.00 0.00 55.06 56.44 2jgi s HIS 432 Cb 0.04 -3.18 -0.02 0.00 -0.13 0.00 0.00 32.58 29.29 2jgi s HIS 432 CO 0.23 -0.48 0.91 0.50 -2.47 0.00 0.00 174.74 173.43 2jgi s ARG 433 N 3.02 4.42 0.33 2.88 3.52 -1.26 -4.97 118.95 126.89 2jgi s ARG 433 Ca 0.38 1.22 -0.29 0.00 -0.13 0.00 0.00 55.73 56.90 2jgi s ARG 433 Cb -0.15 -3.52 -0.11 0.00 -1.56 0.00 0.00 34.95 29.61 2jgi s ARG 433 CO 0.08 -0.20 1.57 0.00 -0.81 0.00 0.00 175.30 175.95 2jgi s ALA 434 N 1.63 3.69 0.27 6.12 0.00 -1.26 -4.91 121.76 127.30 2jgi s ALA 434 Ca 0.45 1.59 0.01 0.00 0.00 0.00 0.00 51.96 54.02 2jgi s ALA 434 Cb -0.18 -3.64 0.37 0.00 0.00 0.00 0.00 23.12 19.67 2jgi s ALA 434 CO 0.19 -1.03 1.71 0.66 0.00 0.00 0.00 175.76 177.28 2jgi h SER 435 N 4.18 0.54 0.00 0.00 4.64 -1.96 -2.71 113.55 118.24 2jgi h SER 435 Ca -0.48 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 2jgi h SER 435 Cb 1.23 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2jgi h SER 435 CO 0.74 0.77 0.00 0.35 -0.87 0.00 0.00 176.83 177.82 2jgi n THR 436 N -4.12 0.00 -2.20 2.95 -2.24 -1.26 -4.93 114.28 102.47 2jgi n THR 436 Ca -0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2jgi n THR 436 Cb 0.41 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 2jgi n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jgi s LEU 437 N -1.39 4.38 0.00 3.22 2.96 -1.02 -4.92 118.68 121.90 2jgi s LEU 437 Ca 0.16 2.31 0.25 0.00 -0.22 0.00 0.00 54.13 56.64 2jgi s LEU 437 Cb 0.07 -3.59 0.53 0.00 0.50 0.00 0.00 46.19 43.70 2jgi s LEU 437 CO 0.13 -0.61 1.44 0.35 -1.32 0.00 0.00 176.35 176.33 2jgi n THR 438 N 3.68 0.00 -2.36 3.68 -2.24 -1.26 -4.92 114.28 110.86 2jgi n THR 438 Ca 0.10 -0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.30 2jgi n THR 438 Cb 0.43 0.92 0.02 0.00 -2.10 0.00 0.00 70.33 69.60 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 -2.20 3.45 0.78 4.78 0.52 -1.26 -4.83 118.94 120.19 2jgi s TRP 439 Ca 0.28 0.85 -0.10 0.00 0.02 0.00 0.00 56.10 57.15 2jgi s TRP 439 Cb 0.20 -2.59 0.06 0.00 -1.15 0.00 0.00 33.47 30.00 2jgi s TRP 439 CO 0.41 -0.61 1.10 -1.25 0.02 0.00 0.00 176.95 176.61 2jgi s PRO 440 N -4.95 2.15 0.38 4.98 0.04 -1.26 -4.91 135.00 131.43 2jgi s PRO 440 Ca 0.52 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.82 2jgi s PRO 440 Cb -0.11 -1.88 0.81 0.00 0.04 0.00 0.00 34.50 33.36 2jgi s PRO 440 CO 0.47 -1.72 1.98 -0.07 0.04 0.00 0.00 177.00 177.70 2jgi h LEU 441 N -1.19 0.58 -1.25 -3.56 3.38 -1.94 -2.49 115.31 108.84 2jgi h LEU 441 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2jgi h LEU 441 Cb 1.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2jgi h LEU 441 CO 0.51 0.38 0.00 4.11 0.09 0.00 0.00 178.44 183.53 2jgi h TRP 442 N 0.67 0.00 0.00 1.13 5.08 -1.93 -0.71 115.95 120.19 2jgi h TRP 442 Ca 0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.25 2jgi h TRP 442 Cb 0.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.41 2jgi h TRP 442 CO -0.00 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.83 2jgi n MET 443 N -2.47 0.09 0.00 0.12 2.81 -0.94 -4.98 117.12 111.75 2jgi n MET 443 Ca 0.00 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2jgi n MET 443 Cb 0.18 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 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 1.32 3.68 3.15 3.03 0.00 -0.27 -3.64 105.19 112.46 2jgi n GLY 444 Ca 0.08 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 3.91 0.59 1.61 1.01 -1.26 -4.83 120.40 121.42 2jgi s VAL 445 Ca 0.00 -2.40 -0.14 0.00 0.00 0.00 0.00 61.98 59.44 2jgi s VAL 445 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2jgi s VAL 445 CO 0.00 -0.82 1.03 -2.84 0.00 0.00 0.00 175.10 172.47 2jgi s PRO 446 N 0.61 3.53 -0.09 2.72 0.02 -1.24 -1.60 135.00 138.96 2jgi s PRO 446 Ca 0.12 0.98 -0.38 0.00 0.02 0.00 0.00 61.00 61.74 2jgi s PRO 446 Cb -0.21 -2.07 -0.16 0.00 0.02 0.00 0.00 34.50 32.07 2jgi s PRO 446 CO -0.03 -0.62 1.54 1.58 -0.33 0.00 0.00 177.00 179.14 2jgi n HIS 447 N -2.22 1.79 0.00 6.54 -0.00 -1.25 -2.04 115.22 118.05 2jgi n HIS 447 Ca 0.07 0.57 0.00 0.00 -0.00 0.00 0.00 57.72 58.36 2jgi n HIS 447 Cb 0.54 -2.40 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 3.35 2.63 1.39 1.57 0.00 -1.26 -4.96 105.19 107.91 2jgi n GLY 448 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.80 1.30 -0.03 1.61 4.02 -0.87 -3.02 117.16 119.38 2jgi n TYR 449 Ca 0.00 -0.67 0.04 0.00 -0.01 0.00 0.00 57.90 57.27 2jgi n TYR 449 Cb 0.00 -0.42 -0.14 0.00 -0.02 0.00 0.00 39.34 38.76 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 0.10 0.74 -0.18 -0.72 0.00 -1.26 -4.63 120.64 114.69 2jgi n GLU 450 Ca 0.21 -0.12 -0.07 0.00 0.00 0.00 0.00 57.16 57.18 2jgi n GLU 450 Cb 0.89 -1.42 0.02 0.00 0.00 0.00 0.00 31.44 30.92 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 1.14 -0.69 3.84 2.04 -1.92 -1.04 117.51 120.89 2jgi h ILE 451 Ca -0.12 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.52 2jgi h ILE 451 Cb 1.14 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 2jgi h ILE 451 CO 0.01 0.14 0.45 1.05 0.00 0.00 0.00 178.15 179.80 2jgi h GLU 452 N 0.70 0.71 -0.06 2.37 4.11 -1.79 0.35 114.58 120.98 2jgi h GLU 452 Ca 0.19 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.51 2jgi h GLU 452 Cb -0.06 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.03 2jgi h GLU 452 CO -0.04 0.47 -0.21 0.74 0.07 0.00 0.00 179.01 180.05 2jgi h PHE 453 N 0.73 0.32 -0.91 2.06 0.04 -1.66 -0.85 116.94 116.67 2jgi h PHE 453 Ca 0.29 -0.13 0.06 0.00 2.80 0.00 0.00 57.97 60.99 2jgi h PHE 453 Cb 0.22 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 38.26 2jgi h PHE 453 CO -0.00 0.83 0.58 0.82 -0.60 0.00 0.00 178.31 179.94 2jgi h ILE 454 N -0.29 1.07 0.00 -0.55 1.08 -0.50 -1.69 117.51 116.63 2jgi h ILE 454 Ca -0.01 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2jgi h ILE 454 Cb 0.84 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 2jgi h ILE 454 CO 0.04 0.19 0.00 -0.26 -0.69 0.00 0.00 178.15 177.44 2jgi h PHE 455 N 1.06 0.00 -0.10 1.37 -1.00 -1.00 -3.39 116.94 113.87 2jgi h PHE 455 Ca 0.39 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.17 2jgi h PHE 455 Cb 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 2jgi h PHE 455 CO -0.02 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.09 2jgi n GLY 456 N 0.74 1.23 0.22 -1.45 0.00 -0.64 -3.92 105.19 101.37 2jgi n GLY 456 Ca 0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 0.69 -2.07 0.99 3.38 -1.38 -2.99 115.31 113.93 2jgi h LEU 457 Ca 0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2jgi h LEU 457 Cb 0.42 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2jgi h LEU 457 CO 0.00 1.10 0.19 -0.65 0.09 0.00 0.00 178.44 179.17 2jgi h PRO 458 N 0.47 0.00 0.00 1.13 0.11 -1.90 -1.34 132.00 130.47 2jgi h PRO 458 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2jgi h PRO 458 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2jgi h PRO 458 CO 0.11 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.18 2jgi n LEU 459 N -2.75 0.34 -4.46 2.35 4.77 -1.13 -4.42 117.00 111.70 2jgi n LEU 459 Ca -0.02 0.61 -0.44 0.00 -0.03 0.00 0.00 56.01 56.13 2jgi n LEU 459 Cb 0.24 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 2jgi n LEU 459 CO 0.14 -0.53 0.38 -0.62 -1.33 0.00 0.00 177.39 175.43 2jgi s ASP 460 N -3.63 6.24 0.46 -1.43 2.15 -0.51 -4.77 116.67 115.19 2jgi s ASP 460 Ca 0.03 -0.79 0.14 0.00 0.43 0.00 0.00 52.55 52.35 2jgi s ASP 460 Cb 0.07 -2.31 1.06 0.00 -0.30 0.00 0.00 42.92 41.44 2jgi s ASP 460 CO 0.25 -0.92 2.04 -0.65 -0.17 0.00 0.00 175.17 175.73 2jgi h PRO 461 N 9.02 0.07 0.00 4.34 0.11 -1.88 -0.42 132.00 143.24 2jgi h PRO 461 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2jgi h PRO 461 Cb 1.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jgi h PRO 461 CO 0.97 0.15 0.03 -1.13 -0.21 0.00 0.00 178.00 177.81 2jgi n SER 462 N -4.41 0.00 -0.35 -2.05 3.41 -1.26 -1.63 113.62 107.34 2jgi n SER 462 Ca -0.02 0.39 0.11 0.00 -0.26 0.00 0.00 58.87 59.09 2jgi n SER 462 Cb 0.18 -0.39 0.03 0.00 -0.26 0.00 0.00 64.21 63.76 2jgi n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgi n LEU 463 N -1.39 1.64 -2.48 1.04 4.77 -0.17 -5.00 117.00 115.42 2jgi n LEU 463 Ca 0.00 -0.62 -0.18 0.00 -0.03 0.00 0.00 56.01 55.18 2jgi n LEU 463 Cb 0.03 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2jgi n LEU 463 CO 0.00 0.32 -0.02 0.59 -1.33 0.00 0.00 177.39 176.95 2jgi n ASN 464 N -0.46 -5.33 -4.76 -1.43 3.02 -0.64 -5.00 115.26 100.65 2jgi n ASN 464 Ca 0.08 -0.22 -0.39 0.00 -0.03 0.00 0.00 54.58 54.02 2jgi n ASN 464 Cb 0.42 -4.19 -0.06 0.00 -0.61 0.00 0.00 39.78 35.34 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 -3.05 3.92 0.51 3.10 2.02 -1.26 -4.80 117.35 117.79 2jgi s TYR 465 Ca 0.23 1.79 -0.22 0.00 -0.37 0.00 0.00 57.07 58.50 2jgi s TYR 465 Cb -0.10 -2.89 -0.06 0.00 -0.40 0.00 0.00 41.96 38.51 2jgi s TYR 465 CO 0.28 0.45 1.28 0.95 -1.57 0.00 0.00 175.55 176.94 2jgi s THR 466 N -1.23 2.49 0.49 -0.71 -4.23 -1.26 -4.80 115.64 106.40 2jgi s THR 466 Ca 0.40 0.37 0.25 0.00 -1.18 0.00 0.00 61.69 61.53 2jgi s THR 466 Cb -0.24 -3.18 0.42 0.00 1.34 0.00 0.00 72.50 70.84 2jgi s THR 466 CO 0.29 -0.01 1.91 0.00 -0.54 0.00 0.00 174.62 176.27 2jgi h THR 467 N 1.58 0.66 -0.51 3.99 1.03 -1.96 0.15 112.91 117.84 2jgi h THR 467 Ca -0.50 -0.05 -0.10 0.00 -0.01 0.00 0.00 66.41 65.74 2jgi h THR 467 Cb 1.28 0.49 -0.02 0.00 -1.07 0.00 0.00 68.15 68.84 2jgi h THR 467 CO 0.58 0.03 -0.09 -0.33 -0.01 0.00 0.00 175.52 175.70 2jgi h GLU 468 N 0.15 0.95 -0.30 0.00 3.07 -2.01 -2.93 114.58 113.51 2jgi h GLU 468 Ca 0.39 -0.33 -0.08 0.00 -0.50 0.00 0.00 59.36 58.84 2jgi h GLU 468 Cb 1.30 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.13 2jgi h GLU 468 CO -0.06 0.99 -0.15 0.93 -1.40 0.00 0.00 179.01 179.32 2jgi h GLU 469 N 0.85 0.51 0.00 2.33 5.08 -1.07 -2.34 114.58 119.95 2jgi h GLU 469 Ca 0.14 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2jgi h GLU 469 Cb 0.63 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2jgi h GLU 469 CO 0.04 0.65 0.00 -0.09 -1.00 0.00 0.00 179.01 178.61 2jgi h ARG 470 N 0.47 0.00 0.09 2.33 1.12 -1.20 -0.89 114.38 116.31 2jgi h ARG 470 Ca 0.08 0.00 -0.37 0.00 -1.11 0.00 0.00 59.98 58.58 2jgi h ARG 470 Cb 0.53 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.46 2jgi h ARG 470 CO 0.03 0.00 -2.10 -0.89 -3.11 0.00 0.00 179.97 173.90 2jgi n ILE 471 N -2.78 1.71 -0.06 1.20 5.41 -1.00 -3.47 119.36 120.37 2jgi n ILE 471 Ca 0.01 -0.62 -0.09 0.00 1.00 0.00 0.00 62.75 63.04 2jgi n ILE 471 Cb 0.24 -1.67 -0.02 0.00 -0.71 0.00 0.00 39.64 37.48 2jgi n ILE 471 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 2jgi h PHE 472 N 0.03 0.20 -0.34 1.39 3.57 -1.19 -1.91 116.94 118.69 2jgi h PHE 472 Ca -0.46 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.11 2jgi h PHE 472 Cb 1.99 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 40.62 2jgi h PHE 472 CO 0.07 0.11 0.02 0.00 -2.23 0.00 0.00 178.31 176.28 2jgi h ALA 473 N 1.13 0.33 -0.96 2.41 0.00 -1.33 0.16 119.26 121.00 2jgi h ALA 473 Ca 0.10 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.25 2jgi h ALA 473 Cb 0.04 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 2jgi h ALA 473 CO -0.08 -0.38 0.58 1.96 0.00 0.00 0.00 179.25 181.32 2jgi h GLN 474 N 0.12 0.80 -0.12 0.00 4.20 -1.50 0.17 115.11 118.78 2jgi h GLN 474 Ca 0.17 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 2jgi h GLN 474 Cb 0.22 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 2jgi h GLN 474 CO -0.26 0.53 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.30 2jgi h ARG 475 N 0.82 0.24 -0.38 1.46 2.43 -0.35 -1.28 114.38 117.33 2jgi h ARG 475 Ca 0.52 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.61 2jgi h ARG 475 Cb 0.67 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 2jgi h ARG 475 CO -0.33 0.56 0.22 -0.07 -1.51 0.00 0.00 179.97 178.84 2jgi h LEU 476 N -0.10 0.35 -1.16 3.80 3.38 -0.26 0.47 115.31 121.79 2jgi h LEU 476 Ca 0.03 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.13 2jgi h LEU 476 Cb 0.48 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 2jgi h LEU 476 CO 0.01 0.25 0.60 0.24 0.09 0.00 0.00 178.44 179.63 2jgi h MET 477 N 0.44 0.81 0.00 1.13 2.86 -0.62 0.19 114.93 119.74 2jgi h MET 477 Ca 0.15 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.60 2jgi h MET 477 Cb 0.02 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 2jgi h MET 477 CO -0.08 0.53 -0.66 -0.22 1.06 0.00 0.00 176.91 177.55 2jgi h LYS 478 N 0.83 0.00 0.07 1.72 3.64 -0.05 -1.29 116.57 121.49 2jgi h LYS 478 Ca 0.47 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.84 2jgi h LYS 478 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2jgi h LYS 478 CO -0.23 0.66 -0.03 1.88 -2.27 0.00 0.00 179.45 179.45 2jgi h TYR 479 N 0.00 -0.09 -0.09 1.91 0.05 0.54 -1.71 116.97 117.59 2jgi h TYR 479 Ca -0.01 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2jgi h TYR 479 Cb 1.23 0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.99 2jgi h TYR 479 CO 0.00 0.26 0.04 -1.49 -1.05 0.00 0.00 178.16 175.92 2jgi h TRP 480 N -0.45 0.12 -0.11 4.88 -0.00 -0.94 0.14 115.95 119.59 2jgi h TRP 480 Ca -0.01 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.89 58.74 2jgi h TRP 480 Cb 0.39 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 29.50 2jgi h TRP 480 CO 0.04 0.19 -0.50 1.79 -0.00 0.00 0.00 178.44 179.96 2jgi h THR 481 N 0.02 1.34 -0.22 1.49 1.35 -1.35 0.41 112.91 115.95 2jgi h THR 481 Ca 0.03 -1.74 -0.01 0.00 -0.55 0.00 0.00 66.41 64.14 2jgi h THR 481 Cb 0.11 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 2jgi h THR 481 CO -0.00 0.52 0.11 0.78 -0.25 0.00 0.00 175.52 176.67 2jgi h ASN 482 N 0.24 0.28 -0.26 5.36 2.35 -1.11 0.43 115.58 122.88 2jgi h ASN 482 Ca 0.01 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2jgi h ASN 482 Cb 0.97 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.24 2jgi h ASN 482 CO 0.08 0.32 0.07 0.15 -1.65 0.00 0.00 177.43 176.40 2jgi h PHE 483 N 0.22 0.12 -0.71 1.19 3.57 -0.33 -1.53 116.94 119.49 2jgi h PHE 483 Ca 0.08 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.67 2jgi h PHE 483 Cb 0.11 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 2jgi h PHE 483 CO -0.03 0.05 0.37 0.00 -2.23 0.00 0.00 178.31 176.47 2jgi h ALA 484 N 1.18 0.97 -0.48 2.41 0.00 0.25 0.39 119.26 123.97 2jgi h ALA 484 Ca 0.12 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2jgi h ALA 484 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jgi h ALA 484 CO -0.14 0.01 -0.19 0.00 0.00 0.00 0.00 179.25 178.93 2jgi h ARG 485 N 0.66 0.98 0.00 0.00 3.08 0.38 -3.40 114.38 116.08 2jgi h ARG 485 Ca 0.33 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2jgi h ARG 485 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2jgi h ARG 485 CO -0.23 1.08 0.00 0.25 -1.07 0.00 0.00 179.97 180.00 2jgi n THR 486 N -4.14 0.00 -0.91 2.04 -2.24 -0.62 -5.00 114.28 103.40 2jgi n THR 486 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2jgi n THR 486 Cb 0.44 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.46 0.60 2.68 3.38 0.00 0.14 -5.02 105.19 107.42 2jgi n GLY 487 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.14 1.65 0.63 1.61 -1.08 -1.25 -4.86 116.67 111.22 2jgi s ASP 488 Ca 0.00 -0.23 0.41 0.00 -0.52 0.00 0.00 52.55 52.20 2jgi s ASP 488 Cb 0.00 -0.03 2.04 0.00 -1.46 0.00 0.00 42.92 43.47 2jgi s ASP 488 CO 0.00 -0.31 2.23 1.55 0.52 0.00 0.00 175.17 179.16 2jgi h PRO 489 N 8.40 0.00 -6.83 4.34 0.13 -1.80 -3.18 132.00 133.05 2jgi h PRO 489 Ca -0.14 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.47 2jgi h PRO 489 Cb 1.14 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.30 2jgi h PRO 489 CO 0.23 0.00 0.54 -0.80 -0.23 0.00 0.00 178.00 177.75 2jgi s ASN 490 N -5.36 7.07 -0.21 1.44 0.01 -1.26 -4.35 114.94 112.28 2jgi s ASN 490 Ca -0.03 2.44 -0.29 0.00 -0.71 0.00 0.00 52.86 54.27 2jgi s ASN 490 Cb 0.11 -2.64 -0.06 0.00 0.41 0.00 0.00 41.25 39.08 2jgi s ASN 490 CO 0.46 -0.30 2.21 -0.67 -1.51 0.00 0.00 177.10 177.29 2jgi n ASP 491 N 1.07 3.24 0.09 -1.22 -0.08 -1.26 -4.86 116.55 113.53 2jgi n ASP 491 Ca -0.01 0.26 0.11 0.00 -1.51 0.00 0.00 54.79 53.64 2jgi n ASP 491 Cb 0.44 -1.53 0.44 0.00 2.34 0.00 0.00 41.12 42.80 2jgi n ASP 491 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2jgi n PRO 492 N 8.64 0.14 0.00 -0.67 -0.04 -1.26 -3.12 135.00 138.70 2jgi n PRO 492 Ca 0.30 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 2jgi n PRO 492 Cb 0.43 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 2jgi n PRO 492 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jgi n ARG 493 N -2.04 0.65 -2.63 0.54 1.74 -1.26 -5.00 116.66 108.66 2jgi n ARG 493 Ca 0.03 -0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.66 2jgi n ARG 493 Cb 0.22 -0.18 -0.02 0.00 -1.02 0.00 0.00 32.46 31.46 2jgi n ARG 493 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2jgi s ASP 494 N -0.10 7.10 0.00 0.55 2.15 -1.18 -5.02 116.67 120.16 2jgi s ASP 494 Ca 0.00 1.44 0.00 0.00 0.43 0.00 0.00 52.55 54.42 2jgi s ASP 494 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2jgi s ASP 494 CO 0.00 -0.66 0.00 -0.24 -0.17 0.00 0.00 175.17 174.10 2jgi n SER 495 N 6.19 0.00 -4.20 -0.34 2.88 -1.26 -4.70 113.62 112.20 2jgi n SER 495 Ca 0.12 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.25 2jgi n SER 495 Cb 0.46 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.91 2jgi n SER 495 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2jgi n LYS 496 N 0.00 2.70 -3.85 -1.46 4.81 -1.26 -4.82 118.16 114.29 2jgi n LYS 496 Ca 0.00 -2.80 -0.32 0.00 -0.87 0.00 0.00 58.31 54.32 2jgi n LYS 496 Cb 0.00 -3.40 -0.04 0.00 0.02 0.00 0.00 35.03 31.61 2jgi n LYS 496 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2jgi s SER 497 N 4.26 6.41 0.29 3.14 1.04 -1.26 -5.09 113.70 122.49 2jgi s SER 497 Ca 0.54 0.39 -0.30 0.00 0.48 0.00 0.00 55.95 57.06 2jgi s SER 497 Cb 0.08 -2.01 -0.11 0.00 0.10 0.00 0.00 66.02 64.08 2jgi s SER 497 CO 0.04 0.18 1.53 -2.84 0.98 0.00 0.00 173.24 173.13 2jgi s PRO 498 N -2.32 4.16 0.36 4.02 0.02 -1.26 -4.91 135.00 135.07 2jgi s PRO 498 Ca 0.34 2.50 -0.25 0.00 0.02 0.00 0.00 61.00 63.61 2jgi s PRO 498 Cb -0.13 -3.04 -0.10 0.00 0.02 0.00 0.00 34.50 31.26 2jgi s PRO 498 CO 0.24 -0.55 0.97 -0.65 -0.33 0.00 0.00 177.00 176.68 2jgi s GLN 499 N -0.73 4.42 -0.52 5.54 -1.52 -1.26 -4.83 119.66 120.77 2jgi s GLN 499 Ca 0.60 1.35 -0.25 0.00 -1.95 0.00 0.00 55.36 55.11 2jgi s GLN 499 Cb -0.46 -2.64 0.03 0.00 -0.22 0.00 0.00 33.01 29.72 2jgi s GLN 499 CO 0.49 0.12 0.95 -0.46 -0.25 0.00 0.00 175.29 176.14 2jgi s TRP 500 N -1.71 2.83 0.33 0.91 -0.11 -1.26 -4.92 118.94 115.02 2jgi s TRP 500 Ca 0.54 0.16 -0.17 0.00 1.22 0.00 0.00 56.10 57.85 2jgi s TRP 500 Cb -0.18 -4.05 -0.09 0.00 -1.50 0.00 0.00 33.47 27.65 2jgi s TRP 500 CO 0.23 -1.26 0.79 -1.25 -4.62 0.00 0.00 176.95 170.84 2jgi s PRO 501 N 3.92 4.10 0.37 5.86 0.04 -1.26 -4.89 135.00 143.14 2jgi s PRO 501 Ca 0.34 0.81 -0.28 0.00 0.04 0.00 0.00 61.00 61.91 2jgi s PRO 501 Cb -0.11 -2.44 -0.10 0.00 0.04 0.00 0.00 34.50 31.89 2jgi s PRO 501 CO 0.22 0.15 1.37 -2.14 0.04 0.00 0.00 177.00 176.64 2jgi s PRO 502 N -2.88 4.13 0.08 0.56 0.02 -1.26 -4.69 135.00 130.95 2jgi s PRO 502 Ca 0.54 2.33 -0.31 0.00 0.02 0.00 0.00 61.00 63.58 2jgi s PRO 502 Cb -0.11 -2.93 -0.08 0.00 0.02 0.00 0.00 34.50 31.40 2jgi s PRO 502 CO 0.17 -0.42 1.59 -0.47 -0.33 0.00 0.00 177.00 177.54 2jgi s TYR 503 N -1.17 2.63 0.10 6.54 6.14 0.19 -4.58 117.35 127.21 2jgi s TYR 503 Ca 0.53 0.48 0.05 0.00 0.64 0.00 0.00 57.07 58.77 2jgi s TYR 503 Cb -0.42 -3.90 -0.03 0.00 0.42 0.00 0.00 41.96 38.03 2jgi s TYR 503 CO 0.55 -3.49 -0.13 0.95 0.64 0.00 0.00 175.55 174.07 2jgi s THR 504 N 2.28 1.14 0.35 4.34 -4.23 -1.26 -4.31 115.64 113.96 2jgi s THR 504 Ca 0.71 -1.55 0.13 0.00 -1.18 0.00 0.00 61.69 59.80 2jgi s THR 504 Cb -0.39 -1.31 0.08 0.00 1.34 0.00 0.00 72.50 72.21 2jgi s THR 504 CO 0.31 -0.38 1.80 0.71 -0.54 0.00 0.00 174.62 176.51 2jgi h THR 505 N 3.81 1.28 0.00 3.99 1.35 -1.90 0.60 112.91 122.04 2jgi h THR 505 Ca -0.39 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 2jgi h THR 505 Cb 1.19 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 2jgi h THR 505 CO 0.47 0.40 0.00 0.00 -0.25 0.00 0.00 175.52 176.14 2jgi n ALA 506 N -2.46 -0.42 -0.01 6.62 0.00 -1.26 -4.28 120.51 118.71 2jgi n ALA 506 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 2jgi n ALA 506 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 2jgi n ALA 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jgi h ALA 507 N -2.00 0.09 -3.29 0.00 0.00 -1.96 -3.49 119.26 108.61 2jgi h ALA 507 Ca 0.00 -0.54 -0.20 0.00 0.00 0.00 0.00 54.91 54.17 2jgi h ALA 507 Cb 0.00 0.02 0.06 0.00 0.00 0.00 0.00 17.79 17.88 2jgi h ALA 507 CO 0.00 0.31 -0.34 1.04 0.00 0.00 0.00 179.25 180.26 2jgi n GLN 508 N -4.27 -3.79 -2.89 0.00 6.02 0.21 -4.37 117.38 108.29 2jgi n GLN 508 Ca -0.10 0.43 -0.40 0.00 -0.01 0.00 0.00 57.00 56.92 2jgi n GLN 508 Cb 0.63 -4.26 -0.05 0.00 1.02 0.00 0.00 30.24 27.58 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 -5.57 4.57 0.33 -1.09 -0.21 -1.26 0.07 119.66 116.50 2jgi s GLN 509 Ca 0.27 1.20 0.04 0.00 0.02 0.00 0.00 55.36 56.89 2jgi s GLN 509 Cb -0.12 -3.37 -0.01 0.00 1.00 0.00 0.00 33.01 30.50 2jgi s GLN 509 CO 0.34 0.25 0.13 2.48 -2.12 0.00 0.00 175.29 176.36 2jgi n TYR 510 N 2.85 0.07 -4.26 0.91 4.11 -0.33 -3.80 117.16 116.70 2jgi n TYR 510 Ca -0.01 -2.18 -0.19 0.00 -0.00 0.00 0.00 57.90 55.52 2jgi n TYR 510 Cb 0.50 0.01 -0.11 0.00 -0.00 0.00 0.00 39.34 39.74 2jgi n TYR 510 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 2jgi s VAL 511 N -2.84 1.45 -0.24 -3.48 -7.23 -0.54 -1.77 120.40 105.75 2jgi s VAL 511 Ca 0.18 -1.75 -0.20 0.00 -1.81 0.00 0.00 61.98 58.40 2jgi s VAL 511 Cb 0.01 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 2jgi s VAL 511 CO 0.13 -0.38 0.59 -0.94 -0.31 0.00 0.00 175.10 174.19 2jgi s SER 512 N -2.47 6.57 -0.41 4.85 1.04 -0.92 -0.26 113.70 122.10 2jgi s SER 512 Ca 0.10 0.69 -0.19 0.00 0.48 0.00 0.00 55.95 57.04 2jgi s SER 512 Cb -0.05 -2.32 0.02 0.00 0.10 0.00 0.00 66.02 63.76 2jgi s SER 512 CO 0.04 -0.31 0.53 -0.76 0.98 0.00 0.00 173.24 173.72 2jgi s LEU 513 N 2.23 4.63 0.00 2.42 1.43 -0.19 -4.16 118.68 125.04 2jgi s LEU 513 Ca 0.25 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2jgi s LEU 513 Cb -0.16 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.52 2jgi s LEU 513 CO 0.09 -0.63 0.00 -0.46 0.23 0.00 0.00 176.35 175.58 2jgi n ASN 514 N 5.87 0.00 0.09 2.29 0.23 -1.26 -0.67 115.26 121.81 2jgi n ASN 514 Ca -0.05 -0.64 -0.07 0.00 -0.53 0.00 0.00 54.58 53.29 2jgi n ASN 514 Cb 0.48 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.21 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 0.19-10.05 -4.53 3.38 -1.96 -3.43 115.31 98.91 2jgi h LEU 515 Ca 0.00 -0.15 -0.51 0.00 0.09 0.00 0.00 57.88 57.32 2jgi h LEU 515 Cb 0.00 -0.06 0.07 0.00 0.09 0.00 0.00 40.66 40.76 2jgi h LEU 515 CO 0.00 0.92 0.46 -0.54 0.09 0.00 0.00 178.44 179.36 2jgi s LYS 516 N -3.31 3.51 0.98 1.13 1.02 -1.26 -5.00 119.74 116.81 2jgi s LYS 516 Ca -0.02 1.70 -0.13 0.00 0.02 0.00 0.00 55.97 57.54 2jgi s LYS 516 Cb 0.11 -2.18 0.08 0.00 -0.52 0.00 0.00 37.83 35.32 2jgi s LYS 516 CO 0.81 -0.74 0.53 -2.30 -0.92 0.00 0.00 175.35 172.74 2jgi n PRO 517 N -0.96 -0.60 -1.46 -1.68 -0.02 -1.26 -4.86 135.00 124.16 2jgi n PRO 517 Ca 0.10 -0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.02 2jgi n PRO 517 Cb 0.50 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2jgi n PRO 517 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jgi n LEU 518 N -2.13 0.10 -3.83 2.45 4.77 -1.26 -4.95 117.00 112.15 2jgi n LEU 518 Ca 0.07 0.95 -0.17 0.00 -0.03 0.00 0.00 56.01 56.82 2jgi n LEU 518 Cb 0.54 -1.12 -0.16 0.00 -2.33 0.00 0.00 43.42 40.35 2jgi n LEU 518 CO 0.51 -2.74 -0.38 -0.70 -1.33 0.00 0.00 177.39 172.75 2jgi s GLU 519 N -1.54 0.38 -0.23 3.23 2.12 -1.26 -4.84 118.70 116.56 2jgi s GLU 519 Ca 0.63 0.05 -0.18 0.00 0.36 0.00 0.00 54.97 55.83 2jgi s GLU 519 Cb -0.63 -0.54 -0.03 0.00 0.26 0.00 0.00 34.13 33.19 2jgi s GLU 519 CO 0.58 -0.13 0.49 0.08 -0.54 0.00 0.00 175.26 175.74 2jgi s VAL 520 N 1.02 5.11 0.31 3.70 1.01 -1.26 -2.16 120.40 128.13 2jgi s VAL 520 Ca -0.10 0.86 0.10 0.00 0.00 0.00 0.00 61.98 62.84 2jgi s VAL 520 Cb -0.14 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2jgi s VAL 520 CO -0.01 0.16 -0.08 -0.13 0.00 0.00 0.00 175.10 175.03 2jgi s ARG 521 N 1.85 1.94 -0.03 2.72 0.52 -0.73 -4.99 118.95 120.23 2jgi s ARG 521 Ca 0.21 -1.74 0.05 0.00 -0.52 0.00 0.00 55.73 53.73 2jgi s ARG 521 Cb -0.15 -1.87 -0.01 0.00 0.52 0.00 0.00 34.95 33.44 2jgi s ARG 521 CO 0.09 0.23 -0.19 1.03 0.02 0.00 0.00 175.30 176.48 2jgi s ARG 522 N -3.63 1.81 0.00 3.54 0.52 -1.26 -1.19 118.95 118.74 2jgi s ARG 522 Ca 0.32 -0.69 -0.00 0.00 -0.52 0.00 0.00 55.73 54.84 2jgi s ARG 522 Cb -0.02 -1.63 0.00 0.00 0.52 0.00 0.00 34.95 33.82 2jgi s ARG 522 CO 0.18 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.25 2jgi n GLY 523 N 2.89 -3.27 3.43 -3.53 0.00 0.11 -4.91 105.19 99.91 2jgi n GLY 523 Ca -0.17 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.09 4.77 -1.43 0.99 2.96 -1.26 -4.12 118.68 120.50 2jgi s LEU 524 Ca -0.00 -1.27 -0.03 0.00 -0.22 0.00 0.00 54.13 52.61 2jgi s LEU 524 Cb 0.00 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.31 2jgi s LEU 524 CO 0.01 -1.30 0.31 0.54 -1.32 0.00 0.00 176.35 174.59 2jgi n ARG 525 N 7.14 -2.28 -0.04 1.98 5.12 -1.26 -4.77 116.66 122.55 2jgi n ARG 525 Ca -0.02 0.29 -0.14 0.00 -1.93 0.00 0.00 57.85 56.05 2jgi n ARG 525 Cb 0.45 -4.10 -0.09 0.00 -1.16 0.00 0.00 32.46 27.55 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 -0.84 -0.24 7.54 0.00 -1.92 0.23 119.26 124.89 2jgi h ALA 526 Ca -0.65 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2jgi h ALA 526 Cb 1.38 1.03 -0.01 0.00 0.00 0.00 0.00 17.79 20.19 2jgi h ALA 526 CO 0.64 -1.05 0.12 1.96 0.00 0.00 0.00 179.25 180.91 2jgi h GLN 527 N -0.50 0.35 -0.37 0.00 1.08 -1.95 -1.65 115.11 112.07 2jgi h GLN 527 Ca 0.04 -0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 57.05 2jgi h GLN 527 Cb 0.62 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 2jgi h GLN 527 CO -0.46 0.35 -0.32 1.15 -0.95 0.00 0.00 178.83 178.60 2jgi h THR 528 N 0.26 1.28 -0.23 -0.54 2.02 -1.82 -1.39 112.91 112.49 2jgi h THR 528 Ca 0.08 -1.47 -0.15 0.00 0.77 0.00 0.00 66.41 65.64 2jgi h THR 528 Cb 0.12 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2jgi h THR 528 CO -0.01 0.49 -0.47 0.00 0.37 0.00 0.00 175.52 175.89 2jgi h ALA 530 N 1.00 0.42 -0.30 0.00 0.00 -0.83 0.36 119.26 119.91 2jgi h ALA 530 Ca 0.03 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2jgi h ALA 530 Cb 1.01 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 2jgi h ALA 530 CO 0.09 -0.43 -0.08 0.35 0.00 0.00 0.00 179.25 179.19 2jgi h PHE 531 N 0.01 -0.16 -0.15 0.00 3.57 -0.29 0.73 116.94 120.65 2jgi h PHE 531 Ca 0.29 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.66 2jgi h PHE 531 Cb 0.45 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2jgi h PHE 531 CO -0.49 -0.13 -0.60 -1.49 -2.23 0.00 0.00 178.31 173.37 2jgi h TRP 532 N -0.00 0.63 0.06 0.41 4.06 -0.78 -1.82 115.95 118.51 2jgi h TRP 532 Ca 0.14 -0.24 -0.34 0.00 2.06 0.00 0.00 58.89 60.51 2jgi h TRP 532 Cb 0.22 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.23 2jgi h TRP 532 CO -0.29 0.97 -1.99 0.09 -3.56 0.00 0.00 178.44 173.66 2jgi n ASN 533 N -3.93 1.47 -0.08 -3.49 4.13 0.12 -4.35 115.26 109.14 2jgi n ASN 533 Ca -0.03 0.22 -0.09 0.00 1.68 0.00 0.00 54.58 56.36 2jgi n ASN 533 Cb 0.63 -0.35 -0.10 0.00 -1.54 0.00 0.00 39.78 38.42 2jgi n ASN 533 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2jgi n ARG 534 N -3.23 1.20 -0.05 3.52 1.74 0.23 -4.67 116.66 115.39 2jgi n ARG 534 Ca -0.28 0.04 -0.03 0.00 -0.77 0.00 0.00 57.85 56.81 2jgi n ARG 534 Cb 1.05 -1.35 -0.01 0.00 -1.02 0.00 0.00 32.46 31.13 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 0.00 0.00 -0.76 -1.55 3.57 -1.33 -3.37 116.94 113.49 2jgi h PHE 535 Ca -0.38 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.30 2jgi h PHE 535 Cb 1.74 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 40.36 2jgi h PHE 535 CO 0.01 0.00 0.13 1.25 -2.23 0.00 0.00 178.31 177.47 2jgi h LEU 536 N -0.83 -0.10 -0.06 0.59 5.85 -1.53 -0.90 115.31 118.32 2jgi h LEU 536 Ca 0.00 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2jgi h LEU 536 Cb 0.30 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2jgi h LEU 536 CO 0.00 -0.10 -0.31 -0.65 -0.34 0.00 0.00 178.44 177.04 2jgi h PRO 537 N 0.20 -0.41 -0.64 5.25 0.11 -1.78 -1.05 132.00 133.68 2jgi h PRO 537 Ca 0.44 0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.76 2jgi h PRO 537 Cb 0.78 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 2jgi h PRO 537 CO -0.58 -0.27 0.46 0.87 -0.21 0.00 0.00 178.00 178.27 2jgi h LYS 538 N -0.43 0.00 -0.02 1.05 1.57 -1.36 -2.76 116.57 114.63 2jgi h LYS 538 Ca 0.08 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 2jgi h LYS 538 Cb 0.54 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.87 2jgi h LYS 538 CO -0.30 0.00 -0.66 1.25 -0.57 0.00 0.00 179.45 179.17 2jgi h LEU 539 N 0.00 0.61 -0.09 2.94 5.85 -0.27 -3.34 115.31 121.00 2jgi h LEU 539 Ca 0.30 -0.74 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 2jgi h LEU 539 Cb 1.23 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 2jgi h LEU 539 CO -0.00 1.27 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.26 2jgi h LEU 540 N 0.01 0.19 -8.26 2.25 3.38 -1.06 -3.42 115.31 108.41 2jgi h LEU 540 Ca -0.08 -0.39 -0.70 0.00 0.09 0.00 0.00 57.88 56.80 2jgi h LEU 540 Cb 1.36 -0.05 -0.20 0.00 0.09 0.00 0.00 40.66 41.86 2jgi h LEU 540 CO 0.13 0.54 0.02 -0.94 0.09 0.00 0.00 178.44 178.29 2jgi s SER 541 N -5.80 6.20 0.00 -0.43 1.04 -1.11 -5.06 113.70 108.53 2jgi s SER 541 Ca -0.15 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.03 2jgi s SER 541 Cb 0.04 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.88 2jgi s SER 541 CO 0.71 -0.97 0.00 0.00 0.98 0.00 0.00 173.24 173.96