#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jak h ARG 9 N 0.00 0.75 -0.01 0.11 3.08 -2.01 -1.31 114.38 115.00 1jak h ARG 9 Ca 0.00 -0.05 -0.22 0.00 0.07 0.00 0.00 59.98 59.78 1jak h ARG 9 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1jak h ARG 9 CO 0.00 0.50 -0.92 0.87 -1.07 0.00 0.00 179.97 179.35 1jak h LYS 10 N 0.77 0.42 -2.27 0.04 6.56 -1.98 -3.40 116.57 116.70 1jak h LYS 10 Ca 0.25 -0.44 -0.58 0.00 -1.06 0.00 0.00 60.65 58.82 1jak h LYS 10 Cb 0.00 0.12 -0.38 0.00 -0.57 0.00 0.00 32.23 31.40 1jak h LYS 10 CO -0.09 1.10 -1.01 0.00 -2.06 0.00 0.00 179.45 177.39 1jak n ALA 11 N -2.54 2.76 -1.55 3.86 0.00 -1.17 -2.04 120.51 119.84 1jak n ALA 11 Ca -0.06 -3.21 -0.39 0.00 0.00 0.00 0.00 53.44 49.77 1jak n ALA 11 Cb 0.82 -0.77 0.03 0.00 0.00 0.00 0.00 19.45 19.53 1jak n ALA 11 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1jak n PRO 12 N 2.43 0.84 -0.17 0.00 -0.02 -0.50 -4.82 135.00 132.76 1jak n PRO 12 Ca 0.27 0.32 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1jak n PRO 12 Cb 0.49 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1jak n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1jak h VAL 13 N 0.67 1.26 -2.29 -1.45 2.07 -1.98 -3.43 116.25 111.11 1jak h VAL 13 Ca -0.46 -1.10 -0.57 0.00 0.82 0.00 0.00 66.70 65.39 1jak h VAL 13 Cb 1.37 0.99 -0.10 0.00 -1.52 0.00 0.00 31.29 32.03 1jak h VAL 13 CO 0.51 0.39 -0.66 -0.13 0.02 0.00 0.00 177.57 177.70 1jak s ARG 14 N -4.99 2.26 0.52 1.57 1.81 -1.26 -4.99 118.95 113.88 1jak s ARG 14 Ca -0.12 -1.41 -0.20 0.00 -1.72 0.00 0.00 55.73 52.28 1jak s ARG 14 Cb 0.12 -2.15 -0.06 0.00 -0.45 0.00 0.00 34.95 32.40 1jak s ARG 14 CO 0.83 0.37 1.15 -1.25 -0.68 0.00 0.00 175.30 175.71 1jak s PRO 15 N -3.57 3.44 0.54 3.54 0.04 -1.26 -4.99 135.00 132.73 1jak s PRO 15 Ca 0.31 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 1jak s PRO 15 Cb -0.07 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1jak s PRO 15 CO 0.19 -0.79 1.19 0.95 0.04 0.00 0.00 177.00 178.59 1jak s THR 16 N -1.69 2.84 0.38 1.26 -4.23 -1.26 -4.90 115.64 108.04 1jak s THR 16 Ca 0.70 0.57 -0.25 0.00 -1.18 0.00 0.00 61.69 61.53 1jak s THR 16 Cb -0.26 -3.25 -0.12 0.00 1.34 0.00 0.00 72.50 70.21 1jak s THR 16 CO 0.30 -0.07 1.03 -2.65 -0.54 0.00 0.00 174.62 172.68 1jak n PRO 17 N -1.13 1.41 0.24 3.99 -0.02 -1.26 -4.41 135.00 133.83 1jak n PRO 17 Ca 0.11 0.50 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 1jak n PRO 17 Cb 0.49 -2.01 0.84 0.00 -0.02 0.00 0.00 33.50 32.79 1jak n PRO 17 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1jak h LEU 18 N 1.73 0.00 -0.45 2.45 5.85 -1.91 -1.59 115.31 121.38 1jak h LEU 18 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1jak h LEU 18 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1jak h LEU 18 CO 0.58 0.00 -0.36 -0.90 -0.34 0.00 0.00 178.44 177.42 1jak n ASP 19 N -3.94 1.07 -3.63 1.25 5.75 -1.26 -4.65 116.55 111.12 1jak n ASP 19 Ca -0.01 -0.87 -0.41 0.00 -0.01 0.00 0.00 54.79 53.49 1jak n ASP 19 Cb 0.20 0.24 -0.01 0.00 -1.03 0.00 0.00 41.12 40.52 1jak n ASP 19 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1jak n ARG 20 N -0.75 3.20 -4.03 0.11 0.63 -0.60 -4.82 116.66 110.39 1jak n ARG 20 Ca 0.10 -2.63 -0.08 0.00 -0.92 0.00 0.00 57.85 54.32 1jak n ARG 20 Cb 0.36 -3.11 -0.10 0.00 0.45 0.00 0.00 32.46 30.06 1jak n ARG 20 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1jak s VAL 21 N 2.50 0.18 -0.07 5.15 -7.23 -1.26 -4.85 120.40 114.82 1jak s VAL 21 Ca 0.52 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 1jak s VAL 21 Cb 0.15 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.89 1jak s VAL 21 CO -0.07 -0.84 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.13 1jak s ILE 22 N -3.34 1.10 0.70 -0.62 1.01 -1.26 -3.38 121.20 115.41 1jak s ILE 22 Ca 0.01 -0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.08 1jak s ILE 22 Cb 0.04 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.51 1jak s ILE 22 CO -0.08 0.35 1.15 -2.84 0.00 0.00 0.00 174.94 173.52 1jak s PRO 23 N 0.83 2.42 0.20 2.79 0.02 -1.26 -4.75 135.00 135.25 1jak s PRO 23 Ca -0.11 1.55 -0.32 0.00 0.02 0.00 0.00 61.00 62.14 1jak s PRO 23 Cb -0.15 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.36 1jak s PRO 23 CO 0.02 -1.57 1.69 0.00 -0.33 0.00 0.00 177.00 176.80 1jak s ALA 24 N -2.22 3.90 0.59 -1.55 0.00 -1.22 -4.94 121.76 116.32 1jak s ALA 24 Ca 0.70 1.55 -0.17 0.00 0.00 0.00 0.00 51.96 54.04 1jak s ALA 24 Cb -0.24 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 1jak s ALA 24 CO 0.44 -0.90 1.09 -2.14 0.00 0.00 0.00 175.76 174.25 1jak s PRO 25 N 1.08 3.22 0.34 0.00 0.02 -1.26 -4.42 135.00 133.97 1jak s PRO 25 Ca 0.73 1.37 0.02 0.00 0.02 0.00 0.00 61.00 63.14 1jak s PRO 25 Cb -0.48 -2.01 0.61 0.00 0.02 0.00 0.00 34.50 32.64 1jak s PRO 25 CO 0.33 -0.91 2.00 0.00 -0.33 0.00 0.00 177.00 178.09 1jak h ALA 26 N 0.61 1.53 -3.03 -1.55 0.00 -1.84 -3.42 119.26 111.56 1jak h ALA 26 Ca -0.48 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 1jak h ALA 26 Cb 1.24 -0.26 -0.31 0.00 0.00 0.00 0.00 17.79 18.46 1jak h ALA 26 CO 0.56 0.44 -0.51 0.45 0.00 0.00 0.00 179.25 180.19 1jak s SER 27 N -6.46 -0.13 -0.10 0.00 0.15 -0.44 -4.98 113.70 101.74 1jak s SER 27 Ca -0.10 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1jak s SER 27 Cb 0.18 0.42 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1jak s SER 27 CO 0.77 -0.18 -0.09 -0.69 1.20 0.00 0.00 173.24 174.25 1jak s VAL 28 N 1.44 1.06 -0.53 4.45 1.01 -1.26 -1.53 120.40 125.04 1jak s VAL 28 Ca -0.08 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1jak s VAL 28 Cb -0.11 -1.05 0.15 0.00 0.00 0.00 0.00 36.38 35.37 1jak s VAL 28 CO -0.08 0.37 0.34 -0.62 0.00 0.00 0.00 175.10 175.11 1jak s ASP 29 N 1.48 3.71 0.53 3.32 2.15 0.63 -5.02 116.67 123.46 1jak s ASP 29 Ca 0.01 -3.15 -0.20 0.00 0.43 0.00 0.00 52.55 49.64 1jak s ASP 29 Cb -0.13 -1.19 -0.06 0.00 -0.30 0.00 0.00 42.92 41.23 1jak s ASP 29 CO -0.06 -0.19 1.15 -2.16 -0.17 0.00 0.00 175.17 173.75 1jak s PRO 30 N -0.36 3.40 0.00 4.34 0.04 -1.26 -1.13 135.00 140.03 1jak s PRO 30 Ca 0.23 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1jak s PRO 30 Cb -0.13 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1jak s PRO 30 CO -0.09 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.54 1jak n GLY 31 N 0.28 2.10 6.64 0.56 0.00 -0.64 -4.89 105.19 109.25 1jak n GLY 31 Ca 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1jak n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jak n GLY 32 N -0.44 -1.73 3.88 -0.02 0.00 -1.26 -2.43 105.19 103.19 1jak n GLY 32 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 1jak n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jak s ALA 33 N -1.35 3.25 0.87 4.61 0.00 -1.26 -4.47 121.76 123.42 1jak s ALA 33 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 1jak s ALA 33 Cb 0.00 -2.84 0.14 0.00 0.00 0.00 0.00 23.12 20.43 1jak s ALA 33 CO 0.00 -0.32 1.23 -1.25 0.00 0.00 0.00 175.76 175.42 1jak s PRO 34 N -4.48 1.28 0.10 0.00 0.04 -1.26 -3.95 135.00 126.74 1jak s PRO 34 Ca 0.52 -0.27 0.02 0.00 0.04 0.00 0.00 61.00 61.32 1jak s PRO 34 Cb -0.10 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1jak s PRO 34 CO 0.41 -1.98 0.19 -0.47 0.04 0.00 0.00 177.00 175.19 1jak s TYR 35 N -3.68 3.39 -0.11 0.56 5.04 -0.15 -3.36 117.35 119.04 1jak s TYR 35 Ca 0.68 0.15 -0.01 0.00 -2.44 0.00 0.00 57.07 55.45 1jak s TYR 35 Cb -0.07 -1.68 0.03 0.00 0.35 0.00 0.00 41.96 40.59 1jak s TYR 35 CO 0.50 0.55 -0.05 0.50 -1.34 0.00 0.00 175.55 175.72 1jak s ARG 36 N -2.72 1.21 0.04 4.97 3.52 -1.26 -0.77 118.95 123.94 1jak s ARG 36 Ca 0.33 -0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.44 1jak s ARG 36 Cb -0.12 -1.48 -0.05 0.00 -1.56 0.00 0.00 34.95 31.75 1jak s ARG 36 CO 0.26 -0.31 1.17 0.42 -0.81 0.00 0.00 175.30 176.03 1jak s ILE 37 N 1.78 4.17 0.38 4.11 1.01 -0.39 -5.01 121.20 127.26 1jak s ILE 37 Ca 0.04 1.55 0.07 0.00 0.00 0.00 0.00 60.65 62.31 1jak s ILE 37 Cb -0.13 -3.99 -0.07 0.00 0.01 0.00 0.00 42.46 38.27 1jak s ILE 37 CO -0.07 0.10 -0.00 0.42 0.00 0.00 0.00 174.94 175.39 1jak s THR 38 N 1.24 1.92 0.44 2.92 -4.23 -1.26 -4.50 115.64 112.17 1jak s THR 38 Ca 0.57 -2.04 0.27 0.00 -1.18 0.00 0.00 61.69 59.32 1jak s THR 38 Cb -0.28 -2.90 0.46 0.00 1.34 0.00 0.00 72.50 71.13 1jak s THR 38 CO 0.28 -0.04 1.71 0.08 -0.54 0.00 0.00 174.62 176.11 1jak h ARG 39 N 1.87 0.20 -0.45 3.99 0.11 -1.97 -0.63 114.38 117.50 1jak h ARG 39 Ca -0.43 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1jak h ARG 39 Cb 1.24 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1jak h ARG 39 CO 0.77 0.13 0.00 0.41 0.10 0.00 0.00 179.97 181.38 1jak n GLY 40 N -1.55 1.15 3.72 0.08 0.00 -1.26 -4.38 105.19 102.95 1jak n GLY 40 Ca 0.31 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1jak n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jak s THR 41 N -1.40 2.48 0.12 2.61 2.01 -0.24 -4.96 115.64 116.25 1jak s THR 41 Ca 0.32 0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.71 1jak s THR 41 Cb 0.17 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1jak s THR 41 CO 0.22 0.03 0.07 -1.00 -0.69 0.00 0.00 174.62 173.26 1jak s HIS 42 N 0.93 3.09 -0.37 4.92 3.76 -1.26 -4.06 115.29 122.31 1jak s HIS 42 Ca 0.69 -0.00 -0.08 0.00 -0.15 0.00 0.00 55.06 55.52 1jak s HIS 42 Cb -0.45 -1.54 0.05 0.00 1.11 0.00 0.00 32.58 31.75 1jak s HIS 42 CO 0.34 0.51 0.17 0.42 -0.85 0.00 0.00 174.74 175.34 1jak s ILE 43 N -1.54 4.08 -0.15 0.60 1.01 -0.23 -2.37 121.20 122.61 1jak s ILE 43 Ca 0.29 -1.16 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 1jak s ILE 43 Cb -0.11 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1jak s ILE 43 CO 0.21 -0.30 0.50 -0.60 0.00 0.00 0.00 174.94 174.75 1jak s ARG 44 N 1.44 4.28 0.28 2.79 6.06 0.34 -1.34 118.95 132.80 1jak s ARG 44 Ca 0.01 0.44 0.04 0.00 -2.50 0.00 0.00 55.73 53.72 1jak s ARG 44 Cb -0.20 -3.49 -0.06 0.00 0.06 0.00 0.00 34.95 31.26 1jak s ARG 44 CO 0.03 0.03 0.03 0.14 -2.50 0.00 0.00 175.30 173.04 1jak s VAL 45 N 1.04 1.11 0.69 7.11 -7.23 0.13 -0.66 120.40 122.58 1jak s VAL 45 Ca 0.25 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.28 1jak s VAL 45 Cb -0.15 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.20 1jak s VAL 45 CO 0.10 -0.14 1.07 -1.81 -0.31 0.00 0.00 175.10 174.01 1jak s ASP 46 N -3.40 5.26 -1.36 4.85 1.01 -1.24 -4.10 116.67 117.70 1jak s ASP 46 Ca 0.33 1.73 -0.13 0.00 0.71 0.00 0.00 52.55 55.20 1jak s ASP 46 Cb 0.07 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 1jak s ASP 46 CO 0.13 -1.52 2.41 -0.67 0.21 0.00 0.00 175.17 175.73 1jak n ASP 47 N -2.92 5.39 -3.85 0.27 2.03 -1.26 -4.33 116.55 111.88 1jak n ASP 47 Ca 0.08 -2.67 -0.11 0.00 0.52 0.00 0.00 54.79 52.61 1jak n ASP 47 Cb 0.53 -1.49 -0.09 0.00 -0.72 0.00 0.00 41.12 39.35 1jak n ASP 47 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1jak s SER 48 N 3.14 0.01 0.11 1.67 1.04 -1.26 -5.06 113.70 113.35 1jak s SER 48 Ca 0.55 -0.26 -0.22 0.00 0.48 0.00 0.00 55.95 56.50 1jak s SER 48 Cb 0.15 0.25 -0.08 0.00 0.10 0.00 0.00 66.02 66.45 1jak s SER 48 CO -0.05 -0.46 1.71 -0.09 0.98 0.00 0.00 173.24 175.33 1jak h ARG 49 N 3.85 -0.06 -0.56 4.02 9.65 -1.99 -1.48 114.38 127.81 1jak h ARG 49 Ca -0.31 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.56 1jak h ARG 49 Cb 1.19 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.76 1jak h ARG 49 CO 0.44 -0.04 0.30 1.05 2.80 0.00 0.00 179.97 184.52 1jak h GLU 50 N -0.07 0.77 0.08 0.20 4.11 -1.97 -0.71 114.58 116.99 1jak h GLU 50 Ca 0.06 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 1jak h GLU 50 Cb 0.15 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1jak h GLU 50 CO -0.13 0.57 -0.04 0.00 0.07 0.00 0.00 179.01 179.49 1jak h ALA 51 N 1.56 -0.10 -0.32 1.06 0.00 -1.77 -2.91 119.26 116.78 1jak h ALA 51 Ca 0.20 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jak h ALA 51 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jak h ALA 51 CO -0.03 -0.34 0.21 0.00 0.00 0.00 0.00 179.25 179.09 1jak h ARG 52 N -0.54 0.32 -0.60 0.00 3.08 -1.09 -1.52 114.38 114.03 1jak h ARG 52 Ca -0.01 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1jak h ARG 52 Cb 0.46 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1jak h ARG 52 CO 0.02 0.21 0.36 -0.09 -1.07 0.00 0.00 179.97 179.40 1jak h ARG 53 N 0.33 0.81 -0.13 0.04 2.43 -1.03 0.24 114.38 117.07 1jak h ARG 53 Ca 0.13 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 1jak h ARG 53 Cb 0.10 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1jak h ARG 53 CO -0.03 0.58 -0.60 0.28 -1.51 0.00 0.00 179.97 178.70 1jak h VAL 54 N 0.81 1.35 -0.33 0.20 2.07 -1.17 -1.96 116.25 117.22 1jak h VAL 54 Ca 0.22 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 1jak h VAL 54 Cb -0.02 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1jak h VAL 54 CO -0.04 0.58 0.12 1.23 0.02 0.00 0.00 177.57 179.48 1jak h GLY 55 N 1.21 0.55 1.34 2.17 0.00 -0.69 -1.24 103.07 106.40 1jak h GLY 55 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1jak h GLY 55 CO 0.10 0.29 0.14 -0.55 0.00 0.00 0.00 176.54 176.52 1jak h ASP 56 N 0.39 0.78 -0.43 0.19 3.32 -0.48 -0.59 116.42 119.61 1jak h ASP 56 Ca 0.11 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1jak h ASP 56 Cb 0.22 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1jak h ASP 56 CO -0.01 0.76 0.26 0.22 -1.72 0.00 0.00 179.24 178.75 1jak h TYR 57 N 0.80 0.56 -0.20 4.55 3.20 -1.01 -0.88 116.97 124.00 1jak h TYR 57 Ca 0.18 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1jak h TYR 57 Cb 0.29 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1jak h TYR 57 CO 0.02 0.40 0.04 1.25 -1.64 0.00 0.00 178.16 178.23 1jak h LEU 58 N 0.56 0.31 -0.59 2.82 5.85 -0.82 -2.38 115.31 121.05 1jak h LEU 58 Ca 0.15 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1jak h LEU 58 Cb -0.00 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1jak h LEU 58 CO -0.03 0.47 0.30 0.00 -0.34 0.00 0.00 178.44 178.84 1jak h ALA 59 N 0.85 0.78 -0.55 1.25 0.00 -0.94 -1.20 119.26 119.45 1jak h ALA 59 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jak h ALA 59 Cb 0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1jak h ALA 59 CO 0.00 -0.05 0.36 -0.44 0.00 0.00 0.00 179.25 179.12 1jak h ASP 60 N 0.56 0.63 0.28 0.00 3.32 -1.03 0.96 116.42 121.15 1jak h ASP 60 Ca 0.27 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 1jak h ASP 60 Cb 0.20 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1jak h ASP 60 CO -0.19 0.46 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.18 1jak h LEU 61 N 0.74 0.31 0.00 1.55 3.38 -0.72 -3.35 115.31 117.22 1jak h LEU 61 Ca 0.20 -0.16 -0.30 0.00 0.09 0.00 0.00 57.88 57.71 1jak h LEU 61 Cb -0.08 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1jak h LEU 61 CO -0.04 0.80 -1.91 0.18 0.09 0.00 0.00 178.44 177.56 1jak n LEU 62 N -3.93 0.57 -0.19 1.67 4.77 -0.69 -4.58 117.00 114.61 1jak n LEU 62 Ca -0.02 0.27 -0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1jak n LEU 62 Cb 0.58 0.26 0.10 0.00 -2.33 0.00 0.00 43.42 42.03 1jak n LEU 62 CO 0.44 0.39 0.95 0.03 -1.33 0.00 0.00 177.39 177.87 1jak h ARG 63 N 0.00 0.32 0.20 3.23 3.08 -0.96 -1.93 114.38 118.32 1jak h ARG 63 Ca -0.35 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1jak h ARG 63 Cb 2.03 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.99 1jak h ARG 63 CO 0.06 0.21 -0.20 -1.35 -1.07 0.00 0.00 179.97 177.62 1jak h PRO 64 N 0.33 -0.42 -0.07 0.04 0.11 -1.81 0.76 132.00 130.95 1jak h PRO 64 Ca 0.30 0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.28 1jak h PRO 64 Cb 0.40 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1jak h PRO 64 CO -0.34 -0.28 -0.65 0.00 -0.21 0.00 0.00 178.00 176.52 1jak h ALA 65 N 0.31 0.76 0.12 -0.75 0.00 -1.50 -2.73 119.26 115.47 1jak h ALA 65 Ca -0.00 -0.57 -0.32 0.00 0.00 0.00 0.00 54.91 54.02 1jak h ALA 65 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jak h ALA 65 CO -0.05 0.76 -1.63 1.79 0.00 0.00 0.00 179.25 180.12 1jak h THR 66 N 0.19 1.04 0.00 0.00 1.35 -1.33 0.57 112.91 114.73 1jak h THR 66 Ca -0.01 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.15 1jak h THR 66 Cb 1.18 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 1jak h THR 66 CO 0.10 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 1jak n GLY 67 N 1.72 1.27 3.80 5.82 0.00 0.26 -4.57 105.19 113.50 1jak n GLY 67 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1jak n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jak s TYR 68 N -3.71 3.01 0.07 1.61 2.02 -1.25 -4.99 117.35 114.12 1jak s TYR 68 Ca 0.00 1.52 -0.20 0.00 -0.37 0.00 0.00 57.07 58.02 1jak s TYR 68 Cb 0.00 -3.01 -0.10 0.00 -0.40 0.00 0.00 41.96 38.45 1jak s TYR 68 CO 0.00 -1.03 1.53 -0.09 -1.57 0.00 0.00 175.55 174.39 1jak h ARG 69 N 0.67 0.32 -6.27 -0.62 2.43 -1.91 -3.42 114.38 105.57 1jak h ARG 69 Ca -0.47 -0.09 -0.43 0.00 -0.81 0.00 0.00 59.98 58.18 1jak h ARG 69 Cb 1.22 -0.04 0.07 0.00 -0.42 0.00 0.00 29.97 30.80 1jak h ARG 69 CO 0.58 0.49 -0.90 1.28 -1.51 0.00 0.00 179.97 179.90 1jak n LEU 70 N -4.75 -2.78 -4.77 3.80 4.77 -1.26 -4.91 117.00 107.11 1jak n LEU 70 Ca -0.04 -0.98 -0.38 0.00 -0.03 0.00 0.00 56.01 54.58 1jak n LEU 70 Cb 0.20 -2.32 0.00 0.00 -2.33 0.00 0.00 43.42 38.97 1jak n LEU 70 CO 0.36 0.40 0.87 -2.16 -1.33 0.00 0.00 177.39 175.53 1jak s PRO 71 N -5.85 3.65 -0.27 3.23 0.04 -1.26 -4.71 135.00 129.83 1jak s PRO 71 Ca 0.42 1.90 -0.09 0.00 0.04 0.00 0.00 61.00 63.27 1jak s PRO 71 Cb -0.16 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 1jak s PRO 71 CO 0.87 -0.68 0.11 0.08 0.04 0.00 0.00 177.00 177.42 1jak s VAL 72 N -1.47 4.56 0.07 -0.36 1.01 -1.26 -1.06 120.40 121.89 1jak s VAL 72 Ca 0.65 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.46 1jak s VAL 72 Cb -0.32 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1jak s VAL 72 CO 0.39 0.25 -0.07 0.28 0.00 0.00 0.00 175.10 175.94 1jak s THR 73 N 1.64 0.64 -0.24 3.92 -1.32 -0.45 -5.00 115.64 114.83 1jak s THR 73 Ca 0.06 -1.57 0.14 0.00 -1.21 0.00 0.00 61.69 59.10 1jak s THR 73 Cb -0.16 -1.23 0.70 0.00 -1.51 0.00 0.00 72.50 70.30 1jak s THR 73 CO 0.06 -0.66 1.65 0.00 -2.21 0.00 0.00 174.62 173.45 1jak n ALA 74 N 0.59 3.75 -2.64 11.08 0.00 -1.26 -0.69 120.51 131.34 1jak n ALA 74 Ca -0.17 -2.19 -0.09 0.00 0.00 0.00 0.00 53.44 51.00 1jak n ALA 74 Cb 0.58 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.94 1jak n ALA 74 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1jak s HIS 75 N -2.86 0.25 0.00 0.00 3.76 -1.26 -4.71 115.29 110.48 1jak s HIS 75 Ca 0.50 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 1jak s HIS 75 Cb 0.40 -0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.91 1jak s HIS 75 CO 0.13 -0.36 0.00 0.41 -0.85 0.00 0.00 174.74 174.07 1jak n GLY 76 N 0.71 -2.85 2.53 -2.22 0.00 -1.26 -4.72 105.19 97.38 1jak n GLY 76 Ca -0.19 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 1jak n GLY 76 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jak n HIS 77 N -0.38 3.43 -1.45 1.61 8.25 -1.26 -5.00 115.22 120.42 1jak n HIS 77 Ca 0.00 -3.88 -0.36 0.00 -0.26 0.00 0.00 57.72 53.22 1jak n HIS 77 Cb 0.00 -0.68 0.07 0.00 1.12 0.00 0.00 29.99 30.50 1jak n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jak n GLY 78 N 0.88 -0.50 0.23 -1.41 0.00 -1.26 -4.90 105.19 98.23 1jak n GLY 78 Ca 0.29 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1jak n GLY 78 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jak h GLY 79 N -0.00 0.01 -6.51 -0.02 0.00 -1.82 -3.38 103.07 91.36 1jak h GLY 79 Ca -0.48 -0.01 -0.67 0.00 0.00 0.00 0.00 47.33 46.18 1jak h GLY 79 CO 0.48 0.01 -0.84 -0.42 0.00 0.00 0.00 176.54 175.76 1jak s ILE 80 N -4.71 2.13 -0.10 2.60 1.01 -1.00 -0.47 121.20 120.67 1jak s ILE 80 Ca -0.04 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.55 1jak s ILE 80 Cb 0.16 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 1jak s ILE 80 CO 0.69 0.40 -0.21 -0.60 0.00 0.00 0.00 174.94 175.22 1jak s ARG 81 N 1.25 3.00 -0.26 2.79 6.06 0.27 -0.51 118.95 131.55 1jak s ARG 81 Ca 0.02 -0.83 -0.03 0.00 -2.50 0.00 0.00 55.73 52.39 1jak s ARG 81 Cb -0.15 -2.35 0.02 0.00 0.06 0.00 0.00 34.95 32.53 1jak s ARG 81 CO -0.11 0.25 -0.02 -0.51 -2.50 0.00 0.00 175.30 172.41 1jak s LEU 82 N 0.19 3.38 -0.02 -0.88 1.43 0.16 -0.50 118.68 122.44 1jak s LEU 82 Ca -0.12 -0.84 0.04 0.00 -1.03 0.00 0.00 54.13 52.18 1jak s LEU 82 Cb -0.16 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1jak s LEU 82 CO 0.07 -0.15 -0.13 0.00 0.23 0.00 0.00 176.35 176.38 1jak s ARG 83 N 1.37 1.10 -0.24 1.70 1.70 -0.31 -3.61 118.95 120.65 1jak s ARG 83 Ca 0.01 -0.45 -0.12 0.00 -0.47 0.00 0.00 55.73 54.70 1jak s ARG 83 Cb -0.17 -1.04 -0.05 0.00 -0.57 0.00 0.00 34.95 33.12 1jak s ARG 83 CO -0.03 0.24 0.23 -0.51 -1.08 0.00 0.00 175.30 174.16 1jak s LEU 84 N -0.18 4.10 0.27 -1.89 1.43 -1.26 -1.70 118.68 119.45 1jak s LEU 84 Ca 0.03 0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 53.13 1jak s LEU 84 Cb -0.06 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.95 1jak s LEU 84 CO -0.00 -0.01 0.65 0.00 0.23 0.00 0.00 176.35 177.23 1jak s ALA 85 N 1.31 -0.97 0.75 4.21 0.00 0.07 -4.95 121.76 122.19 1jak s ALA 85 Ca 0.11 -0.44 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 1jak s ALA 85 Cb -0.14 0.91 0.05 0.00 0.00 0.00 0.00 23.12 23.93 1jak s ALA 85 CO 0.07 -0.98 1.12 0.20 0.00 0.00 0.00 175.76 176.17 1jak s GLY 86 N -2.94 1.93 0.00 0.00 0.00 -1.26 -3.64 107.32 101.41 1jak s GLY 86 Ca 0.14 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.36 1jak s GLY 86 CO 0.07 0.87 0.00 0.61 0.00 0.00 0.00 173.10 174.65 1jak n GLY 87 N -0.52 2.21 2.35 0.20 0.00 -1.26 -4.94 105.19 103.22 1jak n GLY 87 Ca 0.11 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1jak n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jak n PRO 88 N -0.86 3.59 -0.00 1.61 -0.04 -1.26 -4.34 135.00 133.71 1jak n PRO 88 Ca 0.00 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 1jak n PRO 88 Cb 0.00 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 1jak n PRO 88 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jak n TYR 89 N 2.41 0.00 -4.82 0.54 4.01 -1.26 -4.96 117.16 113.08 1jak n TYR 89 Ca 0.64 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 58.29 1jak n TYR 89 Cb 0.38 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1jak n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jak n GLY 90 N -0.04 0.94 0.19 2.72 0.00 -1.26 0.65 105.19 108.39 1jak n GLY 90 Ca 0.00 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.34 1jak n GLY 90 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jak h ASP 91 N 0.79 0.00 0.00 1.61 3.32 -1.98 -3.38 116.42 116.78 1jak h ASP 91 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jak h ASP 91 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1jak h ASP 91 CO 0.00 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.90 1jak n GLU 92 N -2.89 3.04 -2.18 3.56 1.02 -1.24 -3.94 120.64 118.00 1jak n GLU 92 Ca 0.04 -0.15 -0.27 0.00 -0.02 0.00 0.00 57.16 56.76 1jak n GLU 92 Cb 0.50 -0.58 0.15 0.00 -0.02 0.00 0.00 31.44 31.49 1jak n GLU 92 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1jak s GLY 93 N -0.48 1.76 0.15 0.62 0.00 0.21 -4.15 107.32 105.44 1jak s GLY 93 Ca 0.00 -1.35 -0.25 0.00 0.00 0.00 0.00 44.72 43.11 1jak s GLY 93 CO 0.00 -0.69 0.96 -2.52 0.00 0.00 0.00 173.10 170.85 1jak s TYR 94 N -3.57 -0.13 -0.01 1.90 1.13 -0.34 -4.32 117.35 112.01 1jak s TYR 94 Ca 0.70 -0.18 0.06 0.00 -1.41 0.00 0.00 57.07 56.24 1jak s TYR 94 Cb -0.05 0.64 -0.01 0.00 -1.10 0.00 0.00 41.96 41.44 1jak s TYR 94 CO 0.49 -0.82 -0.18 0.50 -2.51 0.00 0.00 175.55 173.02 1jak s ARG 95 N -3.28 1.49 -0.16 -3.49 3.52 0.29 -1.10 118.95 116.23 1jak s ARG 95 Ca 0.12 -0.66 -0.00 0.00 -0.13 0.00 0.00 55.73 55.07 1jak s ARG 95 Cb -0.01 -1.44 0.04 0.00 -1.56 0.00 0.00 34.95 31.97 1jak s ARG 95 CO 0.02 0.39 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.65 1jak s LEU 96 N -0.43 1.72 -0.12 -0.88 0.20 0.95 -0.75 118.68 119.37 1jak s LEU 96 Ca 0.07 -0.63 -0.02 0.00 0.69 0.00 0.00 54.13 54.23 1jak s LEU 96 Cb -0.07 -1.03 -0.03 0.00 -0.43 0.00 0.00 46.19 44.63 1jak s LEU 96 CO -0.01 -0.14 -0.03 -1.81 -0.29 0.00 0.00 176.35 174.07 1jak s ASP 97 N 1.56 4.89 -0.02 3.68 1.01 0.16 -0.80 116.67 127.15 1jak s ASP 97 Ca 0.02 -0.04 0.02 0.00 0.71 0.00 0.00 52.55 53.25 1jak s ASP 97 Cb -0.15 -1.59 0.01 0.00 1.01 0.00 0.00 42.92 42.20 1jak s ASP 97 CO -0.08 0.26 -0.06 -0.55 0.21 0.00 0.00 175.17 174.94 1jak s SER 98 N -0.15 0.87 -0.04 0.27 0.15 -0.00 -0.71 113.70 114.08 1jak s SER 98 Ca 0.03 -0.13 -0.28 0.00 0.70 0.00 0.00 55.95 56.28 1jak s SER 98 Cb -0.13 -0.23 0.09 0.00 -1.71 0.00 0.00 66.02 64.04 1jak s SER 98 CO 0.02 0.03 1.26 0.61 1.20 0.00 0.00 173.24 176.36 1jak n GLY 99 N 3.35 0.19 0.37 9.45 0.00 -0.91 -1.19 105.19 116.45 1jak n GLY 99 Ca -0.18 -1.03 0.20 0.00 0.00 0.00 0.00 46.02 45.00 1jak n GLY 99 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jak h PRO 100 N 0.00 0.00 0.00 1.61 0.11 -1.69 0.80 132.00 132.82 1jak h PRO 100 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1jak h PRO 100 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jak h PRO 100 CO 0.29 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.08 1jak n ALA 101 N -2.51 2.14 0.00 -0.75 0.00 -1.26 -4.91 120.51 113.22 1jak n ALA 101 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1jak n ALA 101 Cb 0.55 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1jak n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jak n GLY 102 N 0.83 0.88 3.36 0.00 0.00 0.27 -4.88 105.19 105.66 1jak n GLY 102 Ca 0.08 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 1jak n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jak s VAL 103 N -0.97 3.05 -0.11 1.61 1.01 0.39 -2.14 120.40 123.25 1jak s VAL 103 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1jak s VAL 103 Cb 0.00 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1jak s VAL 103 CO 0.00 0.52 -0.16 -0.89 0.00 0.00 0.00 175.10 174.57 1jak s THR 104 N 0.46 1.54 -0.23 3.92 2.01 0.11 -0.57 115.64 122.88 1jak s THR 104 Ca -0.09 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 1jak s THR 104 Cb -0.16 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 70.95 1jak s THR 104 CO 0.05 0.45 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.76 1jak s ILE 105 N 0.91 3.41 -0.05 1.82 1.01 0.34 -0.66 121.20 127.98 1jak s ILE 105 Ca -0.08 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.07 1jak s ILE 105 Cb -0.15 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1jak s ILE 105 CO -0.01 0.37 -0.18 -0.89 0.00 0.00 0.00 174.94 174.24 1jak s THR 106 N 1.47 2.75 0.24 2.92 2.01 0.07 -1.16 115.64 123.94 1jak s THR 106 Ca 0.05 -0.83 -0.18 0.00 0.31 0.00 0.00 61.69 61.04 1jak s THR 106 Cb -0.15 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.32 1jak s THR 106 CO -0.03 0.58 0.59 0.00 -0.69 0.00 0.00 174.62 175.08 1jak s ALA 107 N -0.53 -0.87 0.01 7.40 0.00 -0.69 -0.54 121.76 126.54 1jak s ALA 107 Ca 0.07 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.63 1jak s ALA 107 Cb -0.11 0.92 -0.25 0.00 0.00 0.00 0.00 23.12 23.67 1jak s ALA 107 CO 0.01 -0.92 0.87 0.00 0.00 0.00 0.00 175.76 175.72 1jak h ARG 108 N 2.13 0.13 -4.97 0.00 3.08 -1.77 0.24 114.38 113.22 1jak h ARG 108 Ca -0.24 -0.23 -0.33 0.00 0.07 0.00 0.00 59.98 59.25 1jak h ARG 108 Cb 1.26 0.09 -0.15 0.00 0.08 0.00 0.00 29.97 31.25 1jak h ARG 108 CO 0.31 0.93 -0.68 0.15 -1.07 0.00 0.00 179.97 179.61 1jak s LYS 109 N -2.63 1.16 0.38 0.04 1.02 -1.26 -4.63 119.74 113.81 1jak s LYS 109 Ca -0.06 -1.55 0.11 0.00 0.02 0.00 0.00 55.97 54.48 1jak s LYS 109 Cb 0.08 -0.49 0.88 0.00 -0.52 0.00 0.00 37.83 37.78 1jak s LYS 109 CO 0.83 -0.05 1.89 0.00 -0.92 0.00 0.00 175.35 177.11 1jak h ALA 110 N 2.65 1.90 -0.47 5.17 0.00 -1.92 0.20 119.26 126.80 1jak h ALA 110 Ca -0.37 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1jak h ALA 110 Cb 1.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1jak h ALA 110 CO 0.64 -0.12 0.29 0.00 0.00 0.00 0.00 179.25 180.06 1jak h ALA 111 N 1.61 1.63 -0.32 0.00 0.00 -1.94 0.42 119.26 120.65 1jak h ALA 111 Ca 0.41 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1jak h ALA 111 Cb 0.70 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1jak h ALA 111 CO -0.17 0.33 -0.19 0.78 0.00 0.00 0.00 179.25 180.00 1jak h GLY 112 N 0.66 0.76 1.01 0.00 0.00 -1.08 -1.15 103.07 103.28 1jak h GLY 112 Ca 0.17 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1jak h GLY 112 CO -0.03 0.64 0.37 1.41 0.00 0.00 0.00 176.54 178.93 1jak h LEU 113 N 0.47 0.89 -0.53 3.11 3.38 -1.11 -0.47 115.31 121.05 1jak h LEU 113 Ca 0.07 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1jak h LEU 113 Cb 0.73 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1jak h LEU 113 CO 0.05 0.75 0.35 0.15 0.09 0.00 0.00 178.44 179.83 1jak h PHE 114 N 0.97 0.66 -0.38 1.13 3.57 -0.76 -0.77 116.94 121.36 1jak h PHE 114 Ca 0.25 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 1jak h PHE 114 Cb 0.07 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1jak h PHE 114 CO -0.00 0.41 -0.07 0.45 -2.23 0.00 0.00 178.31 176.87 1jak h HIS 115 N 0.71 0.69 -0.56 0.41 3.86 -0.84 -1.96 115.15 117.46 1jak h HIS 115 Ca 0.20 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1jak h HIS 115 Cb -0.07 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.18 1jak h HIS 115 CO -0.04 0.70 0.20 0.78 0.86 0.00 0.00 177.93 180.43 1jak h GLY 116 N 0.95 0.88 1.11 2.45 0.00 -0.28 -1.94 103.07 106.23 1jak h GLY 116 Ca 0.11 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1jak h GLY 116 CO 0.03 0.43 0.20 -2.08 0.00 0.00 0.00 176.54 175.12 1jak h VAL 117 N 0.80 1.26 -0.13 4.60 2.07 -0.46 -0.70 116.25 123.70 1jak h VAL 117 Ca 0.19 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1jak h VAL 117 Cb 0.19 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1jak h VAL 117 CO -0.01 0.36 -0.05 1.56 0.02 0.00 0.00 177.57 179.45 1jak h GLN 118 N 1.06 0.19 -0.05 1.57 1.08 -0.71 -1.12 115.11 117.12 1jak h GLN 118 Ca 0.23 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.24 1jak h GLN 118 Cb 0.33 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1jak h GLN 118 CO -0.00 0.25 -0.59 1.15 -0.95 0.00 0.00 178.83 178.69 1jak h THR 119 N 0.18 1.39 -0.84 -0.54 2.02 -0.99 -3.28 112.91 110.84 1jak h THR 119 Ca 0.04 -1.97 0.07 0.00 0.77 0.00 0.00 66.41 65.32 1jak h THR 119 Cb 0.21 2.39 -0.06 0.00 -1.74 0.00 0.00 68.15 68.94 1jak h THR 119 CO 0.01 0.59 0.51 0.25 0.37 0.00 0.00 175.52 177.25 1jak h LEU 120 N 0.04 0.79 -1.54 2.58 5.85 -0.38 -0.88 115.31 121.76 1jak h LEU 120 Ca -0.06 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1jak h LEU 120 Cb 1.27 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1jak h LEU 120 CO 0.12 0.49 0.00 0.08 -0.34 0.00 0.00 178.44 178.79 1jak h ARG 121 N 0.91 0.00 0.00 1.25 0.11 -1.30 -1.48 114.38 113.88 1jak h ARG 121 Ca 0.38 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.39 1jak h ARG 121 Cb 0.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 1jak h ARG 121 CO -0.19 0.00 -1.28 1.04 0.10 0.00 0.00 179.97 179.63 1jak n GLN 122 N -2.68 0.62 0.09 0.08 6.02 -0.39 -3.89 117.38 117.22 1jak n GLN 122 Ca -0.00 0.12 -0.07 0.00 -0.01 0.00 0.00 57.00 57.04 1jak n GLN 122 Cb 0.19 -1.78 -0.03 0.00 1.02 0.00 0.00 30.24 29.63 1jak n GLN 122 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1jak h LEU 123 N 0.00 0.12-10.33 1.08 3.38 -0.71 -3.45 115.31 105.41 1jak h LEU 123 Ca -0.07 -0.11 -0.51 0.00 0.09 0.00 0.00 57.88 57.28 1jak h LEU 123 Cb 1.24 -0.04 0.11 0.00 0.09 0.00 0.00 40.66 42.06 1jak h LEU 123 CO 0.02 0.96 0.34 -0.76 0.09 0.00 0.00 178.44 179.09 1jak s LEU 124 N -7.15 3.02 0.75 1.67 1.43 -0.80 -4.29 118.68 113.31 1jak s LEU 124 Ca -0.01 1.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.66 1jak s LEU 124 Cb 0.10 -4.45 0.04 0.00 0.03 0.00 0.00 46.19 41.92 1jak s LEU 124 CO 0.82 -1.77 1.08 -2.16 0.23 0.00 0.00 176.35 174.55 1jak s PRO 125 N -4.99 2.44 0.52 1.29 0.04 -1.26 -4.93 135.00 128.11 1jak s PRO 125 Ca 0.60 1.12 0.30 0.00 0.04 0.00 0.00 61.00 63.05 1jak s PRO 125 Cb -0.15 -1.92 1.43 0.00 0.04 0.00 0.00 34.50 33.90 1jak s PRO 125 CO 0.55 -1.50 1.89 -1.35 0.04 0.00 0.00 177.00 176.64 1jak h PRO 126 N -0.99 0.04 -0.03 0.56 0.11 -1.83 -0.61 132.00 129.25 1jak h PRO 126 Ca -0.44 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.68 1jak h PRO 126 Cb 1.23 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1jak h PRO 126 CO 0.53 0.03 0.14 0.00 -0.21 0.00 0.00 178.00 178.49 1jak h ALA 127 N 1.57 1.26 0.00 -0.75 0.00 -1.75 -1.21 119.26 118.38 1jak h ALA 127 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1jak h ALA 127 Cb 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1jak h ALA 127 CO -0.03 -0.16 0.00 -0.24 0.00 0.00 0.00 179.25 178.83 1jak h VAL 128 N 0.00 0.00 0.00 0.00 3.04 -1.42 -1.77 116.25 116.10 1jak h VAL 128 Ca 0.01 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1jak h VAL 128 Cb 0.30 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1jak h VAL 128 CO -0.00 0.00 -0.16 -0.62 -1.01 0.00 0.00 177.57 175.78 1jak n GLU 129 N -2.82 0.21 -1.49 4.17 -0.58 -0.46 -4.57 120.64 115.10 1jak n GLU 129 Ca -0.02 0.14 -0.32 0.00 -0.42 0.00 0.00 57.16 56.54 1jak n GLU 129 Cb 0.11 -1.71 0.07 0.00 -0.57 0.00 0.00 31.44 29.34 1jak n GLU 129 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1jak s LYS 130 N -3.09 2.53 0.00 3.49 -0.14 -0.67 -4.48 119.74 117.38 1jak s LYS 130 Ca 0.10 1.25 0.23 0.00 -1.36 0.00 0.00 55.97 56.19 1jak s LYS 130 Cb 0.14 -1.92 0.10 0.00 -1.68 0.00 0.00 37.83 34.47 1jak s LYS 130 CO 0.62 -1.45 1.13 -0.40 -0.76 0.00 0.00 175.35 174.49 1jak n ASP 131 N -3.02 0.83 -4.46 2.83 5.68 -1.26 -2.97 116.55 114.17 1jak n ASP 131 Ca 0.10 -0.71 -0.28 0.00 -0.50 0.00 0.00 54.79 53.40 1jak n ASP 131 Cb 0.53 0.65 -0.11 0.00 -1.14 0.00 0.00 41.12 41.05 1jak n ASP 131 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1jak s SER 132 N -2.97 3.66 0.13 -1.12 1.04 -1.25 -4.54 113.70 108.64 1jak s SER 132 Ca 0.10 -0.74 -0.35 0.00 0.48 0.00 0.00 55.95 55.44 1jak s SER 132 Cb 0.17 -0.39 -0.15 0.00 0.10 0.00 0.00 66.02 65.74 1jak s SER 132 CO 0.78 0.14 1.43 0.00 0.98 0.00 0.00 173.24 176.57 1jak n ALA 133 N 0.40 0.07 -2.47 5.32 0.00 -1.03 -4.28 120.51 118.51 1jak n ALA 133 Ca -0.13 0.48 -0.26 0.00 0.00 0.00 0.00 53.44 53.53 1jak n ALA 133 Cb 0.55 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.70 1jak n ALA 133 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jak s GLN 134 N 0.59 1.69 0.57 0.00 -1.52 0.20 -4.99 119.66 116.20 1jak s GLN 134 Ca 0.81 -1.54 0.35 0.00 -1.95 0.00 0.00 55.36 53.03 1jak s GLN 134 Cb -0.83 -1.90 1.58 0.00 -0.22 0.00 0.00 33.01 31.64 1jak s GLN 134 CO 0.43 0.39 2.07 -1.35 -0.25 0.00 0.00 175.29 176.58 1jak h PRO 135 N 2.86 0.00 0.00 2.91 0.11 -1.94 -3.44 132.00 132.49 1jak h PRO 135 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jak h PRO 135 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1jak h PRO 135 CO 0.53 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.76 1jak n GLY 136 N -0.27 0.55 3.77 -0.55 0.00 -1.26 -4.71 105.19 102.72 1jak n GLY 136 Ca -0.00 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 1jak n GLY 136 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jak s PRO 137 N 0.00 3.69 -1.23 1.61 0.02 -1.26 -4.80 135.00 133.03 1jak s PRO 137 Ca 0.00 1.77 -0.08 0.00 0.02 0.00 0.00 61.00 62.72 1jak s PRO 137 Cb 0.00 -2.36 0.20 0.00 0.02 0.00 0.00 34.50 32.36 1jak s PRO 137 CO 0.00 -0.61 1.82 0.91 -0.33 0.00 0.00 177.00 178.79 1jak n TRP 138 N -0.59 2.72 -3.32 6.54 7.02 -1.26 -4.68 117.44 123.86 1jak n TRP 138 Ca 0.08 -2.73 -0.36 0.00 -1.02 0.00 0.00 57.50 53.47 1jak n TRP 138 Cb 0.48 -1.75 -0.06 0.00 -2.42 0.00 0.00 31.31 27.56 1jak n TRP 138 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1jak s LEU 139 N -1.01 4.38 -0.19 -0.99 1.43 -1.26 -1.26 118.68 119.79 1jak s LEU 139 Ca 0.38 1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 54.61 1jak s LEU 139 Cb 0.09 -3.19 0.05 0.00 0.03 0.00 0.00 46.19 43.18 1jak s LEU 139 CO 0.02 0.14 -0.01 -0.69 0.23 0.00 0.00 176.35 176.04 1jak s VAL 140 N -1.38 0.93 0.25 -1.59 1.01 0.05 -4.16 120.40 115.51 1jak s VAL 140 Ca 0.36 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 1jak s VAL 140 Cb -0.16 -1.27 -0.16 0.00 0.00 0.00 0.00 36.38 34.79 1jak s VAL 140 CO 0.19 -0.07 0.59 0.00 0.00 0.00 0.00 175.10 175.81 1jak n ALA 141 N 4.91 -2.22 -1.86 5.51 0.00 -1.26 -0.98 120.51 124.60 1jak n ALA 141 Ca -0.10 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 1jak n ALA 141 Cb 0.47 -1.70 -0.07 0.00 0.00 0.00 0.00 19.45 18.15 1jak n ALA 141 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jak s GLY 142 N -0.90 2.46 0.00 0.00 0.00 -1.25 -4.68 107.32 102.94 1jak s GLY 142 Ca 0.62 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1jak s GLY 142 CO 0.58 0.67 0.00 0.61 0.00 0.00 0.00 173.10 174.95 1jak n GLY 143 N -0.36 0.90 3.02 0.20 0.00 -0.33 -1.61 105.19 107.00 1jak n GLY 143 Ca 0.05 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 1jak n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jak s THR 144 N -2.13 0.82 -0.10 2.61 2.01 -0.28 -0.82 115.64 117.75 1jak s THR 144 Ca 0.00 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.63 1jak s THR 144 Cb 0.00 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.80 1jak s THR 144 CO 0.00 0.25 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.34 1jak s ILE 145 N 0.04 1.80 -0.16 1.82 1.01 0.02 -0.27 121.20 125.46 1jak s ILE 145 Ca -0.01 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.79 1jak s ILE 145 Cb -0.07 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.84 1jak s ILE 145 CO 0.00 0.50 -0.20 -1.61 0.00 0.00 0.00 174.94 173.64 1jak s GLU 146 N 0.50 2.88 -0.03 2.79 2.02 -0.58 -0.04 118.70 126.24 1jak s GLU 146 Ca -0.16 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.04 1jak s GLU 146 Cb -0.17 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.63 1jak s GLU 146 CO 0.06 -0.15 -0.02 0.34 0.02 0.00 0.00 175.26 175.51 1jak s ASP 147 N 1.16 0.52 0.03 -0.19 2.15 -0.26 -1.32 116.67 118.76 1jak s ASP 147 Ca 0.01 -0.06 -0.02 0.00 0.43 0.00 0.00 52.55 52.91 1jak s ASP 147 Cb -0.14 -0.23 -0.02 0.00 -0.30 0.00 0.00 42.92 42.23 1jak s ASP 147 CO -0.09 -0.06 0.02 0.42 -0.17 0.00 0.00 175.17 175.29 1jak s THR 148 N 0.75 0.13 0.32 1.71 -4.23 -1.26 -1.20 115.64 111.86 1jak s THR 148 Ca -0.08 -1.08 -0.22 0.00 -1.18 0.00 0.00 61.69 59.14 1jak s THR 148 Cb -0.11 -0.63 -0.09 0.00 1.34 0.00 0.00 72.50 73.00 1jak s THR 148 CO -0.01 -0.59 0.85 -2.16 -0.54 0.00 0.00 174.62 172.17 1jak s PRO 149 N -2.11 4.33 -0.02 3.99 0.04 -1.26 -4.69 135.00 135.28 1jak s PRO 149 Ca -0.10 1.06 -0.21 0.00 0.04 0.00 0.00 61.00 61.79 1jak s PRO 149 Cb -0.05 -2.64 -0.26 0.00 0.04 0.00 0.00 34.50 31.59 1jak s PRO 149 CO -0.03 0.23 1.02 -0.09 0.04 0.00 0.00 177.00 178.17 1jak h ARG 150 N 2.85 0.35 -6.79 4.56 2.43 -0.92 -3.46 114.38 113.39 1jak h ARG 150 Ca -0.48 -0.44 -0.68 0.00 -0.81 0.00 0.00 59.98 57.57 1jak h ARG 150 Cb 1.19 0.14 -0.23 0.00 -0.42 0.00 0.00 29.97 30.65 1jak h ARG 150 CO 0.64 1.14 -0.87 0.71 -1.51 0.00 0.00 179.97 180.08 1jak s TYR 151 N -2.93 2.25 -0.40 2.20 2.02 -0.56 -5.04 117.35 114.89 1jak s TYR 151 Ca -0.14 -0.39 0.23 0.00 -0.37 0.00 0.00 57.07 56.41 1jak s TYR 151 Cb 0.02 -1.25 0.18 0.00 -0.40 0.00 0.00 41.96 40.51 1jak s TYR 151 CO 0.82 0.29 1.23 0.00 -1.57 0.00 0.00 175.55 176.32 1jak h ALA 152 N 4.07 0.61 -2.56 3.71 0.00 -1.84 -3.43 119.26 119.83 1jak h ALA 152 Ca -0.50 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 53.68 1jak h ALA 152 Cb 1.17 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 1jak h ALA 152 CO 0.40 0.00 -0.37 -0.46 0.00 0.00 0.00 179.25 178.82 1jak s TRP 153 N -3.27 3.40 -0.40 0.00 -0.11 -0.69 -4.93 118.94 112.93 1jak s TRP 153 Ca 0.03 -1.77 0.02 0.00 1.22 0.00 0.00 56.10 55.60 1jak s TRP 153 Cb 0.10 -3.52 0.12 0.00 -1.50 0.00 0.00 33.47 28.67 1jak s TRP 153 CO 0.75 -0.99 0.19 1.03 -4.62 0.00 0.00 176.95 173.30 1jak s ARG 154 N 1.40 1.21 0.30 5.86 0.52 -1.26 -0.90 118.95 126.09 1jak s ARG 154 Ca 0.05 -1.80 0.09 0.00 -0.52 0.00 0.00 55.73 53.56 1jak s ARG 154 Cb -0.27 -2.40 -0.06 0.00 0.52 0.00 0.00 34.95 32.74 1jak s ARG 154 CO -0.00 -1.09 -0.12 -1.54 0.02 0.00 0.00 175.30 172.57 1jak s SER 155 N 0.68 3.42 -0.02 0.23 1.04 -0.62 -0.26 113.70 118.18 1jak s SER 155 Ca 0.15 -1.14 0.03 0.00 0.48 0.00 0.00 55.95 55.47 1jak s SER 155 Cb -0.22 -0.29 -0.00 0.00 0.10 0.00 0.00 66.02 65.61 1jak s SER 155 CO -0.07 -0.16 -0.11 0.00 0.98 0.00 0.00 173.24 173.88 1jak s ALA 156 N -2.69 0.97 -0.01 5.32 0.00 -0.91 -1.25 121.76 123.20 1jak s ALA 156 Ca 0.30 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.89 1jak s ALA 156 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1jak s ALA 156 CO 0.14 0.18 -0.12 1.41 0.00 0.00 0.00 175.76 177.38 1jak s MET 157 N 0.07 2.45 -0.10 0.00 1.75 -0.83 -1.00 119.30 121.64 1jak s MET 157 Ca -0.02 -0.75 0.03 0.00 -1.25 0.00 0.00 55.69 53.70 1jak s MET 157 Cb -0.08 -2.40 0.01 0.00 2.84 0.00 0.00 34.83 35.20 1jak s MET 157 CO 0.00 0.60 -0.18 -1.17 -0.65 0.00 0.00 175.02 173.63 1jak s LEU 158 N -1.13 1.86 -0.44 4.11 2.96 -0.39 -1.12 118.68 124.52 1jak s LEU 158 Ca 0.14 -0.45 -0.22 0.00 -0.22 0.00 0.00 54.13 53.38 1jak s LEU 158 Cb -0.11 -1.15 0.02 0.00 0.50 0.00 0.00 46.19 45.46 1jak s LEU 158 CO 0.04 0.08 0.74 -0.62 -1.32 0.00 0.00 176.35 175.27 1jak s ASP 159 N 0.65 6.39 -0.01 3.68 2.15 -0.81 -1.94 116.67 126.78 1jak s ASP 159 Ca -0.13 -0.18 0.15 0.00 0.43 0.00 0.00 52.55 52.82 1jak s ASP 159 Cb -0.16 -2.36 0.45 0.00 -0.30 0.00 0.00 42.92 40.54 1jak s ASP 159 CO 0.04 -0.87 1.37 1.33 -0.17 0.00 0.00 175.17 176.87 1jak n VAL 160 N 6.04 1.08 -0.07 1.11 0.24 -1.14 -4.43 118.33 121.16 1jak n VAL 160 Ca 0.01 -1.04 -0.22 0.00 -2.04 0.00 0.00 64.34 61.05 1jak n VAL 160 Cb 0.48 0.46 -0.12 0.00 -1.47 0.00 0.00 33.84 33.19 1jak n VAL 160 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1jak n SER 161 N 0.90 1.95 -0.08 -1.34 7.64 -1.22 -3.55 113.62 117.90 1jak n SER 161 Ca 0.17 0.35 -0.11 0.00 1.01 0.00 0.00 58.87 60.29 1jak n SER 161 Cb 0.53 -0.92 -0.04 0.00 -1.01 0.00 0.00 64.21 62.77 1jak n SER 161 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1jak h ARG 162 N -0.67 0.40 -4.11 1.43 -0.00 -1.87 -3.32 114.38 106.24 1jak h ARG 162 Ca -0.39 -0.09 -0.40 0.00 -0.50 0.00 0.00 59.98 58.59 1jak h ARG 162 Cb 1.55 -0.06 -0.33 0.00 0.00 0.00 0.00 29.97 31.13 1jak h ARG 162 CO -0.13 0.48 -0.77 -1.01 0.00 0.00 0.00 179.97 178.54 1jak s HIS 163 N -5.36 0.75 0.27 3.04 3.76 -1.26 -0.68 115.29 115.82 1jak s HIS 163 Ca -0.14 -0.20 -0.28 0.00 -0.15 0.00 0.00 55.06 54.29 1jak s HIS 163 Cb 0.08 -0.64 -0.09 0.00 1.11 0.00 0.00 32.58 33.04 1jak s HIS 163 CO 0.73 -0.16 0.95 0.12 -0.85 0.00 0.00 174.74 175.52 1jak s PHE 164 N 0.74 3.86 -0.08 1.40 5.36 -1.23 -4.28 117.98 123.74 1jak s PHE 164 Ca -0.10 1.86 0.01 0.00 -0.96 0.00 0.00 56.93 57.75 1jak s PHE 164 Cb -0.13 -2.97 0.02 0.00 -0.34 0.00 0.00 43.02 39.60 1jak s PHE 164 CO 0.00 0.34 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.93 1jak s PHE 165 N -1.35 1.53 1.11 10.12 0.40 -1.26 -5.02 117.98 123.51 1jak s PHE 165 Ca 0.45 -0.65 -0.16 0.00 -0.60 0.00 0.00 56.93 55.97 1jak s PHE 165 Cb -0.23 -1.16 0.24 0.00 0.51 0.00 0.00 43.02 42.38 1jak s PHE 165 CO 0.29 -0.37 1.11 0.20 0.70 0.00 0.00 175.22 177.15 1jak s GLY 166 N 1.00 1.58 0.19 4.36 0.00 -1.26 -4.67 107.32 108.51 1jak s GLY 166 Ca -0.08 -0.72 -0.16 0.00 0.00 0.00 0.00 44.72 43.76 1jak s GLY 166 CO -0.00 0.05 1.64 -2.08 0.00 0.00 0.00 173.10 172.70 1jak h VAL 167 N -2.25 0.45 -0.41 1.40 2.07 -1.97 -0.03 116.25 115.51 1jak h VAL 167 Ca -0.49 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1jak h VAL 167 Cb 1.31 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1jak h VAL 167 CO 0.45 0.00 0.13 0.44 0.02 0.00 0.00 177.57 178.61 1jak h ASP 168 N -0.03 0.54 0.40 0.57 3.32 -1.99 0.12 116.42 119.35 1jak h ASP 168 Ca 0.24 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.07 1jak h ASP 168 Cb 0.40 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1jak h ASP 168 CO -0.53 0.52 -0.66 -0.33 -1.72 0.00 0.00 179.24 176.51 1jak h GLU 169 N 0.59 0.24 -0.22 3.56 5.08 -1.60 -1.57 114.58 120.66 1jak h GLU 169 Ca 0.14 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 1jak h GLU 169 Cb 0.17 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1jak h GLU 169 CO -0.01 0.82 -0.56 0.28 -1.00 0.00 0.00 179.01 178.54 1jak h VAL 170 N 0.17 1.30 -0.74 3.13 2.07 -0.28 -1.87 116.25 120.03 1jak h VAL 170 Ca -0.01 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.69 1jak h VAL 170 Cb 1.20 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1jak h VAL 170 CO 0.10 0.57 0.35 0.11 0.02 0.00 0.00 177.57 178.72 1jak h LYS 171 N 0.51 1.06 -0.45 1.57 1.57 -0.61 0.11 116.57 120.34 1jak h LYS 171 Ca 0.01 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1jak h LYS 171 Cb 1.13 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1jak h LYS 171 CO 0.11 0.82 0.22 -0.09 -0.57 0.00 0.00 179.45 179.94 1jak h ARG 172 N 1.06 0.64 -0.33 3.15 2.43 -1.03 -1.06 114.38 119.23 1jak h ARG 172 Ca 0.26 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.24 1jak h ARG 172 Cb 0.11 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1jak h ARG 172 CO -0.03 0.54 -0.21 -0.92 -1.51 0.00 0.00 179.97 177.85 1jak h TYR 173 N 0.58 0.69 -0.62 2.20 3.20 -0.72 -1.97 116.97 120.33 1jak h TYR 173 Ca 0.15 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 61.91 1jak h TYR 173 Cb 0.11 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 1jak h TYR 173 CO -0.01 0.78 0.39 0.82 -1.64 0.00 0.00 178.16 178.50 1jak h ILE 174 N 0.55 1.08 -0.17 1.81 2.04 -0.40 -1.43 117.51 120.99 1jak h ILE 174 Ca 0.08 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 1jak h ILE 174 Cb 0.66 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1jak h ILE 174 CO 0.05 0.14 -0.20 0.44 0.00 0.00 0.00 178.15 178.58 1jak h ASP 175 N 0.76 0.27 -0.29 1.72 3.32 -0.72 -0.70 116.42 120.78 1jak h ASP 175 Ca 0.25 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1jak h ASP 175 Cb 0.01 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1jak h ASP 175 CO -0.10 0.49 0.12 0.03 -1.72 0.00 0.00 179.24 178.06 1jak h ARG 176 N 0.26 0.44 -0.00 3.56 2.47 -0.56 -3.14 114.38 117.41 1jak h ARG 176 Ca 0.05 -0.08 -0.16 0.00 -1.26 0.00 0.00 59.98 58.53 1jak h ARG 176 Cb 0.50 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 1jak h ARG 176 CO 0.03 0.45 -0.75 -0.39 0.56 0.00 0.00 179.97 179.88 1jak h VAL 177 N 0.32 1.52 -0.16 2.04 -1.51 -1.00 -3.17 116.25 114.29 1jak h VAL 177 Ca 0.10 -2.51 0.05 0.00 -1.23 0.00 0.00 66.70 63.10 1jak h VAL 177 Cb 0.18 2.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 1jak h VAL 177 CO -0.01 0.72 0.14 0.00 -1.23 0.00 0.00 177.57 177.19 1jak h ALA 178 N 1.22 1.98 -0.16 5.19 0.00 -1.08 -1.90 119.26 124.52 1jak h ALA 178 Ca -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1jak h ALA 178 Cb 1.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1jak h ALA 178 CO 0.10 -0.22 0.13 0.00 0.00 0.00 0.00 179.25 179.26 1jak h ARG 179 N 0.00 0.00 -0.34 0.00 3.08 -1.57 -2.94 114.38 112.60 1jak h ARG 179 Ca 0.08 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1jak h ARG 179 Cb 0.35 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1jak h ARG 179 CO -0.00 0.00 0.02 0.66 -1.07 0.00 0.00 179.97 179.58 1jak n TYR 180 N -4.30 1.18 -1.72 3.04 4.01 -0.71 -4.84 117.16 113.81 1jak n TYR 180 Ca 0.01 -1.05 -0.14 0.00 -0.16 0.00 0.00 57.90 56.56 1jak n TYR 180 Cb 0.25 -0.40 -0.04 0.00 -0.31 0.00 0.00 39.34 38.85 1jak n TYR 180 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1jak n LYS 181 N -0.56 -1.03 -2.02 -0.72 5.02 -1.11 -4.60 118.16 113.14 1jak n LYS 181 Ca 0.26 0.88 -0.36 0.00 -2.02 0.00 0.00 58.31 57.07 1jak n LYS 181 Cb 0.99 -5.04 0.03 0.00 -0.02 0.00 0.00 35.03 30.99 1jak n LYS 181 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1jak s TYR 182 N -2.59 2.39 0.00 2.13 2.02 -1.25 -4.94 117.35 115.12 1jak s TYR 182 Ca 0.00 1.51 0.00 0.00 -0.37 0.00 0.00 57.07 58.21 1jak s TYR 182 Cb 0.00 -3.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.08 1jak s TYR 182 CO 0.00 -2.21 0.52 0.27 -1.57 0.00 0.00 175.55 172.56 1jak n ASN 183 N -1.58 0.96 -3.93 2.29 6.94 0.64 -4.77 115.26 115.81 1jak n ASN 183 Ca 0.14 -1.22 -0.14 0.00 -0.02 0.00 0.00 54.58 53.34 1jak n ASN 183 Cb 0.50 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.78 1jak n ASN 183 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jak s LYS 184 N -0.22 0.26 -0.25 -3.83 1.02 -1.02 -0.71 119.74 114.99 1jak s LYS 184 Ca 0.00 -0.17 0.02 0.00 0.02 0.00 0.00 55.97 55.85 1jak s LYS 184 Cb 0.00 -0.22 0.06 0.00 -0.52 0.00 0.00 37.83 37.15 1jak s LYS 184 CO 0.00 0.06 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.23 1jak s LEU 185 N -0.22 3.17 -0.23 3.17 2.96 -0.14 -2.14 118.68 125.24 1jak s LEU 185 Ca -0.00 -1.33 -0.19 0.00 -0.22 0.00 0.00 54.13 52.38 1jak s LEU 185 Cb -0.02 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 1jak s LEU 185 CO -0.00 -0.21 0.57 -2.28 -1.32 0.00 0.00 176.35 173.12 1jak s HIS 186 N 1.19 3.31 -0.21 5.38 5.65 -0.17 -0.23 115.29 130.21 1jak s HIS 186 Ca -0.08 0.78 -0.04 0.00 0.25 0.00 0.00 55.06 55.97 1jak s HIS 186 Cb -0.20 -2.76 -0.01 0.00 -1.18 0.00 0.00 32.58 28.42 1jak s HIS 186 CO -0.05 -0.24 -0.02 -0.51 -0.65 0.00 0.00 174.74 173.26 1jak s LEU 187 N 2.17 3.03 -0.91 8.88 1.43 -0.34 -1.26 118.68 131.69 1jak s LEU 187 Ca 0.25 -0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 52.83 1jak s LEU 187 Cb -0.16 -1.77 0.12 0.00 0.03 0.00 0.00 46.19 44.41 1jak s LEU 187 CO 0.09 0.01 1.13 -2.28 0.23 0.00 0.00 176.35 175.52 1jak s HIS 188 N 1.33 3.05 -0.98 0.29 5.65 -0.82 -0.97 115.29 122.84 1jak s HIS 188 Ca 0.04 -1.29 0.29 0.00 0.25 0.00 0.00 55.06 54.35 1jak s HIS 188 Cb -0.14 -4.30 1.15 0.00 -1.18 0.00 0.00 32.58 28.11 1jak s HIS 188 CO -0.01 -1.52 1.88 1.28 -0.65 0.00 0.00 174.74 175.71 1jak n LEU 189 N 6.77 0.09 -3.72 8.88 4.77 -0.87 -2.87 117.00 130.05 1jak n LEU 189 Ca 0.22 0.46 -0.14 0.00 -0.03 0.00 0.00 56.01 56.52 1jak n LEU 189 Cb 0.49 -0.47 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 1jak n LEU 189 CO 0.52 0.00 0.10 -0.94 -1.33 0.00 0.00 177.39 175.75 1jak s SER 190 N -3.09 -0.32 0.00 -1.43 1.04 -1.24 -0.47 113.70 108.20 1jak s SER 190 Ca 0.14 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.92 1jak s SER 190 Cb 0.18 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1jak s SER 190 CO 0.55 -0.40 0.00 -0.67 0.98 0.00 0.00 173.24 173.70 1jak n ASP 191 N 1.59 0.00 0.10 7.02 -0.08 -0.51 -4.28 116.55 120.38 1jak n ASP 191 Ca -0.19 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.04 1jak n ASP 191 Cb 0.56 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.12 1jak n ASP 191 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1jak h ASP 192 N 0.00 0.16 -0.01 1.67 3.32 -1.91 -2.93 116.42 116.72 1jak h ASP 192 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1jak h ASP 192 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1jak h ASP 192 CO 0.00 0.79 -0.02 0.00 -1.72 0.00 0.00 179.24 178.30 1jak n GLN 193 N -3.78 1.79 0.00 3.56 3.00 -1.26 -3.07 117.38 117.62 1jak n GLN 193 Ca -0.02 -1.18 0.00 0.00 -0.01 0.00 0.00 57.00 55.79 1jak n GLN 193 Cb 0.67 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.43 1jak n GLN 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jak n GLY 194 N 1.23 1.41 3.19 1.08 0.00 -1.23 -3.71 105.19 107.15 1jak n GLY 194 Ca 0.17 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1jak n GLY 194 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1jak s TRP 195 N -1.92 2.95 -0.78 1.61 -0.11 -0.79 -1.43 118.94 118.47 1jak s TRP 195 Ca 0.00 -1.50 0.15 0.00 1.22 0.00 0.00 56.10 55.98 1jak s TRP 195 Cb 0.00 -2.01 0.53 0.00 -1.50 0.00 0.00 33.47 30.49 1jak s TRP 195 CO 0.00 -0.73 1.45 0.54 -4.62 0.00 0.00 176.95 173.59 1jak n ARG 196 N 4.67 3.23 -4.05 5.86 5.12 0.38 -3.66 116.66 128.21 1jak n ARG 196 Ca -0.18 -2.61 -0.20 0.00 -1.93 0.00 0.00 57.85 52.93 1jak n ARG 196 Cb 0.49 -1.68 -0.17 0.00 -1.16 0.00 0.00 32.46 29.94 1jak n ARG 196 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1jak s ILE 197 N -1.86 0.44 0.08 0.55 1.10 -1.26 -0.51 121.20 119.74 1jak s ILE 197 Ca 0.40 -0.04 -0.31 0.00 -0.51 0.00 0.00 60.65 60.18 1jak s ILE 197 Cb 0.27 -0.51 -0.08 0.00 0.15 0.00 0.00 42.46 42.29 1jak s ILE 197 CO 0.17 0.22 1.54 0.00 -2.11 0.00 0.00 174.94 174.76 1jak s ALA 198 N 1.12 3.66 -0.24 1.50 0.00 -0.62 -4.63 121.76 122.56 1jak s ALA 198 Ca -0.08 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1jak s ALA 198 Cb -0.14 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.38 1jak s ALA 198 CO -0.01 -0.92 -0.11 0.42 0.00 0.00 0.00 175.76 175.14 1jak s ILE 199 N 2.03 2.47 0.25 0.00 -1.09 -1.26 -4.71 121.20 118.89 1jak s ILE 199 Ca 0.69 -1.19 -0.05 0.00 -2.23 0.00 0.00 60.65 57.87 1jak s ILE 199 Cb -0.38 -2.27 0.25 0.00 -1.58 0.00 0.00 42.46 38.48 1jak s ILE 199 CO 0.30 0.21 1.90 0.44 -1.23 0.00 0.00 174.94 176.56 1jak h ASP 200 N 7.92 1.06 0.83 3.58 3.32 -1.96 -2.47 116.42 128.70 1jak h ASP 200 Ca -0.32 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1jak h ASP 200 Cb 1.09 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 1jak h ASP 200 CO 0.56 0.72 -0.06 0.77 -1.72 0.00 0.00 179.24 179.51 1jak h SER 201 N 1.23 0.00 -2.14 6.45 4.64 -1.95 -3.31 113.55 118.46 1jak h SER 201 Ca 0.39 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.13 1jak h SER 201 Cb -0.00 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.70 1jak h SER 201 CO -0.12 0.06 -1.00 0.79 -0.87 0.00 0.00 176.83 175.69 1jak n TRP 202 N -3.21 0.15 -0.27 4.77 7.02 -0.95 -5.01 117.44 119.95 1jak n TRP 202 Ca -0.00 -3.61 0.24 0.00 -1.02 0.00 0.00 57.50 53.11 1jak n TRP 202 Cb 0.30 -0.26 0.58 0.00 -2.42 0.00 0.00 31.31 29.51 1jak n TRP 202 CO 0.00 0.00 0.00 -1.35 -2.02 0.00 0.00 177.69 174.32 1jak h PRO 203 N 4.41 0.26 0.00 -0.99 0.11 -1.60 -2.33 132.00 131.86 1jak h PRO 203 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1jak h PRO 203 Cb 0.85 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1jak h PRO 203 CO 0.50 0.17 0.00 0.00 -0.21 0.00 0.00 178.00 178.46 1jak h ARG 204 N 0.27 0.00 -0.46 1.05 3.08 -1.92 -2.95 114.38 113.45 1jak h ARG 204 Ca 0.52 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.62 1jak h ARG 204 Cb 1.54 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.54 1jak h ARG 204 CO -0.16 0.00 0.18 -0.07 -1.07 0.00 0.00 179.97 178.85 1jak h LEU 205 N 0.00 0.22 0.01 3.04 3.38 -1.76 0.16 115.31 120.36 1jak h LEU 205 Ca 0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1jak h LEU 205 Cb 0.49 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jak h LEU 205 CO 0.00 0.16 -0.18 0.00 0.09 0.00 0.00 178.44 178.51 1jak h ALA 206 N 1.28 0.03 -0.17 1.53 0.00 -1.76 -0.99 119.26 119.19 1jak h ALA 206 Ca 0.21 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1jak h ALA 206 Cb 0.18 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jak h ALA 206 CO -0.19 0.10 -0.15 1.79 0.00 0.00 0.00 179.25 180.80 1jak h THR 207 N -0.97 1.20 0.00 0.00 1.35 -1.51 -1.94 112.91 111.03 1jak h THR 207 Ca -0.05 -0.87 -0.16 0.00 -0.55 0.00 0.00 66.41 64.78 1jak h THR 207 Cb 1.06 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1jak h THR 207 CO -0.02 0.27 -1.38 0.00 -0.25 0.00 0.00 175.52 174.14 1jak n TYR 208 N -4.25 0.00 0.30 4.73 9.36 0.46 -4.28 117.16 123.49 1jak n TYR 208 Ca -0.01 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.38 1jak n TYR 208 Cb 0.29 -0.47 0.97 0.00 -0.63 0.00 0.00 39.34 39.49 1jak n TYR 208 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1jak h GLY 209 N -0.60 0.00 -2.31 2.98 0.00 -0.11 -1.11 103.07 101.92 1jak h GLY 209 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1jak h GLY 209 CO -0.15 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.00 1jak n GLY 210 N -1.28 2.23 0.01 4.60 0.00 -0.73 -1.89 105.19 108.12 1jak n GLY 210 Ca -0.03 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.37 1jak n GLY 210 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jak n SER 211 N 1.40 0.05 -0.80 1.61 3.41 -0.42 -0.15 113.62 118.71 1jak n SER 211 Ca 0.20 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1jak n SER 211 Cb 0.58 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1jak n SER 211 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1jak n THR 212 N -1.56 0.00 -3.46 6.66 5.66 -1.26 -2.66 114.28 117.67 1jak n THR 212 Ca 0.04 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.00 1jak n THR 212 Cb 0.18 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.98 1jak n THR 212 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1jak n GLU 213 N 0.00 0.48 -1.68 1.09 0.28 -1.24 -4.22 120.64 115.35 1jak n GLU 213 Ca 0.00 -0.97 -0.45 0.00 -0.16 0.00 0.00 57.16 55.58 1jak n GLU 213 Cb 0.00 1.23 -0.03 0.00 1.43 0.00 0.00 31.44 34.07 1jak n GLU 213 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1jak n VAL 214 N -0.28 0.59 -0.22 3.84 0.31 0.15 -1.00 118.33 121.72 1jak n VAL 214 Ca -0.03 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1jak n VAL 214 Cb 0.28 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1jak n VAL 214 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jak n GLY 215 N 2.64 1.42 3.07 2.92 0.00 -0.54 -4.92 105.19 109.79 1jak n GLY 215 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1jak n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jak n GLY 216 N -2.00 -2.26 5.79 -0.02 0.00 -0.17 -5.08 105.19 101.45 1jak n GLY 216 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1jak n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jak n GLY 217 N -0.49 -2.06 3.73 -0.02 0.00 -1.26 -4.46 105.19 100.63 1jak n GLY 217 Ca 0.00 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 1jak n GLY 217 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jak n PRO 218 N -0.02 1.69 0.00 1.61 -0.02 -1.26 -4.06 135.00 132.93 1jak n PRO 218 Ca 0.00 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1jak n PRO 218 Cb 0.00 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 1jak n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jak n GLY 219 N 0.80 0.72 0.00 -1.23 0.00 -1.09 -4.38 105.19 100.02 1jak n GLY 219 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1jak n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jak n GLY 220 N 4.75 3.12 3.63 -0.02 0.00 0.78 -4.75 105.19 112.70 1jak n GLY 220 Ca 0.00 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 1jak n GLY 220 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jak s TYR 221 N -2.00 -0.22 -0.14 1.61 -0.85 -1.26 -4.65 117.35 109.84 1jak s TYR 221 Ca 0.00 0.01 -0.09 0.00 -0.52 0.00 0.00 57.07 56.47 1jak s TYR 221 Cb 0.00 0.58 -0.05 0.00 0.38 0.00 0.00 41.96 42.88 1jak s TYR 221 CO 0.00 -0.63 0.17 0.71 -1.52 0.00 0.00 175.55 174.28 1jak s TYR 222 N -3.11 3.53 0.85 -3.49 2.02 0.33 -4.97 117.35 112.52 1jak s TYR 222 Ca 0.09 0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 57.17 1jak s TYR 222 Cb -0.01 -2.09 0.10 0.00 -0.40 0.00 0.00 41.96 39.57 1jak s TYR 222 CO -0.03 0.52 1.13 0.95 -1.57 0.00 0.00 175.55 176.55 1jak s THR 223 N -0.37 2.32 0.24 -0.71 -4.23 -1.26 -1.59 115.64 110.04 1jak s THR 223 Ca 0.13 0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 60.69 1jak s THR 223 Cb -0.12 -2.92 0.22 0.00 1.34 0.00 0.00 72.50 71.01 1jak s THR 223 CO 0.03 -0.14 1.86 0.11 -0.54 0.00 0.00 174.62 175.94 1jak h LYS 224 N -1.27 0.97 -0.44 3.99 1.79 -1.98 -0.95 116.57 118.68 1jak h LYS 224 Ca -0.48 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 57.92 1jak h LYS 224 Cb 1.31 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 31.72 1jak h LYS 224 CO 0.62 0.64 0.24 0.00 -1.08 0.00 0.00 179.45 179.88 1jak h ALA 225 N 1.40 0.56 -0.68 3.86 0.00 -1.99 -0.06 119.26 122.36 1jak h ALA 225 Ca 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1jak h ALA 225 Cb 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1jak h ALA 225 CO -0.17 0.09 0.33 0.93 0.00 0.00 0.00 179.25 180.43 1jak h GLU 226 N 0.58 0.97 -0.60 0.00 5.08 -1.77 -1.29 114.58 117.56 1jak h GLU 226 Ca 0.16 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1jak h GLU 226 Cb 0.05 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1jak h GLU 226 CO -0.03 0.77 0.28 -0.92 -1.00 0.00 0.00 179.01 178.11 1jak h TYR 227 N 0.94 0.87 -0.83 4.33 3.20 -0.84 -1.19 116.97 123.44 1jak h TYR 227 Ca 0.23 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1jak h TYR 227 Cb 0.11 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 1jak h TYR 227 CO 0.00 0.67 0.55 0.87 -1.64 0.00 0.00 178.16 178.61 1jak h LYS 228 N 0.82 1.06 -0.46 1.82 1.57 -0.62 -1.05 116.57 119.71 1jak h LYS 228 Ca 0.20 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1jak h LYS 228 Cb 0.13 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1jak h LYS 228 CO -0.02 0.70 -0.15 1.49 -0.57 0.00 0.00 179.45 180.90 1jak h GLU 229 N 1.09 0.87 -0.47 3.15 4.57 -0.60 0.21 114.58 123.40 1jak h GLU 229 Ca 0.31 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1jak h GLU 229 Cb -0.08 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1jak h GLU 229 CO -0.08 0.96 0.13 0.82 -1.18 0.00 0.00 179.01 179.67 1jak h ILE 230 N 0.77 1.23 -0.72 2.32 2.04 -0.56 -0.12 117.51 122.47 1jak h ILE 230 Ca 0.12 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1jak h ILE 230 Cb 0.68 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1jak h ILE 230 CO 0.05 0.28 0.28 0.58 0.00 0.00 0.00 178.15 179.34 1jak h VAL 231 N 0.63 1.25 -0.28 1.67 2.07 -0.93 0.40 116.25 121.05 1jak h VAL 231 Ca 0.15 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1jak h VAL 231 Cb 0.30 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1jak h VAL 231 CO -0.00 0.32 0.06 -0.09 0.02 0.00 0.00 177.57 177.88 1jak h ARG 232 N 1.04 0.47 -0.45 1.57 2.43 -0.70 0.37 114.38 119.11 1jak h ARG 232 Ca 0.24 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1jak h ARG 232 Cb 0.23 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1jak h ARG 232 CO -0.02 0.56 0.19 -0.92 -1.51 0.00 0.00 179.97 178.28 1jak h TYR 233 N 0.29 0.68 -0.76 2.20 3.20 -0.83 -1.24 116.97 120.50 1jak h TYR 233 Ca 0.09 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1jak h TYR 233 Cb 0.32 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 1jak h TYR 233 CO 0.02 0.57 0.46 0.00 -1.64 0.00 0.00 178.16 177.57 1jak h ALA 234 N 1.04 0.97 -0.74 1.82 0.00 -0.78 -2.15 119.26 119.42 1jak h ALA 234 Ca 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1jak h ALA 234 Cb 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1jak h ALA 234 CO -0.01 0.44 0.42 0.00 0.00 0.00 0.00 179.25 180.09 1jak h ALA 235 N 1.25 1.35 0.00 0.00 0.00 -0.46 0.95 119.26 122.35 1jak h ALA 235 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jak h ALA 235 Cb -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1jak h ALA 235 CO -0.05 0.54 0.00 0.66 0.00 0.00 0.00 179.25 180.40 1jak h SER 236 N 1.03 0.00 -0.43 0.00 4.64 -0.60 -0.16 113.55 118.03 1jak h SER 236 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1jak h SER 236 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jak h SER 236 CO -0.05 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.45 1jak n ARG 237 N -2.52 3.39 -3.79 4.77 3.00 -0.19 -4.97 116.66 116.35 1jak n ARG 237 Ca 0.01 -2.72 -0.25 0.00 -0.01 0.00 0.00 57.85 54.89 1jak n ARG 237 Cb 0.24 -1.78 0.03 0.00 0.00 0.00 0.00 32.46 30.95 1jak n ARG 237 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1jak n HIS 238 N 0.35 -2.09 -4.26 -1.55 8.25 -0.07 -4.92 115.22 110.92 1jak n HIS 238 Ca 0.21 0.87 -0.33 0.00 -0.26 0.00 0.00 57.72 58.21 1jak n HIS 238 Cb 0.82 -4.24 -0.16 0.00 1.12 0.00 0.00 29.99 27.54 1jak n HIS 238 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1jak s LEU 239 N -6.94 2.19 -0.19 2.41 1.43 0.15 -4.49 118.68 113.24 1jak s LEU 239 Ca 0.28 -0.61 -0.24 0.00 -1.03 0.00 0.00 54.13 52.53 1jak s LEU 239 Cb -0.14 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 1jak s LEU 239 CO 0.82 0.02 0.78 -0.70 0.23 0.00 0.00 176.35 177.50 1jak s GLU 240 N 1.16 4.25 -0.09 1.70 2.12 0.11 -3.44 118.70 124.52 1jak s GLU 240 Ca 0.02 0.90 -0.29 0.00 0.36 0.00 0.00 54.97 55.95 1jak s GLU 240 Cb -0.14 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 1jak s GLU 240 CO -0.09 -0.34 0.98 0.08 -0.54 0.00 0.00 175.26 175.35 1jak s VAL 241 N 2.23 4.81 -0.42 3.70 1.01 -1.26 -0.97 120.40 129.51 1jak s VAL 241 Ca 0.35 2.01 -0.03 0.00 0.00 0.00 0.00 61.98 64.31 1jak s VAL 241 Cb -0.16 -4.30 0.11 0.00 0.00 0.00 0.00 36.38 32.03 1jak s VAL 241 CO 0.11 0.04 0.22 -0.69 0.00 0.00 0.00 175.10 174.78 1jak s VAL 242 N 1.78 3.34 0.38 2.92 1.01 0.68 -4.59 120.40 125.92 1jak s VAL 242 Ca 0.48 -2.06 -0.22 0.00 0.00 0.00 0.00 61.98 60.17 1jak s VAL 242 Cb -0.19 -3.28 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 1jak s VAL 242 CO 0.20 -0.70 0.93 -2.16 0.00 0.00 0.00 175.10 173.37 1jak s PRO 243 N 1.13 4.35 -0.07 2.72 0.04 -1.26 -1.19 135.00 140.71 1jak s PRO 243 Ca 0.08 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1jak s PRO 243 Cb -0.23 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 31.89 1jak s PRO 243 CO -0.04 0.10 -0.12 -2.00 0.04 0.00 0.00 177.00 174.98 1jak s GLU 244 N -2.73 1.71 -0.30 4.56 2.12 -0.14 -1.12 118.70 122.79 1jak s GLU 244 Ca 0.57 -0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.52 1jak s GLU 244 Cb -0.13 -1.42 0.08 0.00 0.26 0.00 0.00 34.13 32.93 1jak s GLU 244 CO 0.17 0.02 -0.01 0.42 -0.54 0.00 0.00 175.26 175.33 1jak s ILE 245 N 0.69 2.08 0.17 -3.70 -1.09 -0.78 -2.05 121.20 116.52 1jak s ILE 245 Ca -0.14 -1.96 -0.30 0.00 -2.23 0.00 0.00 60.65 56.01 1jak s ILE 245 Cb -0.16 -2.41 -0.08 0.00 -1.58 0.00 0.00 42.46 38.23 1jak s ILE 245 CO 0.03 -0.38 1.33 -0.62 -1.23 0.00 0.00 174.94 174.07 1jak s ASP 246 N 1.06 6.88 -0.01 3.58 -1.08 -1.26 -4.17 116.67 121.66 1jak s ASP 246 Ca 0.03 2.37 -0.27 0.00 -0.52 0.00 0.00 52.55 54.16 1jak s ASP 246 Cb -0.19 -2.60 0.06 0.00 -1.46 0.00 0.00 42.92 38.73 1jak s ASP 246 CO -0.08 -0.56 0.61 0.00 0.52 0.00 0.00 175.17 175.66 1jak s MET 247 N 0.25 1.03 0.00 4.34 0.23 -0.80 -4.61 119.30 119.74 1jak s MET 247 Ca 0.59 0.07 0.27 0.00 -1.03 0.00 0.00 55.69 55.60 1jak s MET 247 Cb -0.36 0.48 0.96 0.00 -1.53 0.00 0.00 34.83 34.38 1jak s MET 247 CO 0.36 -0.34 1.71 -0.35 -2.03 0.00 0.00 175.02 174.37 1jak n PRO 248 N 0.76 0.30 -2.53 3.16 -0.04 -1.26 -2.27 135.00 133.13 1jak n PRO 248 Ca -0.19 -0.12 -0.24 0.00 -0.04 0.00 0.00 63.50 62.91 1jak n PRO 248 Cb 0.58 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.64 1jak n PRO 248 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jak s GLY 249 N -2.78 1.77 -1.46 0.55 0.00 -1.26 -1.47 107.32 102.66 1jak s GLY 249 Ca 0.19 -1.59 -0.10 0.00 0.00 0.00 0.00 44.72 43.22 1jak s GLY 249 CO 0.56 -1.06 0.96 1.42 0.00 0.00 0.00 173.10 174.99 1jak n HIS 250 N -2.83 -2.32 -0.72 1.90 8.25 -1.26 -4.81 115.22 113.43 1jak n HIS 250 Ca 0.14 0.91 0.07 0.00 -0.26 0.00 0.00 57.72 58.58 1jak n HIS 250 Cb 0.60 -4.23 0.13 0.00 1.12 0.00 0.00 29.99 27.61 1jak n HIS 250 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1jak n THR 251 N -4.65 1.66 -0.25 1.59 -2.24 -1.26 -3.63 114.28 105.51 1jak n THR 251 Ca -0.03 -1.78 0.06 0.00 -2.27 0.00 0.00 64.05 60.02 1jak n THR 251 Cb 0.56 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 69.09 1jak n THR 251 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1jak h ASN 252 N 0.48 0.78 -0.94 3.42 -1.24 -1.79 -1.20 115.58 115.09 1jak h ASN 252 Ca 0.00 0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.07 1jak h ASN 252 Cb 0.93 -0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.76 1jak h ASN 252 CO 0.04 0.50 0.60 0.00 -1.29 0.00 0.00 177.43 177.28 1jak h ALA 253 N 1.56 1.28 -0.11 1.57 0.00 -1.44 0.34 119.26 122.46 1jak h ALA 253 Ca 0.36 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1jak h ALA 253 Cb 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1jak h ALA 253 CO -0.13 0.41 -0.26 0.00 0.00 0.00 0.00 179.25 179.27 1jak h ALA 254 N 1.41 0.18 -0.73 0.00 0.00 -1.64 -2.98 119.26 115.50 1jak h ALA 254 Ca 0.39 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jak h ALA 254 Cb 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1jak h ALA 254 CO -0.15 0.18 0.48 -0.07 0.00 0.00 0.00 179.25 179.69 1jak h LEU 255 N -0.07 0.83 -1.13 0.00 3.38 -0.69 -1.40 115.31 116.23 1jak h LEU 255 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1jak h LEU 255 Cb 0.87 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1jak h LEU 255 CO 0.06 0.59 -0.12 0.00 0.09 0.00 0.00 178.44 179.06 1jak h ALA 256 N 1.55 1.00 0.00 1.53 0.00 -0.36 -3.15 119.26 119.83 1jak h ALA 256 Ca 0.27 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 1jak h ALA 256 Cb -0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1jak h ALA 256 CO -0.06 0.15 -1.21 0.77 0.00 0.00 0.00 179.25 178.90 1jak h SER 257 N 0.00 0.00 -3.04 0.00 0.02 -1.11 -3.44 113.55 105.98 1jak h SER 257 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 1jak h SER 257 Cb 0.69 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.83 1jak h SER 257 CO 0.02 0.80 -0.77 -0.31 -1.14 0.00 0.00 176.83 175.43 1jak s TYR 258 N -2.78 0.88 0.33 3.45 1.51 -0.92 -4.89 117.35 114.93 1jak s TYR 258 Ca -0.01 -1.07 0.09 0.00 -1.01 0.00 0.00 57.07 55.08 1jak s TYR 258 Cb 0.09 -1.15 0.85 0.00 -0.11 0.00 0.00 41.96 41.63 1jak s TYR 258 CO 0.80 -0.76 1.77 0.00 -1.11 0.00 0.00 175.55 176.26 1jak h ALA 259 N 8.28 1.81 -0.10 3.71 0.00 -1.86 -1.81 119.26 129.29 1jak h ALA 259 Ca -0.17 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1jak h ALA 259 Cb 1.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1jak h ALA 259 CO 0.41 -0.21 0.13 1.05 0.00 0.00 0.00 179.25 180.63 1jak h GLU 260 N 0.65 0.00 0.00 0.00 4.11 -1.91 -1.55 114.58 115.88 1jak h GLU 260 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.02 1jak h GLU 260 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1jak h GLU 260 CO -0.38 0.00 0.00 1.28 0.07 0.00 0.00 179.01 179.98 1jak n LEU 261 N -3.68 0.68 -4.79 3.06 4.77 -0.68 -4.82 117.00 111.54 1jak n LEU 261 Ca -0.01 0.60 -0.38 0.00 -0.03 0.00 0.00 56.01 56.19 1jak n LEU 261 Cb 0.23 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1jak n LEU 261 CO 0.26 -0.31 0.41 0.20 -1.33 0.00 0.00 177.39 176.61 1jak s ASN 262 N -4.28 7.23 0.41 -1.43 0.01 -0.58 -3.26 114.94 113.03 1jak s ASN 262 Ca 0.08 1.49 0.13 0.00 -0.71 0.00 0.00 52.86 53.85 1jak s ASN 262 Cb 0.12 -2.44 0.98 0.00 0.41 0.00 0.00 41.25 40.31 1jak s ASN 262 CO 0.51 0.19 1.92 0.00 -1.51 0.00 0.00 177.10 178.21 1jak n ASP 264 N -4.49 3.61 -0.69 0.00 5.75 -1.26 -4.94 116.55 114.52 1jak n ASP 264 Ca 0.14 -1.99 -0.09 0.00 -0.01 0.00 0.00 54.79 52.84 1jak n ASP 264 Cb 0.48 -0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 40.11 1jak n ASP 264 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jak n GLY 265 N 1.57 1.00 3.24 6.12 0.00 0.36 -4.99 105.19 112.49 1jak n GLY 265 Ca 0.22 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1jak n GLY 265 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jak s VAL 266 N -2.08 2.25 0.03 1.61 1.01 -1.24 -4.53 120.40 117.44 1jak s VAL 266 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 1jak s VAL 266 Cb 0.00 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1jak s VAL 266 CO 0.00 0.55 1.21 0.00 0.00 0.00 0.00 175.10 176.86 1jak s ALA 267 N 0.39 3.42 0.83 5.51 0.00 -1.26 -4.76 121.76 125.89 1jak s ALA 267 Ca -0.16 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 1jak s ALA 267 Cb -0.17 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.57 1jak s ALA 267 CO 0.07 -0.53 1.10 -2.14 0.00 0.00 0.00 175.76 174.26 1jak s PRO 268 N 1.39 1.81 0.88 0.00 0.02 -1.26 -4.94 135.00 132.90 1jak s PRO 268 Ca 0.58 0.67 -0.12 0.00 0.02 0.00 0.00 61.00 62.15 1jak s PRO 268 Cb -0.28 -1.88 0.12 0.00 0.02 0.00 0.00 34.50 32.47 1jak s PRO 268 CO 0.27 -1.82 1.09 -2.14 -0.33 0.00 0.00 177.00 174.08 1jak s PRO 269 N -5.10 1.41 0.43 5.54 0.02 -1.26 -4.32 135.00 131.71 1jak s PRO 269 Ca 0.62 0.74 -0.25 0.00 0.02 0.00 0.00 61.00 62.13 1jak s PRO 269 Cb -0.15 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.45 1jak s PRO 269 CO 0.55 -2.12 1.30 -0.51 -0.33 0.00 0.00 177.00 175.89 1jak s LEU 270 N -6.12 4.14 -0.18 -5.54 1.43 -1.26 -4.82 118.68 106.33 1jak s LEU 270 Ca 0.63 2.63 -0.08 0.00 -1.03 0.00 0.00 54.13 56.28 1jak s LEU 270 Cb -0.17 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 1jak s LEU 270 CO 0.56 -0.96 0.08 -0.47 0.23 0.00 0.00 176.35 175.79 1jak s TYR 271 N -1.30 3.29 0.00 0.29 5.04 -1.26 -4.97 117.35 118.45 1jak s TYR 271 Ca 0.60 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 1jak s TYR 271 Cb -0.37 -2.09 0.00 0.00 0.35 0.00 0.00 41.96 39.85 1jak s TYR 271 CO 0.47 0.20 0.87 0.25 -1.34 0.00 0.00 175.55 176.00 1jak n THR 272 N 3.49 0.75 -1.12 4.34 -2.24 -1.26 -4.16 114.28 114.07 1jak n THR 272 Ca -0.16 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 1jak n THR 272 Cb 0.52 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1jak n THR 272 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jak n GLY 273 N -0.37 -0.45 0.31 3.38 0.00 -1.26 -1.46 105.19 105.34 1jak n GLY 273 Ca 0.00 -1.75 0.06 0.00 0.00 0.00 0.00 46.02 44.34 1jak n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jak n THR 274 N -1.31 1.20 -2.56 2.61 -2.24 -1.26 -4.78 114.28 105.94 1jak n THR 274 Ca 0.00 -1.53 -0.22 0.00 -2.27 0.00 0.00 64.05 60.02 1jak n THR 274 Cb 0.00 0.06 0.05 0.00 -2.10 0.00 0.00 70.33 68.34 1jak n THR 274 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jak s LYS 275 N -1.83 2.35 0.06 -0.78 1.02 -1.26 -5.09 119.74 114.21 1jak s LYS 275 Ca 0.22 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.44 1jak s LYS 275 Cb 0.20 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1jak s LYS 275 CO 0.00 -0.91 -0.00 0.14 -0.92 0.00 0.00 175.35 173.66 1jak s VAL 276 N -2.90 0.21 0.00 3.17 -7.23 -1.26 -4.94 120.40 107.44 1jak s VAL 276 Ca 0.59 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1jak s VAL 276 Cb -0.10 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.32 1jak s VAL 276 CO 0.40 -0.94 0.00 0.61 -0.31 0.00 0.00 175.10 174.86 1jak n GLY 277 N 0.08 0.74 0.01 2.32 0.00 -1.26 -4.96 105.19 102.13 1jak n GLY 277 Ca -0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1jak n GLY 277 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1jak n PHE 278 N -2.00 0.09 -4.03 1.61 1.16 -1.26 -2.87 117.46 110.16 1jak n PHE 278 Ca 0.00 0.03 -0.28 0.00 -1.87 0.00 0.00 57.45 55.33 1jak n PHE 278 Cb 0.00 -0.25 -0.05 0.00 -1.61 0.00 0.00 39.48 37.56 1jak n PHE 278 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1jak s SER 279 N -3.27 5.78 -0.27 5.98 1.04 -1.26 -4.82 113.70 116.88 1jak s SER 279 Ca 0.08 0.01 -0.23 0.00 0.48 0.00 0.00 55.95 56.30 1jak s SER 279 Cb 0.16 -1.61 0.08 0.00 0.10 0.00 0.00 66.02 64.76 1jak s SER 279 CO 0.76 0.10 0.75 -0.55 0.98 0.00 0.00 173.24 175.29 1jak s SER 280 N -2.87 -0.77 0.75 7.02 0.15 -1.26 -4.00 113.70 112.73 1jak s SER 280 Ca 0.32 1.40 -0.11 0.00 0.70 0.00 0.00 55.95 58.25 1jak s SER 280 Cb -0.11 1.39 0.05 0.00 -1.71 0.00 0.00 66.02 65.64 1jak s SER 280 CO 0.25 -0.24 1.09 -0.76 1.20 0.00 0.00 173.24 174.78 1jak s LEU 281 N 0.70 3.08 -0.61 3.45 1.43 -0.54 -4.82 118.68 121.37 1jak s LEU 281 Ca -0.02 1.83 -0.22 0.00 -1.03 0.00 0.00 54.13 54.69 1jak s LEU 281 Cb -0.05 -4.52 0.07 0.00 0.03 0.00 0.00 46.19 41.72 1jak s LEU 281 CO -0.05 -1.95 0.87 0.00 0.23 0.00 0.00 176.35 175.45 1jak h VAL 283 N 5.96 0.93 -0.22 0.00 2.07 -1.93 -2.42 116.25 120.64 1jak h VAL 283 Ca -0.28 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1jak h VAL 283 Cb 1.08 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1jak h VAL 283 CO 1.13 0.04 0.00 0.47 0.02 0.00 0.00 177.57 179.22 1jak n ASP 284 N -4.47 1.24 -4.50 0.57 8.00 -1.26 -4.85 116.55 111.27 1jak n ASP 284 Ca 0.04 -2.01 -0.33 0.00 0.71 0.00 0.00 54.79 53.20 1jak n ASP 284 Cb 0.28 -0.17 -0.12 0.00 -0.02 0.00 0.00 41.12 41.09 1jak n ASP 284 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1jak s LYS 285 N -1.70 3.00 0.23 -1.24 1.02 -0.91 -5.02 119.74 115.11 1jak s LYS 285 Ca 0.15 -0.60 -0.06 0.00 0.02 0.00 0.00 55.97 55.48 1jak s LYS 285 Cb 0.08 -2.61 0.21 0.00 -0.52 0.00 0.00 37.83 34.99 1jak s LYS 285 CO 0.10 0.49 1.76 -0.44 -0.92 0.00 0.00 175.35 176.34 1jak h ASP 286 N 5.82 0.99 -0.31 2.83 3.32 -1.88 -2.78 116.42 124.41 1jak h ASP 286 Ca -0.40 -0.19 0.09 0.00 0.02 0.00 0.00 57.03 56.55 1jak h ASP 286 Cb 1.18 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1jak h ASP 286 CO 0.54 0.94 0.26 1.62 -1.72 0.00 0.00 179.24 180.88 1jak h VAL 287 N 1.01 0.68 -0.80 -1.35 3.04 -1.94 -1.86 116.25 115.03 1jak h VAL 287 Ca 0.22 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.99 1jak h VAL 287 Cb 0.32 0.81 -0.07 0.00 -2.01 0.00 0.00 31.29 30.35 1jak h VAL 287 CO -0.00 0.00 0.47 0.74 -1.01 0.00 0.00 177.57 177.77 1jak h THR 288 N 0.00 0.96 0.00 3.17 2.02 -1.77 -0.83 112.91 116.46 1jak h THR 288 Ca 0.15 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 1jak h THR 288 Cb 0.66 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1jak h THR 288 CO -0.00 0.15 -0.46 1.88 0.37 0.00 0.00 175.52 177.46 1jak h TYR 289 N 0.83 0.00 -0.24 3.16 0.05 -1.50 -1.55 116.97 117.72 1jak h TYR 289 Ca 0.37 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 59.02 1jak h TYR 289 Cb 0.27 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 1jak h TYR 289 CO -0.06 0.46 -0.35 -0.44 -1.05 0.00 0.00 178.16 176.73 1jak h ASP 290 N 0.00 0.72 0.13 3.88 3.32 -1.35 -1.56 116.42 121.55 1jak h ASP 290 Ca -0.00 -0.51 -0.00 0.00 0.02 0.00 0.00 57.03 56.53 1jak h ASP 290 Cb 1.25 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1jak h ASP 290 CO 0.06 1.09 -0.08 0.15 -1.72 0.00 0.00 179.24 178.74 1jak h PHE 291 N 0.36 -0.20 -0.70 4.55 3.57 -1.08 -0.85 116.94 122.59 1jak h PHE 291 Ca 0.02 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1jak h PHE 291 Cb 0.93 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 1jak h PHE 291 CO 0.08 -0.13 0.43 0.28 -2.23 0.00 0.00 178.31 176.75 1jak h VAL 292 N -0.20 1.20 -0.46 1.41 2.07 -1.28 -1.23 116.25 117.75 1jak h VAL 292 Ca -0.01 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1jak h VAL 292 Cb 0.17 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1jak h VAL 292 CO 0.01 0.20 0.19 -0.78 0.02 0.00 0.00 177.57 177.21 1jak h ASP 293 N 0.95 0.64 -0.27 0.57 1.82 -1.11 -0.59 116.42 118.42 1jak h ASP 293 Ca 0.25 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1jak h ASP 293 Cb -0.05 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 39.78 1jak h ASP 293 CO -0.05 0.63 0.18 0.44 -1.61 0.00 0.00 179.24 178.83 1jak h ASP 294 N 0.60 0.32 -0.06 2.28 3.32 -0.81 -0.48 116.42 121.59 1jak h ASP 294 Ca 0.15 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1jak h ASP 294 Cb 0.19 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1jak h ASP 294 CO -0.01 0.25 0.01 0.58 -1.72 0.00 0.00 179.24 178.34 1jak h VAL 295 N 0.36 1.22 -0.54 -1.35 2.07 -1.08 -1.89 116.25 115.04 1jak h VAL 295 Ca 0.10 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1jak h VAL 295 Cb -0.03 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1jak h VAL 295 CO -0.02 0.18 0.17 0.40 0.02 0.00 0.00 177.57 178.32 1jak h ILE 296 N -0.15 1.21 -0.33 4.57 2.04 -1.08 -0.45 117.51 123.33 1jak h ILE 296 Ca 0.02 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1jak h ILE 296 Cb 0.28 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1jak h ILE 296 CO 0.00 0.28 0.08 1.23 0.00 0.00 0.00 178.15 179.73 1jak h GLY 297 N 0.94 0.56 1.49 5.37 0.00 -0.99 0.13 103.07 110.57 1jak h GLY 297 Ca 0.18 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 1jak h GLY 297 CO -0.01 0.33 -0.35 0.83 0.00 0.00 0.00 176.54 177.34 1jak h GLU 298 N 0.37 0.58 -0.33 4.80 5.08 -1.06 -2.59 114.58 121.42 1jak h GLU 298 Ca 0.10 -0.27 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 1jak h GLU 298 Cb 0.30 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1jak h GLU 298 CO 0.00 0.84 -0.38 1.25 -1.00 0.00 0.00 179.01 179.72 1jak h LEU 299 N 0.48 0.91 -1.27 1.33 5.85 -0.95 -3.04 115.31 118.62 1jak h LEU 299 Ca 0.05 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1jak h LEU 299 Cb 0.84 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1jak h LEU 299 CO 0.07 1.21 0.37 0.00 -0.34 0.00 0.00 178.44 179.75 1jak h ALA 300 N 0.73 1.45 0.00 1.25 0.00 -0.88 -1.70 119.26 120.11 1jak h ALA 300 Ca 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jak h ALA 300 Cb 0.98 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1jak h ALA 300 CO 0.09 0.47 -0.11 0.00 0.00 0.00 0.00 179.25 179.70 1jak h ALA 301 N 1.53 1.55 -0.02 0.00 0.00 -1.35 -1.83 119.26 119.14 1jak h ALA 301 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jak h ALA 301 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jak h ALA 301 CO -0.04 0.14 -0.05 1.28 0.00 0.00 0.00 179.25 180.58 1jak n LEU 302 N -4.03 2.36 -4.17 0.00 4.77 -0.68 -4.83 117.00 110.43 1jak n LEU 302 Ca -0.02 -0.79 -0.38 0.00 -0.03 0.00 0.00 56.01 54.79 1jak n LEU 302 Cb 0.20 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1jak n LEU 302 CO 0.32 0.40 -0.12 -0.89 -1.33 0.00 0.00 177.39 175.77 1jak s THR 303 N -2.06 3.66 -0.24 -5.08 2.01 -0.69 -4.88 115.64 108.37 1jak s THR 303 Ca 0.30 -1.89 0.28 0.00 0.31 0.00 0.00 61.69 60.70 1jak s THR 303 Cb 0.20 -3.44 0.34 0.00 0.01 0.00 0.00 72.50 69.62 1jak s THR 303 CO 0.34 -0.68 1.82 1.55 -0.69 0.00 0.00 174.62 176.96 1jak h PRO 304 N 8.21 0.00 -7.28 4.92 0.13 -1.88 -3.45 132.00 132.65 1jak h PRO 304 Ca -0.17 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.50 1jak h PRO 304 Cb 1.06 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.37 1jak h PRO 304 CO 0.75 0.00 0.15 0.20 -0.23 0.00 0.00 178.00 178.87 1jak s GLY 305 N -4.00 1.58 0.40 1.56 0.00 -1.26 -4.97 107.32 100.63 1jak s GLY 305 Ca 0.04 -0.14 0.23 0.00 0.00 0.00 0.00 44.72 44.85 1jak s GLY 305 CO 0.55 0.46 1.54 3.21 0.00 0.00 0.00 173.10 178.87 1jak h ARG 306 N -2.06 0.00 -6.36 2.90 3.08 -1.88 -3.48 114.38 106.58 1jak h ARG 306 Ca -0.55 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 58.89 1jak h ARG 306 Cb 1.32 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.25 1jak h ARG 306 CO 0.53 0.00 -0.67 0.71 -1.07 0.00 0.00 179.97 179.47 1jak s TYR 307 N -3.23 2.80 -0.08 3.04 2.02 -1.26 -0.42 117.35 120.22 1jak s TYR 307 Ca 0.06 -0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 56.58 1jak s TYR 307 Cb 0.06 -1.36 0.04 0.00 -0.40 0.00 0.00 41.96 40.30 1jak s TYR 307 CO 0.68 0.51 0.10 -1.17 -1.57 0.00 0.00 175.55 174.11 1jak s LEU 308 N -2.89 0.12 -0.20 -1.29 1.98 -0.54 -4.45 118.68 111.40 1jak s LEU 308 Ca 0.27 -0.01 -0.20 0.00 -2.89 0.00 0.00 54.13 51.30 1jak s LEU 308 Cb -0.09 -0.04 -0.03 0.00 0.66 0.00 0.00 46.19 46.69 1jak s LEU 308 CO 0.18 -0.27 0.58 -2.28 -1.89 0.00 0.00 176.35 172.66 1jak s HIS 309 N 2.20 3.38 -1.41 5.38 5.65 -0.27 -1.65 115.29 128.56 1jak s HIS 309 Ca 0.04 0.86 0.16 0.00 0.25 0.00 0.00 55.06 56.37 1jak s HIS 309 Cb -0.13 -2.74 0.47 0.00 -1.18 0.00 0.00 32.58 29.01 1jak s HIS 309 CO -0.05 -0.14 1.39 0.44 -0.65 0.00 0.00 174.74 175.74 1jak n ILE 310 N 4.61 1.02 0.00 0.89 -5.35 0.02 -1.86 119.36 118.69 1jak n ILE 310 Ca -0.03 -1.01 0.00 0.00 -0.27 0.00 0.00 62.75 61.44 1jak n ILE 310 Cb 0.50 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 1jak n ILE 310 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jak n GLY 311 N 1.05 3.48 0.00 3.28 0.00 -1.26 -1.90 105.19 109.84 1jak n GLY 311 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1jak n GLY 311 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jak n GLY 312 N 0.00 0.79 3.85 -0.02 0.00 -0.96 -0.74 105.19 108.10 1jak n GLY 312 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1jak n GLY 312 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jak s ASP 313 N -2.10 6.70 -1.63 1.61 -4.77 -1.26 -4.41 116.67 110.82 1jak s ASP 313 Ca 0.00 1.33 -0.08 0.00 -3.30 0.00 0.00 52.55 50.50 1jak s ASP 313 Cb 0.00 -2.40 0.08 0.00 -1.09 0.00 0.00 42.92 39.51 1jak s ASP 313 CO 0.00 -0.33 0.32 -0.62 0.70 0.00 0.00 175.17 175.24 1jak n GLU 314 N -0.84 -1.59 -1.75 2.11 1.02 -1.26 -4.63 120.64 113.71 1jak n GLU 314 Ca 0.04 0.19 -0.36 0.00 -0.02 0.00 0.00 57.16 57.02 1jak n GLU 314 Cb 0.54 -4.22 -0.03 0.00 -0.02 0.00 0.00 31.44 27.71 1jak n GLU 314 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jak n ALA 315 N -4.40 6.83 0.56 0.62 0.00 -1.26 -4.04 120.51 118.82 1jak n ALA 315 Ca -0.17 -3.68 0.07 0.00 0.00 0.00 0.00 53.44 49.67 1jak n ALA 315 Cb 0.61 -2.71 0.34 0.00 0.00 0.00 0.00 19.45 17.69 1jak n ALA 315 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jak n HIS 316 N 1.85 0.00 -0.38 0.00 8.25 -1.24 -1.67 115.22 122.04 1jak n HIS 316 Ca 0.61 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 58.16 1jak n HIS 316 Cb 0.34 -0.47 0.27 0.00 1.12 0.00 0.00 29.99 31.25 1jak n HIS 316 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1jak n SER 317 N -1.47 3.74 -4.15 0.41 7.64 -1.14 -4.83 113.62 113.83 1jak n SER 317 Ca 0.04 -2.12 -0.34 0.00 1.01 0.00 0.00 58.87 57.46 1jak n SER 317 Cb 0.17 -0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 62.81 1jak n SER 317 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jak s THR 318 N -1.23 2.82 0.31 0.44 2.01 -0.67 -4.82 115.64 114.49 1jak s THR 318 Ca 0.40 -1.43 -0.27 0.00 0.31 0.00 0.00 61.69 60.69 1jak s THR 318 Cb 0.23 -2.62 -0.13 0.00 0.01 0.00 0.00 72.50 69.98 1jak s THR 318 CO 0.25 -0.09 1.02 -2.65 -0.69 0.00 0.00 174.62 172.46 1jak n PRO 319 N 4.58 1.40 -0.27 4.92 -0.02 -1.26 -4.58 135.00 139.76 1jak n PRO 319 Ca -0.13 0.49 0.03 0.00 -2.02 0.00 0.00 63.50 61.87 1jak n PRO 319 Cb 0.43 -1.89 0.11 0.00 -0.02 0.00 0.00 33.50 32.13 1jak n PRO 319 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1jak h LYS 320 N 1.96 0.02 -0.64 -0.52 1.63 -1.98 0.12 116.57 117.16 1jak h LYS 320 Ca -0.41 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.37 1jak h LYS 320 Cb 1.34 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.93 1jak h LYS 320 CO 0.60 0.01 0.31 0.00 -3.45 0.00 0.00 179.45 176.92 1jak h ALA 321 N 1.78 1.34 -0.19 5.00 0.00 -2.00 -1.49 119.26 123.70 1jak h ALA 321 Ca 0.39 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1jak h ALA 321 Cb 0.63 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1jak h ALA 321 CO -0.79 0.51 -0.51 -0.44 0.00 0.00 0.00 179.25 178.02 1jak h ASP 322 N 0.90 0.59 -0.24 0.00 3.32 -1.19 -1.65 116.42 118.16 1jak h ASP 322 Ca 0.22 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1jak h ASP 322 Cb 0.09 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1jak h ASP 322 CO -0.03 1.00 0.14 0.15 -1.72 0.00 0.00 179.24 178.78 1jak h PHE 323 N 0.42 0.32 -0.38 4.55 3.57 -0.37 0.21 116.94 125.26 1jak h PHE 323 Ca 0.02 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1jak h PHE 323 Cb 1.04 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 1jak h PHE 323 CO 0.04 0.25 0.20 0.28 -2.23 0.00 0.00 178.31 176.85 1jak h VAL 324 N 0.29 1.16 -0.58 1.41 2.07 -1.21 -0.87 116.25 118.51 1jak h VAL 324 Ca 0.08 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1jak h VAL 324 Cb 0.03 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1jak h VAL 324 CO -0.02 0.16 0.36 0.00 0.02 0.00 0.00 177.57 178.10 1jak h ALA 325 N 1.06 0.74 -0.02 1.67 0.00 -1.03 -1.11 119.26 120.56 1jak h ALA 325 Ca 0.13 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1jak h ALA 325 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jak h ALA 325 CO -0.02 0.21 -0.02 0.35 0.00 0.00 0.00 179.25 179.78 1jak h PHE 326 N 0.79 -0.04 -0.16 0.00 3.57 -0.27 -2.10 116.94 118.73 1jak h PHE 326 Ca 0.21 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1jak h PHE 326 Cb -0.03 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1jak h PHE 326 CO -0.02 -0.03 -0.16 0.52 -2.23 0.00 0.00 178.31 176.38 1jak h MET 327 N -0.02 0.26 -0.49 1.11 2.86 -0.98 -0.01 114.93 117.67 1jak h MET 327 Ca 0.02 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1jak h MET 327 Cb 0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1jak h MET 327 CO -0.04 0.43 0.01 -0.22 1.06 0.00 0.00 176.91 178.16 1jak h LYS 328 N 0.25 0.80 0.14 1.72 1.63 -0.88 -2.08 116.57 118.16 1jak h LYS 328 Ca 0.05 -0.21 -0.29 0.00 -0.85 0.00 0.00 60.65 59.34 1jak h LYS 328 Cb 0.44 -0.10 0.02 0.00 -0.60 0.00 0.00 32.23 31.99 1jak h LYS 328 CO 0.03 0.80 -1.27 0.00 -3.45 0.00 0.00 179.45 175.56 1jak h ARG 329 N 0.75 0.45 0.02 1.90 3.08 -0.75 -3.39 114.38 116.44 1jak h ARG 329 Ca 0.15 -0.67 -0.28 0.00 0.07 0.00 0.00 59.98 59.25 1jak h ARG 329 Cb 0.44 0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 1jak h ARG 329 CO 0.02 1.30 -1.56 -0.39 -1.07 0.00 0.00 179.97 178.27 1jak h VAL 330 N 0.16 1.05 -0.71 2.04 -1.51 -0.98 -3.38 116.25 112.91 1jak h VAL 330 Ca -0.17 -2.85 0.12 0.00 -1.23 0.00 0.00 66.70 62.57 1jak h VAL 330 Cb 1.96 2.55 -0.08 0.00 -2.13 0.00 0.00 31.29 33.58 1jak h VAL 330 CO 0.23 0.64 0.29 1.56 -1.23 0.00 0.00 177.57 179.06 1jak h GLN 331 N 0.01 0.46 -0.08 5.19 4.20 -1.57 -0.59 115.11 122.72 1jak h GLN 331 Ca -0.23 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.48 1jak h GLN 331 Cb 1.96 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.64 1jak h GLN 331 CO 0.10 0.30 0.09 -1.35 -0.67 0.00 0.00 178.83 177.30 1jak h PRO 332 N 0.47 0.00 -0.32 1.46 0.11 -1.79 -1.87 132.00 130.07 1jak h PRO 332 Ca 0.38 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.45 1jak h PRO 332 Cb 0.52 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1jak h PRO 332 CO -0.35 0.00 0.06 0.82 -0.21 0.00 0.00 178.00 178.31 1jak h ILE 333 N 0.00 1.16 -0.23 4.15 2.04 -1.31 -0.52 117.51 122.80 1jak h ILE 333 Ca 0.04 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1jak h ILE 333 Cb 0.23 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1jak h ILE 333 CO -0.00 0.21 0.05 0.58 0.00 0.00 0.00 178.15 178.99 1jak h VAL 334 N 0.46 1.21 -0.21 1.67 2.07 -1.41 -2.67 116.25 117.36 1jak h VAL 334 Ca 0.11 -0.70 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 1jak h VAL 334 Cb 0.21 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1jak h VAL 334 CO -0.00 0.22 -0.20 0.00 0.02 0.00 0.00 177.57 177.61 1jak h ALA 335 N 0.87 1.26 -0.70 1.67 0.00 -1.53 -1.70 119.26 119.12 1jak h ALA 335 Ca 0.07 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1jak h ALA 335 Cb 0.29 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1jak h ALA 335 CO 0.00 0.49 0.47 -0.22 0.00 0.00 0.00 179.25 179.99 1jak h LYS 336 N 0.35 0.58 -0.76 0.00 3.64 -0.78 -0.16 116.57 119.45 1jak h LYS 336 Ca 0.06 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.19 1jak h LYS 336 Cb 0.56 -0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.12 1jak h LYS 336 CO 0.04 0.39 0.27 0.66 -2.27 0.00 0.00 179.45 178.54 1jak n TYR 337 N -4.49 2.49 -2.11 1.91 4.01 -0.88 -4.94 117.16 113.15 1jak n TYR 337 Ca 0.11 -1.19 -0.13 0.00 -0.16 0.00 0.00 57.90 56.53 1jak n TYR 337 Cb 0.33 -0.70 -0.02 0.00 -0.31 0.00 0.00 39.34 38.65 1jak n TYR 337 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jak n GLY 338 N -0.11 0.09 3.50 2.72 0.00 -0.07 -4.92 105.19 106.39 1jak n GLY 338 Ca 0.41 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1jak n GLY 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jak s LYS 339 N -4.41 1.71 -0.25 1.61 -0.14 -0.69 -5.00 119.74 112.58 1jak s LYS 339 Ca 0.00 -1.90 -0.11 0.00 -1.36 0.00 0.00 55.97 52.60 1jak s LYS 339 Cb 0.00 -1.37 -0.05 0.00 -1.68 0.00 0.00 37.83 34.73 1jak s LYS 339 CO 0.00 0.03 0.18 0.99 -0.76 0.00 0.00 175.35 175.79 1jak s THR 340 N -2.87 5.34 0.33 2.17 2.01 0.44 -3.58 115.64 119.48 1jak s THR 340 Ca 0.32 0.21 -0.27 0.00 0.31 0.00 0.00 61.69 62.26 1jak s THR 340 Cb 0.05 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 1jak s THR 340 CO 0.15 0.32 1.06 0.54 -0.69 0.00 0.00 174.62 176.00 1jak s VAL 341 N 1.24 3.64 0.02 3.82 0.11 -1.26 -1.47 120.40 126.50 1jak s VAL 341 Ca 0.08 1.47 0.03 0.00 -2.93 0.00 0.00 61.98 60.63 1jak s VAL 341 Cb -0.14 -3.86 -0.01 0.00 -1.53 0.00 0.00 36.38 30.83 1jak s VAL 341 CO 0.06 0.21 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.25 1jak s VAL 342 N -1.39 0.84 0.16 2.04 1.01 -0.66 -1.99 120.40 120.41 1jak s VAL 342 Ca 0.50 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1jak s VAL 342 Cb -0.27 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1jak s VAL 342 CO 0.34 0.04 0.35 -0.83 0.00 0.00 0.00 175.10 175.00 1jak s GLY 343 N -0.76 0.23 0.87 4.51 0.00 -0.88 -0.80 107.32 110.50 1jak s GLY 343 Ca 0.01 -0.62 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 1jak s GLY 343 CO 0.00 -0.64 1.09 -0.98 0.00 0.00 0.00 173.10 172.58 1jak s TRP 344 N -3.92 2.26 -0.96 1.90 0.52 0.08 0.31 118.94 119.13 1jak s TRP 344 Ca 0.13 1.41 0.01 0.00 0.02 0.00 0.00 56.10 57.67 1jak s TRP 344 Cb 0.02 -3.14 0.07 0.00 -1.15 0.00 0.00 33.47 29.27 1jak s TRP 344 CO -0.03 -2.34 1.04 -2.39 0.02 0.00 0.00 176.95 173.25 1jak n HIS 345 N -3.87 0.04 0.30 -1.98 1.44 0.69 -1.28 115.22 110.56 1jak n HIS 345 Ca 0.08 0.02 0.17 0.00 -2.01 0.00 0.00 57.72 55.98 1jak n HIS 345 Cb 0.54 -0.53 0.95 0.00 0.12 0.00 0.00 29.99 31.06 1jak n HIS 345 CO 0.00 0.00 0.00 1.96 -2.81 0.00 0.00 176.34 175.49 1jak h GLN 346 N 0.00 0.00 0.00 -1.40 7.50 -1.86 -0.34 115.11 119.01 1jak h GLN 346 Ca 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 1jak h GLN 346 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.53 1jak h GLN 346 CO 0.00 0.03 -0.08 1.25 -1.50 0.00 0.00 178.83 178.53 1jak h LEU 347 N 0.00 0.00 -2.30 1.46 5.85 -1.46 -1.75 115.31 117.11 1jak h LEU 347 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jak h LEU 347 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1jak h LEU 347 CO 0.00 0.08 0.00 0.00 -0.34 0.00 0.00 178.44 178.19 1jak h ALA 348 N 1.92 1.00 -0.48 1.25 0.00 -1.27 0.95 119.26 122.63 1jak h ALA 348 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jak h ALA 348 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jak h ALA 348 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1jak n GLY 349 N -0.76 1.57 2.49 0.00 0.00 -0.66 -4.27 105.19 103.56 1jak n GLY 349 Ca -0.02 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1jak n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jak n ALA 350 N 1.19 3.65 -3.24 4.61 0.00 0.33 -4.90 120.51 122.15 1jak n ALA 350 Ca 0.19 -3.21 -0.24 0.00 0.00 0.00 0.00 53.44 50.18 1jak n ALA 350 Cb 0.51 -0.64 0.02 0.00 0.00 0.00 0.00 19.45 19.34 1jak n ALA 350 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1jak n GLU 351 N -0.64 -2.07 -1.76 0.00 2.13 -1.24 -4.60 120.64 112.47 1jak n GLU 351 Ca 0.23 1.68 -0.41 0.00 0.66 0.00 0.00 57.16 59.31 1jak n GLU 351 Cb 0.87 -3.69 -0.00 0.00 0.27 0.00 0.00 31.44 28.89 1jak n GLU 351 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1jak n PRO 352 N -0.44 2.58 -1.56 5.31 -0.02 -1.25 -4.93 135.00 134.69 1jak n PRO 352 Ca -0.01 0.91 -0.30 0.00 -2.02 0.00 0.00 63.50 62.07 1jak n PRO 352 Cb 0.59 -2.62 0.09 0.00 -0.02 0.00 0.00 33.50 31.53 1jak n PRO 352 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1jak s VAL 353 N -0.97 3.16 0.32 -1.45 -7.23 -1.26 -4.93 120.40 108.03 1jak s VAL 353 Ca 0.55 0.38 -0.29 0.00 -1.81 0.00 0.00 61.98 60.80 1jak s VAL 353 Cb -0.50 -3.13 -0.12 0.00 0.56 0.00 0.00 36.38 33.20 1jak s VAL 353 CO 0.62 -0.49 1.48 1.21 -0.31 0.00 0.00 175.10 177.61 1jak n GLU 354 N -3.40 2.48 -0.01 4.82 2.13 -1.26 -1.88 120.64 123.53 1jak n GLU 354 Ca 0.07 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.77 1jak n GLU 354 Cb 0.56 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.68 1jak n GLU 354 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jak n GLY 355 N 1.44 2.08 3.77 8.31 0.00 -1.26 -4.98 105.19 114.55 1jak n GLY 355 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1jak n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jak s ALA 356 N -2.72 2.36 0.06 4.61 0.00 -0.79 -4.73 121.76 120.55 1jak s ALA 356 Ca 0.00 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.48 1jak s ALA 356 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1jak s ALA 356 CO 0.00 -1.51 -0.20 -0.51 0.00 0.00 0.00 175.76 173.54 1jak s LEU 357 N -5.32 2.21 0.03 0.00 1.02 -0.84 -2.23 118.68 113.55 1jak s LEU 357 Ca 0.65 -0.57 0.08 0.00 0.02 0.00 0.00 54.13 54.30 1jak s LEU 357 Cb -0.19 -0.91 -0.02 0.00 0.02 0.00 0.00 46.19 45.09 1jak s LEU 357 CO 0.48 0.11 -0.22 0.68 0.02 0.00 0.00 176.35 177.41 1jak s VAL 358 N -0.93 1.79 -0.38 -1.59 -7.23 -0.06 -2.07 120.40 109.92 1jak s VAL 358 Ca 0.06 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 58.94 1jak s VAL 358 Cb -0.09 -1.53 0.02 0.00 0.56 0.00 0.00 36.38 35.34 1jak s VAL 358 CO 0.03 0.32 0.24 -1.58 -0.31 0.00 0.00 175.10 173.79 1jak s GLN 359 N -1.02 2.92 -0.29 4.82 0.74 0.15 -1.26 119.66 125.73 1jak s GLN 359 Ca 0.09 -1.03 -0.27 0.00 0.05 0.00 0.00 55.36 54.20 1jak s GLN 359 Cb -0.09 -3.81 0.01 0.00 1.10 0.00 0.00 33.01 30.22 1jak s GLN 359 CO 0.01 -0.70 0.97 -0.47 -0.55 0.00 0.00 175.29 174.56 1jak s TYR 360 N 1.60 3.21 -0.19 1.67 5.04 0.45 -0.22 117.35 128.92 1jak s TYR 360 Ca 0.03 1.14 0.14 0.00 -2.44 0.00 0.00 57.07 55.94 1jak s TYR 360 Cb -0.19 -3.44 0.40 0.00 0.35 0.00 0.00 41.96 39.08 1jak s TYR 360 CO 0.08 -0.63 1.24 -2.67 -1.34 0.00 0.00 175.55 172.23 1jak n TRP 361 N 6.53 0.20 -1.03 4.97 4.27 -1.26 -0.90 117.44 130.23 1jak n TRP 361 Ca 0.09 -1.32 -0.23 0.00 -3.89 0.00 0.00 57.50 52.15 1jak n TRP 361 Cb 0.47 -0.26 0.19 0.00 -1.36 0.00 0.00 31.31 30.36 1jak n TRP 361 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1jak n GLY 362 N -1.18 -2.54 3.45 -1.67 0.00 -1.26 -2.44 105.19 99.54 1jak n GLY 362 Ca 0.20 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 1jak n GLY 362 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jak s LEU 363 N 0.00 1.96 0.24 0.99 1.02 -1.26 -1.93 118.68 119.71 1jak s LEU 363 Ca 0.56 -1.53 -0.04 0.00 0.02 0.00 0.00 54.13 53.13 1jak s LEU 363 Cb -0.05 -0.14 0.39 0.00 0.02 0.00 0.00 46.19 46.41 1jak s LEU 363 CO 0.42 -0.80 1.81 0.44 0.02 0.00 0.00 176.35 178.25 1jak h ASP 364 N 2.02 0.69 0.67 2.29 5.19 -1.98 -2.05 116.42 123.25 1jak h ASP 364 Ca -0.37 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1jak h ASP 364 Cb 1.26 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1jak h ASP 364 CO 0.61 0.40 0.00 -2.11 -3.12 0.00 0.00 179.24 175.02 1jak n ARG 365 N -4.73 0.19 -1.66 3.56 1.85 -1.26 -4.90 116.66 109.72 1jak n ARG 365 Ca 0.13 0.05 -0.44 0.00 -1.00 0.00 0.00 57.85 56.60 1jak n ARG 365 Cb 0.26 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.16 1jak n ARG 365 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1jak n THR 366 N -1.39 1.64 -1.68 8.89 -1.04 -0.77 -4.88 114.28 115.05 1jak n THR 366 Ca 0.09 -0.41 -0.39 0.00 -2.04 0.00 0.00 64.05 61.30 1jak n THR 366 Cb 0.25 -1.36 0.04 0.00 -1.82 0.00 0.00 70.33 67.44 1jak n THR 366 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jak n GLY 367 N 1.33 0.30 0.29 3.41 0.00 -1.26 -4.82 105.19 104.44 1jak n GLY 367 Ca 0.08 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1jak n GLY 367 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jak h ASP 368 N 1.16 0.19 -0.80 1.61 3.32 -1.97 -2.14 116.42 117.78 1jak h ASP 368 Ca -0.49 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 1jak h ASP 368 Cb 1.33 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.80 1jak h ASP 368 CO 0.55 0.13 0.35 0.00 -1.72 0.00 0.00 179.24 178.55 1jak h ALA 369 N 1.88 1.10 -0.21 3.45 0.00 -1.99 0.60 119.26 124.09 1jak h ALA 369 Ca 0.08 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1jak h ALA 369 Cb 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1jak h ALA 369 CO -0.02 0.66 -0.26 1.49 0.00 0.00 0.00 179.25 181.12 1jak h GLU 370 N 1.16 0.54 -0.82 0.00 4.81 -1.76 -1.95 114.58 116.56 1jak h GLU 370 Ca 0.27 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1jak h GLU 370 Cb 0.17 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1jak h GLU 370 CO -0.03 0.90 0.44 0.87 -0.73 0.00 0.00 179.01 180.46 1jak h LYS 371 N 0.22 1.15 -0.71 1.92 1.57 -1.25 -2.68 116.57 116.79 1jak h LYS 371 Ca 0.03 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1jak h LYS 371 Cb 0.82 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1jak h LYS 371 CO 0.06 0.86 0.39 0.00 -0.57 0.00 0.00 179.45 180.19 1jak h ALA 372 N 1.23 0.91 -0.95 3.86 0.00 -0.79 -0.61 119.26 122.91 1jak h ALA 372 Ca 0.29 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1jak h ALA 372 Cb 0.05 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1jak h ALA 372 CO -0.04 0.42 0.62 1.49 0.00 0.00 0.00 179.25 181.74 1jak h GLU 373 N 0.97 1.20 -0.12 0.00 4.81 -1.03 0.13 114.58 120.54 1jak h GLU 373 Ca 0.25 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.22 1jak h GLU 373 Cb 0.04 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 29.15 1jak h GLU 373 CO -0.04 0.80 -0.65 0.28 -0.73 0.00 0.00 179.01 178.66 1jak h VAL 374 N 1.24 1.32 -0.40 0.32 2.07 -1.22 -2.44 116.25 117.15 1jak h VAL 374 Ca 0.36 -1.91 -0.03 0.00 0.82 0.00 0.00 66.70 65.94 1jak h VAL 374 Cb -0.07 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1jak h VAL 374 CO -0.09 0.59 0.11 0.00 0.02 0.00 0.00 177.57 178.20 1jak h ALA 375 N 0.51 1.46 -0.49 1.67 0.00 -0.71 -1.41 119.26 120.28 1jak h ALA 375 Ca -0.05 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1jak h ALA 375 Cb 1.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1jak h ALA 375 CO 0.14 0.40 -0.17 1.49 0.00 0.00 0.00 179.25 181.11 1jak h GLU 376 N 0.57 0.98 -0.81 0.00 4.57 -0.70 -1.06 114.58 118.13 1jak h GLU 376 Ca 0.13 -0.40 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 1jak h GLU 376 Cb 0.19 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1jak h GLU 376 CO -0.01 1.07 0.41 0.00 -1.18 0.00 0.00 179.01 179.31 1jak h ALA 377 N 0.88 1.20 -0.58 2.92 0.00 -0.89 -0.67 119.26 122.12 1jak h ALA 377 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1jak h ALA 377 Cb 0.74 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1jak h ALA 377 CO 0.06 0.62 0.29 0.00 0.00 0.00 0.00 179.25 180.23 1jak h ALA 378 N 1.31 0.75 -0.15 0.00 0.00 -0.87 -0.54 119.26 119.75 1jak h ALA 378 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1jak h ALA 378 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jak h ALA 378 CO -0.04 0.30 -0.04 0.00 0.00 0.00 0.00 179.25 179.47 1jak h ARG 379 N 0.79 0.22 -0.03 0.00 3.08 -0.41 -1.86 114.38 116.17 1jak h ARG 379 Ca 0.20 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1jak h ARG 379 Cb 0.10 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1jak h ARG 379 CO -0.03 0.28 0.00 0.09 -1.07 0.00 0.00 179.97 179.24 1jak n ASN 380 N -4.37 0.28 0.00 7.04 3.02 -0.33 -4.87 115.26 116.03 1jak n ASN 380 Ca -0.01 -1.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 1jak n ASN 380 Cb 0.19 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1jak n ASN 380 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jak n GLY 381 N 0.81 0.49 3.72 7.41 0.00 -0.70 -5.05 105.19 111.86 1jak n GLY 381 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1jak n GLY 381 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jak s THR 382 N -2.00 4.19 0.40 2.61 2.01 -0.31 -4.75 115.64 117.79 1jak s THR 382 Ca 0.00 1.62 -0.24 0.00 0.31 0.00 0.00 61.69 63.37 1jak s THR 382 Cb 0.00 -4.04 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 1jak s THR 382 CO 0.00 0.15 1.07 -0.83 -0.69 0.00 0.00 174.62 174.32 1jak s GLY 383 N 0.86 2.77 -0.15 4.40 0.00 -0.95 -4.09 107.32 110.17 1jak s GLY 383 Ca 0.56 0.75 -0.02 0.00 0.00 0.00 0.00 44.72 46.02 1jak s GLY 383 CO 0.30 1.20 -0.09 1.08 0.00 0.00 0.00 173.10 175.59 1jak s LEU 384 N -2.60 2.91 -0.23 0.66 1.02 0.34 -0.89 118.68 119.89 1jak s LEU 384 Ca 0.57 -0.27 -0.04 0.00 0.02 0.00 0.00 54.13 54.42 1jak s LEU 384 Cb -0.24 -1.68 -0.00 0.00 0.02 0.00 0.00 46.19 44.29 1jak s LEU 384 CO 0.30 0.15 -0.04 -0.63 0.02 0.00 0.00 176.35 176.15 1jak s ILE 385 N 0.44 3.34 -0.26 -0.59 1.01 -0.38 -0.07 121.20 124.69 1jak s ILE 385 Ca -0.07 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 59.86 1jak s ILE 385 Cb -0.15 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1jak s ILE 385 CO 0.04 0.37 0.32 -0.76 0.00 0.00 0.00 174.94 174.91 1jak s LEU 386 N 1.46 4.06 -0.42 2.97 1.43 -0.28 -0.41 118.68 127.50 1jak s LEU 386 Ca 0.05 0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.48 1jak s LEU 386 Cb -0.15 -2.34 0.28 0.00 0.03 0.00 0.00 46.19 44.01 1jak s LEU 386 CO -0.03 -0.11 0.76 -1.54 0.23 0.00 0.00 176.35 175.66 1jak n SER 387 N 5.00 -0.84 -4.67 2.29 3.41 -0.07 -1.86 113.62 116.88 1jak n SER 387 Ca -0.10 -3.08 -0.45 0.00 -0.26 0.00 0.00 58.87 54.97 1jak n SER 387 Cb 0.51 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.82 1jak n SER 387 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1jak n PRO 388 N 1.03 2.06 0.29 4.33 -0.02 -1.21 -4.09 135.00 137.38 1jak n PRO 388 Ca 0.17 0.74 0.15 0.00 -2.02 0.00 0.00 63.50 62.53 1jak n PRO 388 Cb 0.61 -2.44 0.87 0.00 -0.02 0.00 0.00 33.50 32.52 1jak n PRO 388 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jak h ALA 389 N 4.93 1.36 -0.62 3.55 0.00 -1.04 0.10 119.26 127.54 1jak h ALA 389 Ca -0.45 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 1jak h ALA 389 Cb 1.27 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1jak h ALA 389 CO 0.81 0.06 0.12 -0.40 0.00 0.00 0.00 179.25 179.84 1jak n ASP 390 N -3.66 5.18 0.13 0.00 5.75 -1.26 -4.19 116.55 118.51 1jak n ASP 390 Ca -0.02 -3.08 0.00 0.00 -0.01 0.00 0.00 54.79 51.67 1jak n ASP 390 Cb 0.15 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 1jak n ASP 390 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jak n ARG 391 N 0.17 0.00 -0.16 0.11 5.12 -0.45 -4.78 116.66 116.68 1jak n ARG 391 Ca 0.33 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.30 1jak n ARG 391 Cb 1.26 -0.06 0.14 0.00 -1.16 0.00 0.00 32.46 32.64 1jak n ARG 391 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1jak n THR 392 N -3.46 0.96 -2.60 0.55 -2.24 -0.10 -4.26 114.28 103.12 1jak n THR 392 Ca 0.00 -0.98 -0.42 0.00 -2.27 0.00 0.00 64.05 60.38 1jak n THR 392 Cb 0.00 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 1jak n THR 392 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1jak s TYR 393 N -0.99 2.61 -1.02 4.78 1.51 -1.23 -3.07 117.35 119.93 1jak s TYR 393 Ca 0.21 0.37 0.13 0.00 -1.01 0.00 0.00 57.07 56.78 1jak s TYR 393 Cb 0.11 -4.49 0.58 0.00 -0.11 0.00 0.00 41.96 38.05 1jak s TYR 393 CO 0.15 -1.58 1.43 1.28 -1.11 0.00 0.00 175.55 175.71 1jak n LEU 394 N 8.39 0.00 -0.08 -1.29 4.77 0.08 -2.11 117.00 126.76 1jak n LEU 394 Ca 0.08 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.68 1jak n LEU 394 Cb 0.49 -0.49 0.44 0.00 -2.33 0.00 0.00 43.42 41.53 1jak n LEU 394 CO 0.71 -0.26 0.70 -0.90 -1.33 0.00 0.00 177.39 176.31 1jak n ASP 395 N -1.49 0.50 -4.74 -1.43 5.75 -1.26 -4.47 116.55 109.41 1jak n ASP 395 Ca 0.03 -0.33 -0.41 0.00 -0.01 0.00 0.00 54.79 54.08 1jak n ASP 395 Cb 0.15 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.20 1jak n ASP 395 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1jak s MET 396 N -2.75 4.67 0.56 0.11 1.75 -0.90 -0.63 119.30 122.12 1jak s MET 396 Ca 0.19 1.57 -0.21 0.00 -1.25 0.00 0.00 55.69 56.00 1jak s MET 396 Cb 0.19 -3.32 -0.04 0.00 2.84 0.00 0.00 34.83 34.49 1jak s MET 396 CO 0.57 0.20 1.32 1.63 -0.65 0.00 0.00 175.02 178.08 1jak n LYS 397 N 2.42 1.55 0.03 4.11 5.02 0.61 -4.71 118.16 127.19 1jak n LYS 397 Ca 0.02 0.57 -0.20 0.00 -2.02 0.00 0.00 58.31 56.69 1jak n LYS 397 Cb 0.48 -2.53 -0.10 0.00 -0.02 0.00 0.00 35.03 32.85 1jak n LYS 397 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1jak h TYR 398 N 1.23 0.99 -4.01 2.13 0.05 -1.91 -0.53 116.97 114.92 1jak h TYR 398 Ca -0.51 -0.53 -0.21 0.00 0.05 0.00 0.00 58.73 57.53 1jak h TYR 398 Cb 1.31 -0.11 -0.08 0.00 1.01 0.00 0.00 36.73 38.86 1jak h TYR 398 CO 0.44 1.37 -0.19 0.95 -1.05 0.00 0.00 178.16 179.68 1jak s THR 399 N -3.32 0.00 -0.12 -2.88 -4.23 -1.26 -3.76 115.64 100.07 1jak s THR 399 Ca -0.10 -1.56 0.26 0.00 -1.18 0.00 0.00 61.69 59.11 1jak s THR 399 Cb 0.06 -2.54 0.27 0.00 1.34 0.00 0.00 72.50 71.64 1jak s THR 399 CO 0.91 0.00 1.80 0.07 -0.54 0.00 0.00 174.62 176.86 1jak h LYS 400 N 2.18 0.00 -0.02 3.99 2.10 -2.00 -2.33 116.57 120.49 1jak h LYS 400 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1jak h LYS 400 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1jak h LYS 400 CO 0.39 0.00 -0.06 -0.25 -2.00 0.00 0.00 179.45 177.53 1jak n ASP 401 N -2.43 2.56 -4.69 7.07 8.00 -1.26 -4.94 116.55 120.85 1jak n ASP 401 Ca -0.01 -1.82 -0.42 0.00 0.71 0.00 0.00 54.79 53.25 1jak n ASP 401 Cb 0.10 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1jak n ASP 401 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jak s THR 402 N -2.07 2.47 -0.78 -3.53 2.01 -0.88 -4.88 115.64 107.99 1jak s THR 402 Ca 0.29 0.04 0.18 0.00 0.31 0.00 0.00 61.69 62.51 1jak s THR 402 Cb 0.20 -3.03 0.17 0.00 0.01 0.00 0.00 72.50 69.86 1jak s THR 402 CO 0.34 0.00 1.57 -0.81 -0.69 0.00 0.00 174.62 175.03 1jak n PRO 403 N 5.49 0.08 -4.41 4.92 -0.04 -1.26 -4.82 135.00 134.97 1jak n PRO 403 Ca 0.18 0.32 -0.22 0.00 -0.04 0.00 0.00 63.50 63.74 1jak n PRO 403 Cb 0.38 -1.65 -0.09 0.00 -0.04 0.00 0.00 33.50 32.10 1jak n PRO 403 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jak s LEU 404 N -3.61 1.84 0.00 1.53 1.43 -1.26 -5.13 118.68 113.48 1jak s LEU 404 Ca 0.06 -1.62 0.00 0.00 -1.03 0.00 0.00 54.13 51.53 1jak s LEU 404 Cb 0.09 0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.40 1jak s LEU 404 CO 0.32 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.59 1jak n GLY 405 N -0.73 -2.59 3.70 -3.19 0.00 -1.26 -4.60 105.19 96.51 1jak n GLY 405 Ca -0.01 -1.63 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 1jak n GLY 405 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jak s LEU 406 N 0.00 3.00 0.00 0.99 1.43 0.20 -4.79 118.68 119.50 1jak s LEU 406 Ca 0.00 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.89 1jak s LEU 406 Cb 0.00 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 45.01 1jak s LEU 406 CO 0.00 -0.52 0.58 -1.54 0.23 0.00 0.00 176.35 175.10 1jak n SER 407 N -1.14 0.50 0.27 2.29 3.41 -1.26 -0.28 113.62 117.41 1jak n SER 407 Ca -0.03 -1.24 0.12 0.00 -0.26 0.00 0.00 58.87 57.46 1jak n SER 407 Cb 0.66 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.38 1jak n SER 407 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1jak h TRP 408 N 0.00 0.00 -0.54 7.33 5.08 -1.99 -0.85 115.95 124.98 1jak h TRP 408 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1jak h TRP 408 Cb 0.82 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.98 1jak h TRP 408 CO 0.00 0.05 0.00 0.00 -1.28 0.00 0.00 178.44 177.21 1jak n ALA 409 N -2.37 3.79 0.00 0.11 0.00 -1.26 -5.05 120.51 115.73 1jak n ALA 409 Ca -0.03 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 51.62 1jak n ALA 409 Cb 0.14 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1jak n ALA 409 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jak n GLY 410 N 0.61 -1.90 3.88 0.00 0.00 -0.32 -4.63 105.19 102.83 1jak n GLY 410 Ca 0.26 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1jak n GLY 410 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jak s TYR 411 N 0.00 3.45 -0.37 1.61 2.02 -1.26 -4.64 117.35 118.16 1jak s TYR 411 Ca 0.00 0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 1jak s TYR 411 Cb 0.00 -1.74 0.12 0.00 -0.40 0.00 0.00 41.96 39.94 1jak s TYR 411 CO 0.00 0.58 0.18 0.08 -1.57 0.00 0.00 175.55 174.82 1jak s VAL 412 N -1.44 0.90 0.99 0.71 1.01 -0.21 -5.01 120.40 117.36 1jak s VAL 412 Ca 0.32 -1.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.27 1jak s VAL 412 Cb -0.13 -1.65 0.19 0.00 0.00 0.00 0.00 36.38 34.79 1jak s VAL 412 CO 0.25 -0.82 1.21 -1.61 0.00 0.00 0.00 175.10 174.12 1jak s GLU 413 N 1.05 0.44 0.19 2.72 0.41 -1.25 -4.32 118.70 117.94 1jak s GLU 413 Ca 0.14 -0.09 -0.13 0.00 -0.41 0.00 0.00 54.97 54.49 1jak s GLU 413 Cb -0.21 -1.79 0.13 0.00 -1.78 0.00 0.00 34.13 30.47 1jak s GLU 413 CO -0.11 -2.60 1.82 0.28 -0.49 0.00 0.00 175.26 174.17 1jak h VAL 414 N -1.78 1.06 -0.42 2.63 2.07 -1.98 -2.48 116.25 115.35 1jak h VAL 414 Ca -0.46 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1jak h VAL 414 Cb 1.28 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1jak h VAL 414 CO 0.46 0.12 0.18 -0.61 0.02 0.00 0.00 177.57 177.74 1jak h GLN 415 N 0.67 0.61 -0.99 1.57 4.15 -1.96 -2.60 115.11 116.56 1jak h GLN 415 Ca 0.23 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.58 1jak h GLN 415 Cb 0.03 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.56 1jak h GLN 415 CO -0.10 0.55 0.65 -0.09 -1.93 0.00 0.00 178.83 177.91 1jak h ARG 416 N 0.53 1.23 -0.14 1.69 2.43 -1.89 0.39 114.38 118.62 1jak h ARG 416 Ca 0.14 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1jak h ARG 416 Cb 0.16 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1jak h ARG 416 CO -0.01 0.81 -0.14 1.03 -1.51 0.00 0.00 179.97 180.15 1jak h SER 417 N 1.26 0.21 0.09 -3.80 0.87 -1.19 -3.30 113.55 107.70 1jak h SER 417 Ca 0.39 -0.04 -0.37 0.00 -1.23 0.00 0.00 61.79 60.54 1jak h SER 417 Cb -0.01 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.84 1jak h SER 417 CO -0.12 0.38 -2.25 0.00 -0.53 0.00 0.00 176.83 174.31 1jak n TYR 418 N -4.27 0.47 -1.00 2.24 9.36 -0.78 -4.73 117.16 118.44 1jak n TYR 418 Ca -0.01 0.11 -0.32 0.00 3.32 0.00 0.00 57.90 61.01 1jak n TYR 418 Cb 0.27 -1.07 -0.03 0.00 -0.63 0.00 0.00 39.34 37.88 1jak n TYR 418 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1jak n ASP 419 N -3.22 4.51 -3.80 2.98 2.03 0.13 -4.83 116.55 114.36 1jak n ASP 419 Ca -0.37 -2.50 -0.09 0.00 0.52 0.00 0.00 54.79 52.36 1jak n ASP 419 Cb 1.04 -1.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 1jak n ASP 419 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 1jak s TRP 420 N 3.74 -0.11 -0.22 -0.67 1.48 -1.26 -4.97 118.94 116.93 1jak s TRP 420 Ca 0.48 -0.26 0.02 0.00 -1.06 0.00 0.00 56.10 55.28 1jak s TRP 420 Cb 0.13 0.51 0.04 0.00 -1.16 0.00 0.00 33.47 32.99 1jak s TRP 420 CO 0.00 -1.05 -0.13 0.34 -4.06 0.00 0.00 176.95 172.05 1jak s ASP 421 N -2.90 3.73 0.43 -2.66 -1.08 -1.26 -5.01 116.67 107.91 1jak s ASP 421 Ca 0.11 -1.03 0.18 0.00 -0.52 0.00 0.00 52.55 51.29 1jak s ASP 421 Cb -0.03 -1.41 1.09 0.00 -1.46 0.00 0.00 42.92 41.12 1jak s ASP 421 CO 0.02 -0.13 1.89 -0.65 0.52 0.00 0.00 175.17 176.82 1jak h PRO 422 N 7.89 0.37 -0.02 4.34 0.11 -1.99 -2.03 132.00 140.68 1jak h PRO 422 Ca -0.29 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 1jak h PRO 422 Cb 1.09 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1jak h PRO 422 CO 0.51 0.25 -0.29 0.00 -0.21 0.00 0.00 178.00 178.26 1jak h ALA 423 N 1.62 1.48 0.00 -0.75 0.00 -1.95 -3.19 119.26 116.48 1jak h ALA 423 Ca 0.42 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jak h ALA 423 Cb 1.06 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1jak h ALA 423 CO -0.14 0.39 -0.55 0.41 0.00 0.00 0.00 179.25 179.35 1jak n GLY 424 N -0.66 4.25 0.12 0.00 0.00 -0.88 -4.43 105.19 103.59 1jak n GLY 424 Ca -0.02 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.78 1jak n GLY 424 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jak h TYR 425 N 0.89 -0.16 -3.48 1.61 3.20 -1.37 -3.44 116.97 114.21 1jak h TYR 425 Ca -0.04 -0.00 -0.61 0.00 3.14 0.00 0.00 58.73 61.22 1jak h TYR 425 Cb 1.18 0.05 -0.10 0.00 1.54 0.00 0.00 36.73 39.39 1jak h TYR 425 CO 0.57 -0.02 0.42 -1.17 -1.64 0.00 0.00 178.16 176.32 1jak s LEU 426 N -8.73 4.09 0.06 2.82 2.96 -1.26 -5.00 118.68 113.62 1jak s LEU 426 Ca -0.04 0.52 -0.36 0.00 -0.22 0.00 0.00 54.13 54.02 1jak s LEU 426 Cb 0.00 -3.08 -0.16 0.00 0.50 0.00 0.00 46.19 43.45 1jak s LEU 426 CO 0.14 -0.70 1.45 -2.65 -1.32 0.00 0.00 176.35 173.28 1jak n PRO 427 N 6.38 1.42 -0.48 0.98 -0.02 -1.26 -1.60 135.00 140.41 1jak n PRO 427 Ca 0.04 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1jak n PRO 427 Cb 0.48 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1jak n PRO 427 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jak n GLY 428 N 2.96 1.75 3.71 -1.23 0.00 -1.26 -4.83 105.19 106.29 1jak n GLY 428 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1jak n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jak s ALA 429 N -3.21 3.28 0.16 4.61 0.00 -0.63 -4.92 121.76 121.05 1jak s ALA 429 Ca 0.00 0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.95 1jak s ALA 429 Cb 0.00 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 1jak s ALA 429 CO 0.00 -0.22 1.66 -2.14 0.00 0.00 0.00 175.76 175.06 1jak s PRO 430 N 1.05 4.17 0.41 0.00 0.02 -1.26 -4.88 135.00 134.51 1jak s PRO 430 Ca 0.44 2.46 0.13 0.00 0.02 0.00 0.00 61.00 64.05 1jak s PRO 430 Cb -0.19 -3.25 0.96 0.00 0.02 0.00 0.00 34.50 32.05 1jak s PRO 430 CO 0.22 -0.70 1.94 0.00 -0.33 0.00 0.00 177.00 178.12 1jak h ALA 431 N 7.24 1.98 0.00 -1.55 0.00 -1.95 -0.52 119.26 124.46 1jak h ALA 431 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jak h ALA 431 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1jak h ALA 431 CO 0.93 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.63 1jak n ASP 432 N -4.49 0.14 0.06 0.00 5.75 -1.26 -2.13 116.55 114.62 1jak n ASP 432 Ca 0.13 0.54 0.12 0.00 -0.01 0.00 0.00 54.79 55.57 1jak n ASP 432 Cb 0.43 -0.57 0.15 0.00 -1.03 0.00 0.00 41.12 40.11 1jak n ASP 432 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jak n ALA 433 N -1.56 2.96 -2.45 2.12 0.00 -0.20 -4.80 120.51 116.58 1jak n ALA 433 Ca 0.03 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 1jak n ALA 433 Cb 0.15 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1jak n ALA 433 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jak s VAL 434 N -3.17 4.12 -0.07 0.00 1.01 -0.91 -0.50 120.40 120.89 1jak s VAL 434 Ca 0.06 1.23 0.13 0.00 0.00 0.00 0.00 61.98 63.39 1jak s VAL 434 Cb 0.13 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 1jak s VAL 434 CO 0.73 -0.63 1.17 0.03 0.00 0.00 0.00 175.10 176.40 1jak h ARG 435 N 9.53 0.00 0.00 2.72 2.47 -0.80 -3.47 114.38 124.84 1jak h ARG 435 Ca -0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1jak h ARG 435 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 1jak h ARG 435 CO 1.06 0.58 0.00 0.41 0.56 0.00 0.00 179.97 182.58 1jak n GLY 436 N 1.33 -0.39 3.29 0.04 0.00 -1.20 -1.71 105.19 106.55 1jak n GLY 436 Ca -0.03 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1jak n GLY 436 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jak s VAL 437 N -3.58 0.68 -0.04 1.61 -7.23 -0.07 -1.12 120.40 110.64 1jak s VAL 437 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 1jak s VAL 437 Cb 0.00 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.60 1jak s VAL 437 CO 0.00 -0.26 0.26 -0.70 -0.31 0.00 0.00 175.10 174.09 1jak s GLU 438 N -3.96 0.51 -0.40 4.82 2.12 -0.78 -1.59 118.70 119.43 1jak s GLU 438 Ca 0.30 -0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.62 1jak s GLU 438 Cb 0.07 0.23 0.11 0.00 0.26 0.00 0.00 34.13 34.80 1jak s GLU 438 CO 0.09 -0.12 0.15 0.00 -0.54 0.00 0.00 175.26 174.83 1jak s ALA 439 N -0.82 3.07 0.20 6.30 0.00 -0.38 -4.39 121.76 125.74 1jak s ALA 439 Ca -0.09 -2.71 -0.27 0.00 0.00 0.00 0.00 51.96 48.89 1jak s ALA 439 Cb -0.05 -2.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.84 1jak s ALA 439 CO 0.02 -1.80 0.84 -2.14 0.00 0.00 0.00 175.76 172.68 1jak s PRO 440 N 0.70 4.67 -0.34 0.00 0.02 -1.18 -1.97 135.00 136.90 1jak s PRO 440 Ca 0.12 1.27 0.03 0.00 0.02 0.00 0.00 61.00 62.45 1jak s PRO 440 Cb -0.21 -3.25 0.10 0.00 0.02 0.00 0.00 34.50 31.16 1jak s PRO 440 CO -0.05 0.54 0.06 -1.17 -0.33 0.00 0.00 177.00 176.05 1jak s LEU 441 N -1.20 4.80 0.38 -5.54 2.96 -0.27 -0.74 118.68 119.06 1jak s LEU 441 Ca 0.38 -2.14 -0.21 0.00 -0.22 0.00 0.00 54.13 51.94 1jak s LEU 441 Cb -0.24 -1.64 -0.10 0.00 0.50 0.00 0.00 46.19 44.70 1jak s LEU 441 CO 0.28 -0.39 0.90 0.26 -1.32 0.00 0.00 176.35 176.08 1jak s TRP 442 N 0.92 3.40 -0.22 5.38 0.52 -1.26 -1.93 118.94 125.76 1jak s TRP 442 Ca 0.11 1.56 0.12 0.00 0.02 0.00 0.00 56.10 57.91 1jak s TRP 442 Cb -0.19 -2.80 0.43 0.00 -1.15 0.00 0.00 33.47 29.76 1jak s TRP 442 CO -0.08 0.00 1.30 0.25 0.02 0.00 0.00 176.95 178.45 1jak n THR 443 N -0.31 2.26 -0.21 2.01 -2.24 -1.26 -4.66 114.28 109.87 1jak n THR 443 Ca 0.05 -2.82 0.14 0.00 -2.27 0.00 0.00 64.05 59.15 1jak n THR 443 Cb 0.53 -0.27 0.45 0.00 -2.10 0.00 0.00 70.33 68.95 1jak n THR 443 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1jak h GLU 444 N 0.89 0.51 -0.07 -0.78 3.07 -1.94 -2.76 114.58 113.49 1jak h GLU 444 Ca 0.07 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1jak h GLU 444 Cb 1.24 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1jak h GLU 444 CO 0.14 0.34 0.00 0.25 -1.40 0.00 0.00 179.01 178.34 1jak n THR 445 N -4.51 0.14 -4.26 1.13 -2.24 -1.26 -4.97 114.28 98.32 1jak n THR 445 Ca 0.15 -0.57 -0.34 0.00 -2.27 0.00 0.00 64.05 61.03 1jak n THR 445 Cb 0.50 1.17 -0.15 0.00 -2.10 0.00 0.00 70.33 69.75 1jak n THR 445 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jak s LEU 446 N -1.10 2.48 0.00 3.22 1.43 -1.04 -4.72 118.68 118.95 1jak s LEU 446 Ca 0.17 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1jak s LEU 446 Cb 0.12 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1jak s LEU 446 CO 0.17 0.03 0.36 -1.54 0.23 0.00 0.00 176.35 175.61 1jak n SER 447 N 4.40 0.72 -4.00 2.29 3.41 -1.26 -4.65 113.62 114.54 1jak n SER 447 Ca -0.19 -0.86 -0.08 0.00 -0.26 0.00 0.00 58.87 57.47 1jak n SER 447 Cb 0.51 0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 64.73 1jak n SER 447 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1jak s ASP 448 N -0.46 0.32 0.37 4.04 1.47 -1.26 -5.00 116.67 116.15 1jak s ASP 448 Ca 0.01 -0.77 0.13 0.00 1.18 0.00 0.00 52.55 53.10 1jak s ASP 448 Cb 0.01 0.22 0.96 0.00 -0.34 0.00 0.00 42.92 43.77 1jak s ASP 448 CO 0.03 -0.56 1.80 -0.65 0.68 0.00 0.00 175.17 176.46 1jak h PRO 449 N 3.38 0.52 -0.27 2.11 0.11 -1.97 -1.19 132.00 134.69 1jak h PRO 449 Ca -0.33 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.65 1jak h PRO 449 Cb 1.17 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1jak h PRO 449 CO 0.58 0.34 -0.25 -0.44 -0.21 0.00 0.00 178.00 178.02 1jak h ASP 450 N 0.54 0.53 0.09 -2.05 3.32 -1.98 -2.01 116.42 114.85 1jak h ASP 450 Ca 0.55 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 57.28 1jak h ASP 450 Cb 1.18 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1jak h ASP 450 CO -0.30 0.77 -0.50 1.56 -1.72 0.00 0.00 179.24 179.05 1jak h GLN 451 N 0.46 0.47 -0.57 3.56 4.20 -1.66 -2.06 115.11 119.51 1jak h GLN 451 Ca 0.07 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1jak h GLN 451 Cb 0.69 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 1jak h GLN 451 CO 0.05 0.86 0.33 -0.07 -0.67 0.00 0.00 178.83 179.33 1jak h LEU 452 N 0.37 0.70 -0.36 1.46 3.38 -1.07 -2.68 115.31 117.11 1jak h LEU 452 Ca 0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1jak h LEU 452 Cb 1.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1jak h LEU 452 CO 0.09 0.57 0.21 0.44 0.09 0.00 0.00 178.44 179.84 1jak h ASP 453 N 0.77 0.44 -0.53 -0.43 3.32 -1.10 0.11 116.42 119.01 1jak h ASP 453 Ca 0.20 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1jak h ASP 453 Cb 0.01 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1jak h ASP 453 CO -0.04 0.38 0.35 0.22 -1.72 0.00 0.00 179.24 178.44 1jak h TYR 454 N 0.47 0.57 0.00 4.55 3.20 -1.17 0.13 116.97 124.72 1jak h TYR 454 Ca 0.13 0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.80 1jak h TYR 454 Cb 0.03 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 1jak h TYR 454 CO -0.03 0.33 -1.45 0.52 -1.64 0.00 0.00 178.16 175.88 1jak h MET 455 N 0.58 0.00 0.13 1.82 2.86 -1.29 -3.33 114.93 115.70 1jak h MET 455 Ca 0.22 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.57 1jak h MET 455 Cb 0.14 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.82 1jak h MET 455 CO -0.06 0.42 -1.24 0.00 1.06 0.00 0.00 176.91 177.09 1jak h ALA 456 N 1.24 0.05 -3.01 6.32 0.00 -0.54 -3.44 119.26 119.88 1jak h ALA 456 Ca -0.19 -0.80 -0.66 0.00 0.00 0.00 0.00 54.91 53.25 1jak h ALA 456 Cb 1.75 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.52 1jak h ALA 456 CO 0.06 0.77 -0.56 -0.06 0.00 0.00 0.00 179.25 179.47 1jak s PHE 457 N -2.89 3.36 -1.40 0.00 0.40 0.41 -0.28 117.98 117.57 1jak s PHE 457 Ca -0.08 0.30 0.11 0.00 -0.60 0.00 0.00 56.93 56.66 1jak s PHE 457 Cb 0.06 -1.81 0.41 0.00 0.51 0.00 0.00 43.02 42.19 1jak s PHE 457 CO 0.92 0.59 1.26 -0.35 0.70 0.00 0.00 175.22 178.34 1jak n PRO 458 N 1.60 2.49 0.15 0.24 -0.04 -1.26 -2.29 135.00 135.88 1jak n PRO 458 Ca -0.16 -1.62 0.04 0.00 -0.04 0.00 0.00 63.50 61.72 1jak n PRO 458 Cb 0.53 -1.58 0.10 0.00 -0.04 0.00 0.00 33.50 32.51 1jak n PRO 458 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jak h ARG 459 N 2.36 0.00 -0.50 0.54 3.08 -1.81 -3.36 114.38 114.70 1jak h ARG 459 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1jak h ARG 459 Cb 0.89 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.87 1jak h ARG 459 CO 0.12 0.45 0.12 1.25 -1.07 0.00 0.00 179.97 180.84 1jak h LEU 460 N 0.00 0.06 -1.36 3.04 5.85 -0.98 -2.08 115.31 119.84 1jak h LEU 460 Ca -0.00 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1jak h LEU 460 Cb 1.27 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1jak h LEU 460 CO 0.06 0.06 0.13 -0.65 -0.34 0.00 0.00 178.44 177.70 1jak h PRO 461 N 0.27 0.57 -0.57 5.25 0.11 -1.84 -2.84 132.00 132.94 1jak h PRO 461 Ca 0.25 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1jak h PRO 461 Cb 0.32 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 1jak h PRO 461 CO -0.31 0.49 0.28 0.78 -0.21 0.00 0.00 178.00 179.03 1jak h GLY 462 N 0.75 0.89 1.70 -0.55 0.00 -1.57 -1.25 103.07 103.04 1jak h GLY 462 Ca 0.14 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1jak h GLY 462 CO -0.01 0.42 -0.31 -2.08 0.00 0.00 0.00 176.54 174.56 1jak h VAL 463 N 0.78 1.27 -0.74 4.60 2.07 -1.35 -1.92 116.25 120.95 1jak h VAL 463 Ca 0.20 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 1jak h VAL 463 Cb 0.12 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1jak h VAL 463 CO -0.02 0.41 0.22 0.00 0.02 0.00 0.00 177.57 178.19 1jak h ALA 464 N 1.38 0.98 -0.60 1.67 0.00 -1.22 -2.21 119.26 119.25 1jak h ALA 464 Ca 0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1jak h ALA 464 Cb 0.70 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1jak h ALA 464 CO 0.05 0.67 0.18 1.49 0.00 0.00 0.00 179.25 181.65 1jak h GLU 465 N 1.11 0.94 -0.49 0.00 4.81 -0.71 -0.26 114.58 119.99 1jak h GLU 465 Ca 0.24 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1jak h GLU 465 Cb 0.33 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1jak h GLU 465 CO -0.01 0.85 0.32 -0.07 -0.73 0.00 0.00 179.01 179.37 1jak h LEU 466 N 0.86 0.53 -0.03 1.64 3.38 -1.02 0.97 115.31 121.65 1jak h LEU 466 Ca 0.19 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 1jak h LEU 466 Cb 0.30 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1jak h LEU 466 CO -0.00 0.38 -1.00 1.23 0.09 0.00 0.00 178.44 179.13 1jak h GLY 467 N 0.62 0.03 0.00 0.83 0.00 -0.83 -3.41 103.07 100.32 1jak h GLY 467 Ca 0.18 -0.09 -0.40 0.00 0.00 0.00 0.00 47.33 47.03 1jak h GLY 467 CO -0.04 0.08 -2.26 1.87 0.00 0.00 0.00 176.54 176.18 1jak n TRP 468 N -3.39 0.13 -1.97 5.60 -0.00 -0.16 -1.50 117.44 116.15 1jak n TRP 468 Ca -0.01 0.06 -0.34 0.00 -0.00 0.00 0.00 57.50 57.21 1jak n TRP 468 Cb 0.93 -0.97 0.03 0.00 -0.00 0.00 0.00 31.31 31.30 1jak n TRP 468 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 1jak s SER 469 N -7.29 5.33 0.50 5.87 0.01 0.28 -0.58 113.70 117.83 1jak s SER 469 Ca -0.37 2.11 -0.22 0.00 1.31 0.00 0.00 55.95 58.78 1jak s SER 469 Cb 0.13 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 1jak s SER 469 CO 0.49 -1.48 1.19 -2.84 0.41 0.00 0.00 173.24 171.01 1jak s PRO 470 N -3.71 3.51 0.39 12.44 0.02 -1.26 -4.67 135.00 141.72 1jak s PRO 470 Ca 0.70 1.82 0.11 0.00 0.02 0.00 0.00 61.00 63.64 1jak s PRO 470 Cb -0.23 -2.26 0.89 0.00 0.02 0.00 0.00 34.50 32.92 1jak s PRO 470 CO 0.35 -0.77 1.93 0.00 -0.33 0.00 0.00 177.00 178.19 1jak h ALA 471 N 1.69 1.90 0.00 -1.55 0.00 -1.96 -1.03 119.26 118.30 1jak h ALA 471 Ca -0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1jak h ALA 471 Cb 1.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1jak h ALA 471 CO 0.59 -0.06 -0.00 0.66 0.00 0.00 0.00 179.25 180.43 1jak h SER 472 N 0.59 0.00 0.31 0.00 4.64 -2.02 -1.49 113.55 115.58 1jak h SER 472 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1jak h SER 472 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1jak h SER 472 CO -0.13 0.00 -0.50 0.35 -0.87 0.00 0.00 176.83 175.69 1jak n THR 473 N -3.18 0.00 -2.23 2.95 -2.24 -0.39 -4.91 114.28 104.29 1jak n THR 473 Ca -0.03 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1jak n THR 473 Cb 0.09 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1jak n THR 473 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1jak s HIS 474 N -2.82 2.61 -0.30 4.78 2.46 -0.56 -4.93 115.29 116.53 1jak s HIS 474 Ca 0.15 0.71 -0.14 0.00 0.47 0.00 0.00 55.06 56.25 1jak s HIS 474 Cb 0.18 -3.68 0.17 0.00 -0.13 0.00 0.00 32.58 29.12 1jak s HIS 474 CO 0.66 -2.60 1.01 0.34 -2.47 0.00 0.00 174.74 171.68 1jak s ASP 475 N 2.31 -0.55 0.13 9.88 2.15 -1.26 -5.07 116.67 124.26 1jak s ASP 475 Ca 0.64 0.56 -0.19 0.00 0.43 0.00 0.00 52.55 54.00 1jak s ASP 475 Cb -0.29 1.55 -0.01 0.00 -0.30 0.00 0.00 42.92 43.87 1jak s ASP 475 CO 0.24 -0.10 1.75 -0.25 -0.17 0.00 0.00 175.17 176.63 1jak h TRP 476 N 7.67 0.13 -0.80 -5.34 2.91 -1.96 0.98 115.95 119.54 1jak h TRP 476 Ca -0.15 0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.00 1jak h TRP 476 Cb 1.14 -0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 29.71 1jak h TRP 476 CO 0.15 0.06 0.52 -0.44 -1.03 0.00 0.00 178.44 177.70 1jak h ASP 477 N 0.18 0.60 0.45 2.65 3.32 -2.00 0.72 116.42 122.35 1jak h ASP 477 Ca 0.11 0.02 -0.30 0.00 0.02 0.00 0.00 57.03 56.88 1jak h ASP 477 Cb 0.09 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1jak h ASP 477 CO -0.12 0.34 -1.74 0.35 -1.72 0.00 0.00 179.24 176.34 1jak n THR 478 N -4.51 1.62 -0.19 0.35 -2.24 -1.11 -4.12 114.28 104.08 1jak n THR 478 Ca 0.14 -0.79 -0.09 0.00 -2.27 0.00 0.00 64.05 61.05 1jak n THR 478 Cb 0.39 -1.08 0.01 0.00 -2.10 0.00 0.00 70.33 67.55 1jak n THR 478 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1jak h TYR 479 N 0.01 0.93 -0.07 4.78 3.20 -0.22 -2.71 116.97 122.88 1jak h TYR 479 Ca -0.30 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.47 1jak h TYR 479 Cb 2.02 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 40.03 1jak h TYR 479 CO 0.01 0.82 0.08 1.57 -1.64 0.00 0.00 178.16 178.99 1jak h LYS 480 N 0.77 0.00 -0.08 1.82 2.10 -1.03 0.95 116.57 121.10 1jak h LYS 480 Ca 0.17 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.58 1jak h LYS 480 Cb 0.38 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.72 1jak h LYS 480 CO 0.01 0.00 -0.88 0.28 -2.00 0.00 0.00 179.45 176.86 1jak h VAL 481 N 0.00 1.30 -0.10 0.07 2.07 -1.64 0.70 116.25 118.65 1jak h VAL 481 Ca 0.03 -2.12 -0.13 0.00 0.82 0.00 0.00 66.70 65.31 1jak h VAL 481 Cb 0.18 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1jak h VAL 481 CO -0.00 0.66 -0.49 0.03 0.02 0.00 0.00 177.57 177.79 1jak h ARG 482 N 0.44 0.27 -0.14 1.57 3.08 -0.97 -2.38 114.38 116.26 1jak h ARG 482 Ca -0.08 -0.15 -0.20 0.00 0.07 0.00 0.00 59.98 59.63 1jak h ARG 482 Cb 1.51 0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.58 1jak h ARG 482 CO 0.17 0.71 -0.68 1.25 -1.07 0.00 0.00 179.97 180.35 1jak h LEU 483 N 0.21 0.83 -1.51 3.04 5.85 -0.83 -3.10 115.31 119.80 1jak h LEU 483 Ca 0.01 -0.63 0.07 0.00 0.84 0.00 0.00 57.88 58.16 1jak h LEU 483 Cb 0.95 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1jak h LEU 483 CO 0.08 1.33 0.41 0.00 -0.34 0.00 0.00 178.44 179.92 1jak h ALA 484 N 0.52 1.82 0.00 1.25 0.00 -0.71 -1.18 119.26 120.96 1jak h ALA 484 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jak h ALA 484 Cb 1.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jak h ALA 484 CO 0.14 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1jak h ALA 485 N 1.66 1.00 0.00 0.00 0.00 -1.35 -2.28 119.26 118.30 1jak h ALA 485 Ca 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1jak h ALA 485 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jak h ALA 485 CO -0.08 0.00 -0.18 1.96 0.00 0.00 0.00 179.25 180.95 1jak h GLN 486 N 0.00 0.00 -0.75 0.00 1.08 -1.29 -3.37 115.11 110.78 1jak h GLN 486 Ca 0.00 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.30 1jak h GLN 486 Cb 0.21 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.52 1jak h GLN 486 CO 0.00 0.18 -0.45 0.00 -0.95 0.00 0.00 178.83 177.60 1jak h ALA 487 N 1.82 -0.26 0.00 3.87 0.00 -1.63 0.00 119.26 123.06 1jak h ALA 487 Ca -0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1jak h ALA 487 Cb 0.89 1.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1jak h ALA 487 CO 0.02 -0.81 -0.10 -1.00 0.00 0.00 0.00 179.25 177.36 1jak h PRO 488 N -0.13 0.00 -0.16 0.00 0.13 -1.78 -0.91 132.00 129.15 1jak h PRO 488 Ca 0.21 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.28 1jak h PRO 488 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1jak h PRO 488 CO -0.80 0.10 -0.16 1.88 -0.23 0.00 0.00 178.00 178.78 1jak h TYR 489 N 0.00 0.47 -0.63 1.56 -1.99 -1.28 -1.76 116.97 113.33 1jak h TYR 489 Ca -0.00 -0.14 -0.08 0.00 2.00 0.00 0.00 58.73 60.50 1jak h TYR 489 Cb 0.18 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.79 1jak h TYR 489 CO 0.00 0.78 0.07 -1.49 -0.00 0.00 0.00 178.16 177.52 1jak h TRP 490 N 0.03 1.13 -0.28 4.88 6.55 -0.82 -0.21 115.95 127.23 1jak h TRP 490 Ca 0.02 -0.16 -0.01 0.00 0.95 0.00 0.00 58.89 59.69 1jak h TRP 490 Cb 0.70 -0.31 -0.01 0.00 -0.86 0.00 0.00 29.16 28.68 1jak h TRP 490 CO 0.08 0.96 0.15 0.93 -1.05 0.00 0.00 178.44 179.52 1jak h GLU 491 N 0.98 0.39 -0.10 0.49 5.08 -1.17 0.16 114.58 120.42 1jak h GLU 491 Ca 0.19 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1jak h GLU 491 Cb 0.47 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1jak h GLU 491 CO 0.02 0.35 -0.21 0.00 -1.00 0.00 0.00 179.01 178.16 1jak h ALA 492 N 1.02 1.46 -0.00 3.43 0.00 -1.08 -2.64 119.26 121.45 1jak h ALA 492 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jak h ALA 492 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jak h ALA 492 CO -0.02 0.39 -0.28 0.00 0.00 0.00 0.00 179.25 179.34 1jak n ALA 493 N -2.49 3.04 -1.87 0.00 0.00 -0.11 -4.36 120.51 114.72 1jak n ALA 493 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.13 1jak n ALA 493 Cb 0.32 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 1jak n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jak n GLY 494 N 1.46 0.32 3.48 0.00 0.00 -0.05 -5.01 105.19 105.37 1jak n GLY 494 Ca 0.08 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1jak n GLY 494 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jak s ILE 495 N -2.15 5.17 0.43 -0.61 1.01 0.38 -5.03 121.20 120.40 1jak s ILE 495 Ca 0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 60.65 59.95 1jak s ILE 495 Cb 0.00 -3.97 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 1jak s ILE 495 CO 0.00 -0.35 1.10 -0.62 0.00 0.00 0.00 174.94 175.07 1jak s ASP 496 N 1.75 6.49 0.07 3.58 2.15 -1.26 -4.46 116.67 124.99 1jak s ASP 496 Ca 0.09 2.15 -0.19 0.00 0.43 0.00 0.00 52.55 55.04 1jak s ASP 496 Cb -0.18 -2.59 0.04 0.00 -0.30 0.00 0.00 42.92 39.89 1jak s ASP 496 CO 0.12 -0.68 0.44 0.72 -0.17 0.00 0.00 175.17 175.59 1jak s PHE 497 N -1.62 -0.29 -0.21 -5.34 -0.71 -1.26 -3.43 117.98 105.12 1jak s PHE 497 Ca 0.60 0.18 -0.29 0.00 -1.04 0.00 0.00 56.93 56.39 1jak s PHE 497 Cb -0.25 0.26 -0.00 0.00 -1.21 0.00 0.00 43.02 41.83 1jak s PHE 497 CO 0.31 -0.63 1.16 -0.47 -1.34 0.00 0.00 175.22 174.25 1jak s TYR 498 N -2.87 3.05 -1.37 3.49 5.04 -0.97 -4.94 117.35 118.78 1jak s TYR 498 Ca -0.03 1.19 -0.14 0.00 -2.44 0.00 0.00 57.07 55.65 1jak s TYR 498 Cb -0.00 -3.46 0.08 0.00 0.35 0.00 0.00 41.96 38.92 1jak s TYR 498 CO -0.05 -1.16 1.99 0.54 -1.34 0.00 0.00 175.55 175.53 1jak n ARG 499 N 6.58 3.10 -1.66 4.97 1.74 -1.26 -4.36 116.66 125.76 1jak n ARG 499 Ca 0.13 -3.01 -0.45 0.00 -0.77 0.00 0.00 57.85 53.75 1jak n ARG 499 Cb 0.46 -3.27 -0.03 0.00 -1.02 0.00 0.00 32.46 28.59 1jak n ARG 499 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jak n SER 500 N 6.34 2.65 0.05 0.55 2.88 -1.26 -4.86 113.62 119.97 1jak n SER 500 Ca 0.48 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 59.25 1jak n SER 500 Cb 0.41 -1.41 0.37 0.00 -0.75 0.00 0.00 64.21 62.83 1jak n SER 500 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1jak n PRO 501 N 2.10 0.08 0.08 -1.46 -0.04 -1.26 -2.09 135.00 132.40 1jak n PRO 501 Ca 0.12 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 64.06 1jak n PRO 501 Cb 0.31 -1.66 0.47 0.00 -0.04 0.00 0.00 33.50 32.58 1jak n PRO 501 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jak n GLN 502 N -1.80 0.18 -4.51 0.54 6.02 -1.26 -4.76 117.38 111.78 1jak n GLN 502 Ca 0.03 0.17 -0.33 0.00 -0.01 0.00 0.00 57.00 56.85 1jak n GLN 502 Cb 0.18 -1.72 -0.13 0.00 1.02 0.00 0.00 30.24 29.59 1jak n GLN 502 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1jak s VAL 503 N -3.09 3.57 -1.50 5.09 1.01 -0.89 -5.03 120.40 119.57 1jak s VAL 503 Ca 0.11 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 1jak s VAL 503 Cb 0.14 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1jak s VAL 503 CO 0.56 0.50 2.53 -0.81 0.00 0.00 0.00 175.10 177.88 1jak n PRO 504 N 3.59 3.52 -1.48 2.72 -0.04 -1.26 -4.86 135.00 137.19 1jak n PRO 504 Ca -0.18 -2.63 -0.56 0.00 -0.04 0.00 0.00 63.50 60.09 1jak n PRO 504 Cb 0.52 -2.96 -0.07 0.00 -0.04 0.00 0.00 33.50 30.96 1jak n PRO 504 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1jak n TRP 505 N 4.24 0.41 1.70 0.54 7.02 -1.26 -4.80 117.44 125.28 1jak n TRP 505 Ca 0.64 1.02 0.15 0.00 -1.02 0.00 0.00 57.50 58.28 1jak n TRP 505 Cb 0.30 -2.07 0.69 0.00 -2.42 0.00 0.00 31.31 27.81 1jak n TRP 505 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08