#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a4k h ARG 3 N 0.00 0.00 -0.01 1.61 3.08 -1.90 -2.63 114.38 114.53 2a4k h ARG 3 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2a4k h ARG 3 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2a4k h ARG 3 CO 0.00 0.00 -0.22 1.28 -1.07 0.00 0.00 179.97 179.96 2a4k n LEU 4 N -3.06 2.56 -4.76 3.04 4.77 -0.55 -4.60 117.00 114.40 2a4k n LEU 4 Ca 0.00 -3.46 -0.41 0.00 -0.03 0.00 0.00 56.01 52.12 2a4k n LEU 4 Cb 0.28 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2a4k n LEU 4 CO 0.26 1.02 1.09 -1.20 -1.33 0.00 0.00 177.39 177.23 2a4k n SER 5 N -1.28 3.54 0.00 -1.43 7.64 -0.99 -2.15 113.62 118.94 2a4k n SER 5 Ca 0.18 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.25 2a4k n SER 5 Cb 0.67 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2a4k n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a4k n GLY 6 N 0.52 0.38 3.68 0.23 0.00 -1.26 -4.97 105.19 103.79 2a4k n GLY 6 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2a4k n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a4k s LYS 7 N -0.72 2.91 -0.18 1.61 1.02 -0.91 -5.02 119.74 118.45 2a4k s LYS 7 Ca 0.00 -0.48 -0.07 0.00 0.02 0.00 0.00 55.97 55.44 2a4k s LYS 7 Cb 0.00 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 2a4k s LYS 7 CO 0.00 0.67 0.05 0.99 -0.92 0.00 0.00 175.35 176.14 2a4k s THR 8 N -0.96 4.65 -0.09 2.17 2.01 -1.26 -1.24 115.64 120.92 2a4k s THR 8 Ca 0.16 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.11 2a4k s THR 8 Cb -0.11 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.31 2a4k s THR 8 CO 0.05 0.46 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.60 2a4k s ILE 9 N 0.44 1.81 -0.16 1.82 -1.09 -0.28 -1.14 121.20 122.61 2a4k s ILE 9 Ca 0.02 -0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 57.43 2a4k s ILE 9 Cb -0.13 -1.58 -0.05 0.00 -1.58 0.00 0.00 42.46 39.13 2a4k s ILE 9 CO 0.01 0.50 0.27 -0.22 -1.23 0.00 0.00 174.94 174.27 2a4k s LEU 10 N 0.39 4.25 -0.20 2.97 0.20 -0.19 -1.85 118.68 124.25 2a4k s LEU 10 Ca -0.17 0.47 0.01 0.00 0.69 0.00 0.00 54.13 55.13 2a4k s LEU 10 Cb -0.17 -2.33 0.04 0.00 -0.43 0.00 0.00 46.19 43.30 2a4k s LEU 10 CO 0.07 0.12 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.47 2a4k s VAL 11 N 0.38 1.60 0.46 1.68 1.01 -0.71 -0.77 120.40 124.06 2a4k s VAL 11 Ca 0.15 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 2a4k s VAL 11 Cb -0.13 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2a4k s VAL 11 CO 0.03 0.16 0.73 0.42 0.00 0.00 0.00 175.10 176.43 2a4k s THR 12 N 1.41 4.46 -1.47 3.92 -4.23 -0.79 -0.98 115.64 117.96 2a4k s THR 12 Ca -0.01 -0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.26 2a4k s THR 12 Cb -0.16 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.03 2a4k s THR 12 CO -0.08 -0.57 0.59 0.61 -0.54 0.00 0.00 174.62 174.62 2a4k n GLY 13 N -2.17 -0.51 0.20 3.99 0.00 -0.63 -2.50 105.19 103.56 2a4k n GLY 13 Ca 0.00 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.29 2a4k n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a4k h ALA 14 N 1.00 1.00 0.00 4.61 0.00 -1.47 -2.83 119.26 121.56 2a4k h ALA 14 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2a4k h ALA 14 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2a4k h ALA 14 CO 0.56 0.00 -0.90 0.00 0.00 0.00 0.00 179.25 178.91 2a4k n ALA 15 N -1.93 2.74 -0.80 0.00 0.00 -1.26 -2.81 120.51 116.44 2a4k n ALA 15 Ca 0.02 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 2a4k n ALA 15 Cb 0.29 -1.11 0.23 0.00 0.00 0.00 0.00 19.45 18.86 2a4k n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2a4k s SER 16 N -4.86 1.29 0.08 0.00 1.04 -1.07 -4.65 113.70 105.54 2a4k s SER 16 Ca 0.02 1.23 -0.34 0.00 0.48 0.00 0.00 55.95 57.34 2a4k s SER 16 Cb 0.11 -1.90 -0.16 0.00 0.10 0.00 0.00 66.02 64.17 2a4k s SER 16 CO 0.77 -3.96 1.53 1.23 0.98 0.00 0.00 173.24 173.79 2a4k h GLY 17 N -2.46 -1.24 0.89 7.32 0.00 -1.93 0.91 103.07 106.56 2a4k h GLY 17 Ca -0.57 0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2a4k h GLY 17 CO 0.50 -0.36 0.08 -2.22 0.00 0.00 0.00 176.54 174.54 2a4k h ILE 18 N -0.95 1.16 -0.67 2.60 2.04 -1.89 -1.93 117.51 117.87 2a4k h ILE 18 Ca -0.06 -0.48 0.08 0.00 1.00 0.00 0.00 64.86 65.41 2a4k h ILE 18 Cb 0.83 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 2a4k h ILE 18 CO -0.08 0.16 0.33 1.23 0.00 0.00 0.00 178.15 179.79 2a4k h GLY 19 N 0.17 0.99 1.12 5.37 0.00 -1.62 -0.84 103.07 108.26 2a4k h GLY 19 Ca 0.07 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 2a4k h GLY 19 CO -0.01 0.07 -0.27 -0.09 0.00 0.00 0.00 176.54 176.25 2a4k h ARG 20 N 0.58 0.99 -0.18 4.80 2.43 -0.64 -1.25 114.38 121.11 2a4k h ARG 20 Ca 0.32 -0.45 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 2a4k h ARG 20 Cb 0.32 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2a4k h ARG 20 CO -0.25 1.13 -0.02 0.00 -1.51 0.00 0.00 179.97 179.32 2a4k h ALA 21 N 0.84 1.64 -0.15 2.80 0.00 -1.11 -2.36 119.26 120.92 2a4k h ALA 21 Ca 0.10 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2a4k h ALA 21 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2a4k h ALA 21 CO 0.08 0.27 -0.32 0.00 0.00 0.00 0.00 179.25 179.27 2a4k h ALA 22 N 1.73 0.24 -0.62 0.00 0.00 -0.72 -2.24 119.26 117.65 2a4k h ALA 22 Ca 0.06 -0.42 0.13 0.00 0.00 0.00 0.00 54.91 54.68 2a4k h ALA 22 Cb 0.21 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 2a4k h ALA 22 CO 0.01 0.28 0.04 -0.07 0.00 0.00 0.00 179.25 179.51 2a4k h LEU 23 N 0.10 -0.19 -0.31 0.00 3.38 -1.07 0.18 115.31 117.40 2a4k h LEU 23 Ca 0.00 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2a4k h LEU 23 Cb 0.92 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2a4k h LEU 23 CO 0.07 -0.08 -0.03 -0.78 0.09 0.00 0.00 178.44 177.71 2a4k h ASP 24 N 0.16 0.56 -0.19 -0.43 3.58 -1.43 -1.43 116.42 117.24 2a4k h ASP 24 Ca 0.33 -0.33 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2a4k h ASP 24 Cb 0.52 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2a4k h ASP 24 CO -0.50 0.76 -0.03 0.25 -2.88 0.00 0.00 179.24 176.84 2a4k h LEU 25 N 0.35 0.35 -0.72 2.28 5.85 -1.04 -1.60 115.31 120.79 2a4k h LEU 25 Ca 0.08 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 2a4k h LEU 25 Cb 0.49 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2a4k h LEU 25 CO 0.02 0.62 0.24 -0.26 -0.34 0.00 0.00 178.44 178.72 2a4k h PHE 26 N 0.08 1.14 -0.13 1.25 0.04 -0.67 -1.96 116.94 116.69 2a4k h PHE 26 Ca 0.05 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.72 2a4k h PHE 26 Cb 0.45 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 2a4k h PHE 26 CO 0.05 0.90 0.04 0.00 -0.60 0.00 0.00 178.31 178.69 2a4k h ALA 27 N 1.12 0.14 -0.12 2.45 0.00 -1.26 -1.85 119.26 119.74 2a4k h ALA 27 Ca 0.23 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2a4k h ALA 27 Cb 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2a4k h ALA 27 CO -0.01 -0.40 0.12 0.00 0.00 0.00 0.00 179.25 178.96 2a4k h ARG 28 N 0.11 0.00 -0.60 0.00 3.08 -1.00 -1.89 114.38 114.07 2a4k h ARG 28 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2a4k h ARG 28 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2a4k h ARG 28 CO -0.06 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.23 2a4k n GLU 29 N -3.91 2.49 -0.12 0.04 -0.58 -0.76 -4.95 120.64 112.85 2a4k n GLU 29 Ca -0.00 -2.17 0.00 0.00 -0.42 0.00 0.00 57.16 54.56 2a4k n GLU 29 Cb 0.23 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2a4k n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2a4k n GLY 30 N 1.39 0.55 3.77 0.62 0.00 -0.71 -1.48 105.19 109.34 2a4k n GLY 30 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 2a4k n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a4k s ALA 31 N -2.26 2.85 0.05 4.61 0.00 -0.74 -3.99 121.76 122.28 2a4k s ALA 31 Ca 0.00 0.87 -0.02 0.00 0.00 0.00 0.00 51.96 52.81 2a4k s ALA 31 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2a4k s ALA 31 CO 0.00 -0.69 0.24 -1.54 0.00 0.00 0.00 175.76 173.77 2a4k s SER 32 N -1.56 6.40 -0.01 0.00 1.04 -0.37 -4.50 113.70 114.69 2a4k s SER 32 Ca 0.68 0.37 0.02 0.00 0.48 0.00 0.00 55.95 57.50 2a4k s SER 32 Cb -0.26 -2.00 -0.01 0.00 0.10 0.00 0.00 66.02 63.85 2a4k s SER 32 CO 0.31 0.18 -0.08 -0.76 0.98 0.00 0.00 173.24 173.87 2a4k s LEU 33 N -2.35 2.01 -0.39 2.42 1.43 -0.32 -1.12 118.68 120.35 2a4k s LEU 33 Ca 0.34 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 2a4k s LEU 33 Cb -0.13 -0.40 0.09 0.00 0.03 0.00 0.00 46.19 45.78 2a4k s LEU 33 CO 0.24 0.09 0.18 -0.69 0.23 0.00 0.00 176.35 176.41 2a4k s VAL 34 N -0.17 3.51 -0.27 -1.59 1.01 -0.77 -1.62 120.40 120.49 2a4k s VAL 34 Ca 0.03 -1.75 -0.15 0.00 0.00 0.00 0.00 61.98 60.11 2a4k s VAL 34 Cb -0.03 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2a4k s VAL 34 CO -0.00 -0.54 0.37 0.00 0.00 0.00 0.00 175.10 174.93 2a4k s ALA 35 N 1.24 3.56 -0.08 5.51 0.00 -0.25 -1.74 121.76 130.00 2a4k s ALA 35 Ca 0.04 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.23 2a4k s ALA 35 Cb -0.22 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 2a4k s ALA 35 CO -0.02 -0.66 -0.23 0.08 0.00 0.00 0.00 175.76 174.93 2a4k s VAL 36 N 2.07 2.18 0.11 0.00 1.01 -0.15 -0.99 120.40 124.62 2a4k s VAL 36 Ca 0.15 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.87 2a4k s VAL 36 Cb -0.16 -1.82 0.07 0.00 0.00 0.00 0.00 36.38 34.48 2a4k s VAL 36 CO 0.10 0.56 0.81 -0.62 0.00 0.00 0.00 175.10 175.96 2a4k s ASP 37 N 0.05 -0.36 0.03 3.32 -1.08 -1.17 -1.61 116.67 115.85 2a4k s ASP 37 Ca -0.10 -0.17 -0.11 0.00 -0.52 0.00 0.00 52.55 51.65 2a4k s ASP 37 Cb -0.15 0.50 -0.32 0.00 -1.46 0.00 0.00 42.92 41.49 2a4k s ASP 37 CO 0.06 -0.86 0.97 0.03 0.52 0.00 0.00 175.17 175.88 2a4k h ARG 38 N 2.00 0.43 -6.52 4.34 3.08 -1.88 -2.08 114.38 113.75 2a4k h ARG 38 Ca -0.25 -0.73 -0.57 0.00 0.07 0.00 0.00 59.98 58.50 2a4k h ARG 38 Cb 1.26 0.27 -0.08 0.00 0.08 0.00 0.00 29.97 31.50 2a4k h ARG 38 CO 0.30 1.34 0.86 -1.21 -1.07 0.00 0.00 179.97 180.19 2a4k s GLU 39 N -2.61 3.60 0.05 0.04 8.01 -1.26 -4.74 118.70 121.79 2a4k s GLU 39 Ca -0.09 0.34 -0.26 0.00 0.01 0.00 0.00 54.97 54.97 2a4k s GLU 39 Cb 0.05 -3.96 -0.17 0.00 -4.31 0.00 0.00 34.13 25.75 2a4k s GLU 39 CO 0.91 -1.46 1.55 1.49 0.01 0.00 0.00 175.26 177.76 2a4k h GLU 40 N 9.31 -0.24 -0.39 1.61 4.81 -1.99 -2.08 114.58 125.61 2a4k h GLU 40 Ca -0.24 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.91 2a4k h GLU 40 Cb 1.06 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 2a4k h GLU 40 CO 1.13 -0.05 -0.14 0.00 -0.73 0.00 0.00 179.01 179.22 2a4k h ARG 41 N -0.39 0.71 -0.28 1.92 3.08 -1.99 0.10 114.38 117.54 2a4k h ARG 41 Ca -0.03 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 59.66 2a4k h ARG 41 Cb 0.30 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2a4k h ARG 41 CO 0.04 0.82 -0.35 -0.07 -1.07 0.00 0.00 179.97 179.35 2a4k h LEU 42 N 0.64 0.63 -0.13 3.04 3.38 -1.98 -2.78 115.31 118.11 2a4k h LEU 42 Ca 0.11 -0.26 -0.24 0.00 0.09 0.00 0.00 57.88 57.58 2a4k h LEU 42 Cb 0.61 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2a4k h LEU 42 CO 0.04 0.93 -0.94 0.25 0.09 0.00 0.00 178.44 178.81 2a4k h LEU 43 N 0.51 0.73 -0.59 1.67 5.85 -1.00 -2.70 115.31 119.77 2a4k h LEU 43 Ca 0.05 -0.56 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 2a4k h LEU 43 Cb 0.84 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 2a4k h LEU 43 CO 0.07 1.35 0.19 0.00 -0.34 0.00 0.00 178.44 179.71 2a4k h ALA 44 N 0.61 0.78 -0.18 1.25 0.00 -0.83 -2.06 119.26 118.83 2a4k h ALA 44 Ca -0.09 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2a4k h ALA 44 Cb 1.57 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2a4k h ALA 44 CO 0.17 0.44 -0.12 1.05 0.00 0.00 0.00 179.25 180.80 2a4k h GLU 45 N 0.84 0.39 -0.54 0.00 -0.00 -1.57 -2.47 114.58 111.23 2a4k h GLU 45 Ca 0.19 -0.18 0.07 0.00 -0.00 0.00 0.00 59.36 59.44 2a4k h GLU 45 Cb 0.29 -0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 28.97 2a4k h GLU 45 CO -0.01 0.72 0.20 0.00 -0.00 0.00 0.00 179.01 179.92 2a4k h ALA 46 N 0.66 0.67 -0.13 1.06 0.00 -1.44 -2.92 119.26 117.17 2a4k h ALA 46 Ca 0.04 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 2a4k h ALA 46 Cb 0.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2a4k h ALA 46 CO 0.03 -0.19 -0.73 0.28 0.00 0.00 0.00 179.25 178.63 2a4k h VAL 47 N 0.39 1.32 -0.72 0.00 2.07 -1.40 -3.26 116.25 114.64 2a4k h VAL 47 Ca 0.26 -2.02 0.03 0.00 0.82 0.00 0.00 66.70 65.80 2a4k h VAL 47 Cb 0.28 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 2a4k h VAL 47 CO -0.26 0.63 0.48 0.00 0.02 0.00 0.00 177.57 178.44 2a4k h ALA 48 N 0.74 1.58 0.00 1.67 0.00 -1.29 -2.07 119.26 119.90 2a4k h ALA 48 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2a4k h ALA 48 Cb 1.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2a4k h ALA 48 CO 0.14 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.73 2a4k h ALA 49 N 1.58 1.00 -2.45 0.00 0.00 -1.56 -3.45 119.26 114.39 2a4k h ALA 49 Ca 0.29 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.72 2a4k h ALA 49 Cb 0.06 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.88 2a4k h ALA 49 CO -0.08 0.00 0.41 -0.51 0.00 0.00 0.00 179.25 179.06 2a4k s LEU 50 N -5.70 3.96 -0.57 0.00 1.43 -0.78 -4.97 118.68 112.05 2a4k s LEU 50 Ca 0.03 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.17 2a4k s LEU 50 Cb 0.09 -4.40 0.42 0.00 0.03 0.00 0.00 46.19 42.33 2a4k s LEU 50 CO 0.53 -0.73 1.59 -0.62 0.23 0.00 0.00 176.35 177.35 2a4k n GLU 51 N -0.63 3.12 -4.38 1.70 1.02 -1.26 -5.00 120.64 115.21 2a4k n GLU 51 Ca 0.08 -3.88 -0.19 0.00 -0.02 0.00 0.00 57.16 53.15 2a4k n GLU 51 Cb 0.51 -2.27 -0.10 0.00 -0.02 0.00 0.00 31.44 29.55 2a4k n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a4k s ALA 52 N -3.77 2.04 -0.23 0.62 0.00 -1.26 -5.06 121.76 114.11 2a4k s ALA 52 Ca 0.54 -1.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.35 2a4k s ALA 52 Cb 0.44 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 24.01 2a4k s ALA 52 CO -0.16 -0.23 1.73 -1.21 0.00 0.00 0.00 175.76 175.89 2a4k s GLU 53 N -3.85 3.65 -0.21 0.00 2.02 -1.26 -4.97 118.70 114.08 2a4k s GLU 53 Ca 0.31 1.70 -0.19 0.00 0.02 0.00 0.00 54.97 56.80 2a4k s GLU 53 Cb 0.06 -4.11 0.06 0.00 0.10 0.00 0.00 34.13 30.23 2a4k s GLU 53 CO 0.11 -1.48 0.56 0.00 0.02 0.00 0.00 175.26 174.47 2a4k s ALA 54 N 5.82 -1.39 0.12 5.21 0.00 -1.26 -1.18 121.76 129.09 2a4k s ALA 54 Ca 0.77 1.60 0.08 0.00 0.00 0.00 0.00 51.96 54.42 2a4k s ALA 54 Cb -0.26 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2a4k s ALA 54 CO 0.32 -0.27 -0.15 0.96 0.00 0.00 0.00 175.76 176.62 2a4k s ILE 55 N 0.37 3.02 -0.13 0.00 -4.36 -0.64 -4.99 121.20 114.47 2a4k s ILE 55 Ca -0.01 -1.47 -0.02 0.00 -0.26 0.00 0.00 60.65 58.90 2a4k s ILE 55 Cb -0.04 -2.41 -0.02 0.00 1.25 0.00 0.00 42.46 41.23 2a4k s ILE 55 CO -0.00 0.07 -0.07 0.00 0.24 0.00 0.00 174.94 175.18 2a4k s ALA 56 N -1.25 2.90 -0.14 2.27 0.00 -1.26 -1.09 121.76 123.19 2a4k s ALA 56 Ca 0.20 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 2a4k s ALA 56 Cb -0.10 -1.40 0.04 0.00 0.00 0.00 0.00 23.12 21.65 2a4k s ALA 56 CO 0.12 0.30 -0.04 0.08 0.00 0.00 0.00 175.76 176.21 2a4k s VAL 57 N 0.12 0.90 -0.25 0.00 1.01 -0.17 -4.97 120.40 117.05 2a4k s VAL 57 Ca -0.03 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 2a4k s VAL 57 Cb -0.14 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.18 2a4k s VAL 57 CO 0.03 0.18 1.18 -0.69 0.00 0.00 0.00 175.10 175.81 2a4k s VAL 58 N 1.73 4.38 -0.02 2.92 1.01 -1.26 -3.04 120.40 126.12 2a4k s VAL 58 Ca 0.02 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.33 2a4k s VAL 58 Cb -0.14 -4.21 0.07 0.00 0.00 0.00 0.00 36.38 32.10 2a4k s VAL 58 CO -0.07 -0.32 0.67 0.00 0.00 0.00 0.00 175.10 175.37 2a4k s ALA 59 N 3.71 -1.75 -0.41 5.51 0.00 -0.78 -4.98 121.76 123.05 2a4k s ALA 59 Ca 0.51 1.21 -0.14 0.00 0.00 0.00 0.00 51.96 53.53 2a4k s ALA 59 Cb -0.17 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.11 2a4k s ALA 59 CO 0.15 -0.43 0.30 0.34 0.00 0.00 0.00 175.76 176.13 2a4k s ASP 60 N -1.41 6.03 0.00 0.00 -1.08 -1.26 -3.22 116.67 115.73 2a4k s ASP 60 Ca -0.09 -1.01 0.23 0.00 -0.52 0.00 0.00 52.55 51.15 2a4k s ASP 60 Cb -0.00 -2.13 1.36 0.00 -1.46 0.00 0.00 42.92 40.69 2a4k s ASP 60 CO 0.07 -0.48 1.74 1.33 0.52 0.00 0.00 175.17 178.36 2a4k n VAL 61 N 5.13 0.00 1.05 1.11 0.24 -1.26 -1.47 118.33 123.13 2a4k n VAL 61 Ca -0.11 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.32 2a4k n VAL 61 Cb 0.46 -0.61 0.43 0.00 -1.47 0.00 0.00 33.84 32.65 2a4k n VAL 61 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2a4k n SER 62 N -0.98 0.32 -4.55 -1.34 3.41 -1.26 -4.27 113.62 104.95 2a4k n SER 62 Ca 0.17 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.35 2a4k n SER 62 Cb 0.08 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2a4k n SER 62 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2a4k s ASP 63 N -2.93 6.35 0.48 4.04 -1.08 -0.54 -4.82 116.67 118.16 2a4k s ASP 63 Ca 0.14 -0.07 0.20 0.00 -0.52 0.00 0.00 52.55 52.30 2a4k s ASP 63 Cb 0.18 -2.30 1.22 0.00 -1.46 0.00 0.00 42.92 40.57 2a4k s ASP 63 CO 0.61 -0.58 1.98 -0.65 0.52 0.00 0.00 175.17 177.04 2a4k h PRO 64 N 8.56 0.19 0.06 4.34 0.11 -1.86 -1.82 132.00 141.59 2a4k h PRO 64 Ca -0.27 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.59 2a4k h PRO 64 Cb 1.11 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2a4k h PRO 64 CO 0.82 0.13 -1.09 0.87 -0.21 0.00 0.00 178.00 178.51 2a4k h LYS 65 N 0.20 0.14 -0.59 1.05 1.57 -1.93 -2.56 116.57 114.45 2a4k h LYS 65 Ca 0.28 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2a4k h LYS 65 Cb 0.82 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 2a4k h LYS 65 CO -0.05 1.09 0.19 0.00 -0.57 0.00 0.00 179.45 180.12 2a4k h ALA 66 N 0.81 0.77 -0.08 3.86 0.00 -1.64 -2.35 119.26 120.63 2a4k h ALA 66 Ca -0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2a4k h ALA 66 Cb 1.83 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2a4k h ALA 66 CO 0.16 0.43 0.05 0.28 0.00 0.00 0.00 179.25 180.17 2a4k h VAL 67 N 0.83 1.07 -0.57 0.00 2.07 -1.38 0.47 116.25 118.73 2a4k h VAL 67 Ca 0.19 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2a4k h VAL 67 Cb 0.27 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2a4k h VAL 67 CO -0.01 0.06 0.29 -0.33 0.02 0.00 0.00 177.57 177.60 2a4k h GLU 68 N 0.06 0.53 -0.29 1.57 4.39 -1.48 -2.24 114.58 117.13 2a4k h GLU 68 Ca 0.03 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2a4k h GLU 68 Cb 0.05 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2a4k h GLU 68 CO -0.01 0.35 0.03 0.00 -1.16 0.00 0.00 179.01 178.23 2a4k h ALA 69 N 1.32 0.39 -0.71 3.43 0.00 -1.23 -1.64 119.26 120.82 2a4k h ALA 69 Ca 0.26 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2a4k h ALA 69 Cb 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2a4k h ALA 69 CO -0.18 0.10 0.24 -0.24 0.00 0.00 0.00 179.25 179.17 2a4k h VAL 70 N 0.31 1.25 -0.24 0.00 3.04 -0.74 -0.59 116.25 119.27 2a4k h VAL 70 Ca 0.09 -0.84 -0.12 0.00 -1.01 0.00 0.00 66.70 64.82 2a4k h VAL 70 Cb 0.37 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.08 2a4k h VAL 70 CO 0.01 0.33 -0.34 -0.26 -1.01 0.00 0.00 177.57 176.30 2a4k h PHE 71 N 1.05 0.60 -0.43 3.17 0.04 -1.39 -1.91 116.94 118.08 2a4k h PHE 71 Ca 0.23 -0.16 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 2a4k h PHE 71 Cb 0.26 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 2a4k h PHE 71 CO 0.02 0.80 -0.03 0.00 -0.60 0.00 0.00 178.31 178.50 2a4k h ALA 72 N 1.19 0.58 -0.62 2.45 0.00 -0.87 -2.39 119.26 119.60 2a4k h ALA 72 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2a4k h ALA 72 Cb 0.81 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2a4k h ALA 72 CO 0.07 0.39 0.39 0.93 0.00 0.00 0.00 179.25 181.03 2a4k h GLU 73 N 0.60 0.83 -0.62 0.00 5.08 -1.09 -1.69 114.58 117.69 2a4k h GLU 73 Ca 0.12 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2a4k h GLU 73 Cb 0.53 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2a4k h GLU 73 CO 0.03 0.57 0.37 0.00 -1.00 0.00 0.00 179.01 178.98 2a4k h ALA 74 N 1.21 0.81 -0.32 3.43 0.00 -1.19 -1.40 119.26 121.79 2a4k h ALA 74 Ca 0.22 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2a4k h ALA 74 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2a4k h ALA 74 CO -0.05 0.10 -0.43 -0.07 0.00 0.00 0.00 179.25 178.80 2a4k h LEU 75 N 0.72 0.88 -0.90 0.00 3.38 -1.27 -1.69 115.31 116.43 2a4k h LEU 75 Ca 0.26 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2a4k h LEU 75 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2a4k h LEU 75 CO -0.12 1.19 0.11 -0.33 0.09 0.00 0.00 178.44 179.38 2a4k h GLU 76 N 0.66 0.91 0.02 1.13 5.08 -1.14 0.32 114.58 121.56 2a4k h GLU 76 Ca 0.04 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2a4k h GLU 76 Cb 1.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2a4k h GLU 76 CO 0.10 0.84 -0.01 1.49 -1.00 0.00 0.00 179.01 180.43 2a4k h GLU 77 N 0.87 -0.02 -0.01 2.33 4.57 -1.26 -3.41 114.58 117.65 2a4k h GLU 77 Ca 0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2a4k h GLU 77 Cb 0.36 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2a4k h GLU 77 CO 0.01 0.55 -0.09 1.19 -1.18 0.00 0.00 179.01 179.49 2a4k n PHE 78 N -4.82 0.00 0.00 0.92 3.72 -0.64 -5.04 117.46 111.60 2a4k n PHE 78 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2a4k n PHE 78 Cb 0.30 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 2a4k n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2a4k n GLY 79 N 0.64 1.78 3.14 1.37 0.00 0.11 -4.88 105.19 107.35 2a4k n GLY 79 Ca 0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 2a4k n GLY 79 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a4k s ARG 80 N 0.00 0.73 -0.08 1.61 1.04 -1.26 -4.90 118.95 116.09 2a4k s ARG 80 Ca 0.00 -1.12 0.03 0.00 -1.04 0.00 0.00 55.73 53.60 2a4k s ARG 80 Cb 0.00 0.27 0.00 0.00 -2.04 0.00 0.00 34.95 33.18 2a4k s ARG 80 CO 0.00 -0.19 -0.19 -1.17 -0.04 0.00 0.00 175.30 173.71 2a4k s LEU 81 N -2.90 1.90 -0.10 -1.89 2.96 -1.26 -4.69 118.68 112.70 2a4k s LEU 81 Ca 0.07 -0.44 0.13 0.00 -0.22 0.00 0.00 54.13 53.68 2a4k s LEU 81 Cb 0.07 -1.14 -0.19 0.00 0.50 0.00 0.00 46.19 45.43 2a4k s LEU 81 CO -0.10 0.12 0.14 1.41 -1.32 0.00 0.00 176.35 176.60 2a4k n HIS 82 N 3.56 0.00 -3.61 5.38 8.25 -0.29 -3.64 115.22 124.88 2a4k n HIS 82 Ca -0.20 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.13 2a4k n HIS 82 Cb 0.52 -0.57 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 2a4k n HIS 82 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2a4k s GLY 83 N -4.37 -0.35 -0.07 -1.41 0.00 -0.98 -2.12 107.32 98.03 2a4k s GLY 83 Ca -0.06 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.94 2a4k s GLY 83 CO 0.58 0.02 -0.02 0.14 0.00 0.00 0.00 173.10 173.82 2a4k s VAL 84 N -2.99 0.45 -0.40 1.40 1.01 -0.51 -1.02 120.40 118.34 2a4k s VAL 84 Ca -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 2a4k s VAL 84 Cb 0.00 -0.57 0.10 0.00 0.00 0.00 0.00 36.38 35.91 2a4k s VAL 84 CO -0.06 0.25 0.19 0.00 0.00 0.00 0.00 175.10 175.49 2a4k s ALA 85 N 1.65 3.15 -1.22 5.51 0.00 0.06 0.25 121.76 131.16 2a4k s ALA 85 Ca 0.00 -2.35 -0.13 0.00 0.00 0.00 0.00 51.96 49.49 2a4k s ALA 85 Cb -0.13 -2.42 0.17 0.00 0.00 0.00 0.00 23.12 20.74 2a4k s ALA 85 CO -0.04 -1.70 1.51 1.58 0.00 0.00 0.00 175.76 177.11 2a4k n HIS 86 N 4.69 4.68 0.99 0.00 -0.00 -0.06 -1.89 115.22 123.63 2a4k n HIS 86 Ca -0.06 -3.27 0.14 0.00 0.46 0.00 0.00 57.72 54.99 2a4k n HIS 86 Cb 0.42 -2.17 0.62 0.00 -0.12 0.00 0.00 29.99 28.74 2a4k n HIS 86 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2a4k n PHE 87 N 5.44 0.00 0.29 1.57 3.72 -1.04 -2.96 117.46 124.48 2a4k n PHE 87 Ca 0.38 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.94 2a4k n PHE 87 Cb 0.42 -0.50 0.78 0.00 -0.94 0.00 0.00 39.48 39.23 2a4k n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a4k h ALA 88 N 2.99 1.00 0.00 4.37 0.00 -1.86 -2.59 119.26 123.18 2a4k h ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a4k h ALA 88 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2a4k h ALA 88 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.03 2a4k h GLY 89 N 0.91 0.00 -0.04 0.00 0.00 -1.83 -1.79 103.07 100.31 2a4k h GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a4k h GLY 89 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 2a4k n VAL 90 N -2.57 1.70 -1.69 4.60 0.24 -0.98 -4.61 118.33 115.03 2a4k n VAL 90 Ca -0.01 -1.97 -0.43 0.00 -2.04 0.00 0.00 64.34 59.88 2a4k n VAL 90 Cb 0.11 -0.07 -0.01 0.00 -1.47 0.00 0.00 33.84 32.39 2a4k n VAL 90 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a4k n ALA 91 N -1.20 1.31 -2.17 2.33 0.00 -0.68 -2.47 120.51 117.64 2a4k n ALA 91 Ca 0.13 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.78 2a4k n ALA 91 Cb 0.56 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 2a4k n ALA 91 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2a4k n HIS 92 N 0.97 -0.64 -0.05 0.00 8.25 -1.26 -4.94 115.22 117.55 2a4k n HIS 92 Ca 0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.45 2a4k n HIS 92 Cb 0.35 -3.21 -0.01 0.00 1.12 0.00 0.00 29.99 28.23 2a4k n HIS 92 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2a4k h SER 93 N 0.00 -0.63 -0.13 0.41 4.64 -1.91 -1.72 113.55 114.21 2a4k h SER 93 Ca -0.37 0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.02 2a4k h SER 93 Cb 1.24 0.31 -0.03 0.00 -0.31 0.00 0.00 62.40 63.62 2a4k h SER 93 CO 0.46 -0.24 0.06 0.00 -0.87 0.00 0.00 176.83 176.24 2a4k n ALA 94 N -2.73 2.88 -0.60 5.18 0.00 -1.26 -5.15 120.51 118.83 2a4k n ALA 94 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2a4k n ALA 94 Cb 0.26 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2a4k n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2a4k n LEU 95 N 0.18 0.00 -2.20 0.00 4.32 -0.65 -4.95 117.00 113.70 2a4k n LEU 95 Ca 0.07 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.06 2a4k n LEU 95 Cb 0.57 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.36 2a4k n LEU 95 CO 0.08 -0.06 -0.45 -0.81 -1.22 0.00 0.00 177.39 174.93 2a4k n PRO 100 N 0.00 -4.44 -0.14 3.23 -0.05 -1.26 -5.02 135.00 127.33 2a4k n PRO 100 Ca 0.00 3.30 0.08 0.00 -0.05 0.00 0.00 63.50 66.83 2a4k n PRO 100 Cb 0.00 -4.21 0.15 0.00 -0.05 0.00 0.00 33.50 29.39 2a4k n PRO 100 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 2a4k n LEU 101 N 1.57 -0.01 0.01 1.53 7.94 -1.26 0.24 117.00 127.02 2a4k n LEU 101 Ca -0.05 0.70 -0.12 0.00 -1.11 0.00 0.00 56.01 55.43 2a4k n LEU 101 Cb 0.08 -0.27 -0.06 0.00 0.53 0.00 0.00 43.42 43.69 2a4k n LEU 101 CO 0.05 -0.72 0.86 -0.08 -1.11 0.00 0.00 177.39 176.39 2a4k h GLU 102 N 0.00 0.08 -0.10 1.96 4.57 -2.06 -0.63 114.58 118.40 2a4k h GLU 102 Ca 0.27 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.32 2a4k h GLU 102 Cb 0.60 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 2a4k h GLU 102 CO -0.37 0.12 -0.46 0.00 -1.18 0.00 0.00 179.01 177.11 2a4k h ALA 103 N 0.96 1.03 -0.49 2.92 0.00 -0.66 -2.90 119.26 120.11 2a4k h ALA 103 Ca 0.02 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 2a4k h ALA 103 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2a4k h ALA 103 CO -0.00 0.63 -0.17 2.35 0.00 0.00 0.00 179.25 182.06 2a4k h TRP 104 N 0.21 1.09 -0.44 0.00 7.01 -1.16 -2.80 115.95 119.85 2a4k h TRP 104 Ca 0.01 -0.24 -0.08 0.00 2.11 0.00 0.00 58.89 60.69 2a4k h TRP 104 Cb 0.90 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.68 2a4k h TRP 104 CO 0.02 1.05 -0.04 1.49 -2.79 0.00 0.00 178.44 178.16 2a4k h GLU 105 N 0.85 0.81 -0.35 2.65 4.22 -1.02 -2.45 114.58 119.29 2a4k h GLU 105 Ca 0.12 -0.28 -0.07 0.00 0.08 0.00 0.00 59.36 59.21 2a4k h GLU 105 Cb 0.73 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2a4k h GLU 105 CO 0.06 0.89 -0.10 -0.22 -2.18 0.00 0.00 179.01 177.46 2a4k h LYS 106 N 0.65 0.59 -0.21 1.92 1.63 -1.53 0.13 116.57 119.76 2a4k h LYS 106 Ca 0.12 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2a4k h LYS 106 Cb 0.55 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 2a4k h LYS 106 CO 0.03 0.68 0.12 0.28 -3.45 0.00 0.00 179.45 177.11 2a4k h VAL 107 N 0.55 1.09 -0.51 2.00 2.07 -1.41 -0.35 116.25 119.69 2a4k h VAL 107 Ca 0.10 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 2a4k h VAL 107 Cb 0.50 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2a4k h VAL 107 CO 0.03 0.09 0.06 -0.07 0.02 0.00 0.00 177.57 177.70 2a4k h LEU 108 N 0.24 0.83 0.17 2.57 3.38 -1.09 -1.18 115.31 120.24 2a4k h LEU 108 Ca 0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2a4k h LEU 108 Cb 0.04 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2a4k h LEU 108 CO -0.01 0.89 -0.08 -0.09 0.09 0.00 0.00 178.44 179.23 2a4k h ARG 109 N 0.73 -0.23 -0.87 1.13 9.65 -0.63 -1.26 114.38 122.90 2a4k h ARG 109 Ca 0.15 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.03 2a4k h ARG 109 Cb 0.43 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 2a4k h ARG 109 CO 0.01 -0.10 0.47 0.28 2.80 0.00 0.00 179.97 183.43 2a4k h VAL 110 N -0.29 1.26 -0.82 0.20 2.07 -1.08 -1.55 116.25 116.03 2a4k h VAL 110 Ca -0.02 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 2a4k h VAL 110 Cb 0.23 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 2a4k h VAL 110 CO 0.04 0.29 0.37 0.78 0.02 0.00 0.00 177.57 179.07 2a4k h ASN 111 N 1.23 1.10 -0.38 0.57 2.35 -1.11 -2.13 115.58 117.21 2a4k h ASN 111 Ca 0.31 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 2a4k h ASN 111 Cb 0.05 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2a4k h ASN 111 CO -0.05 0.95 -0.13 0.25 -1.65 0.00 0.00 177.43 176.80 2a4k h LEU 112 N 1.19 0.83 -0.18 1.61 5.85 -0.83 -1.78 115.31 122.00 2a4k h LEU 112 Ca 0.28 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2a4k h LEU 112 Cb 0.16 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2a4k h LEU 112 CO -0.03 0.97 0.02 0.74 -0.34 0.00 0.00 178.44 179.80 2a4k h THR 113 N 0.75 0.90 -0.79 1.05 2.02 -1.05 -1.37 112.91 114.42 2a4k h THR 113 Ca 0.12 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2a4k h THR 113 Cb 0.64 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2a4k h THR 113 CO 0.04 0.01 0.51 1.23 0.37 0.00 0.00 175.52 177.69 2a4k h GLY 114 N 0.08 1.12 0.99 2.16 0.00 -1.15 -2.46 103.07 103.81 2a4k h GLY 114 Ca 0.08 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 2a4k h GLY 114 CO -0.12 0.42 0.02 1.76 0.00 0.00 0.00 176.54 178.62 2a4k h SER 115 N 1.08 0.79 -0.07 0.19 0.02 -1.03 -1.16 113.55 113.37 2a4k h SER 115 Ca 0.29 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2a4k h SER 115 Cb -0.10 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 2a4k h SER 115 CO -0.06 0.89 -0.08 0.15 -1.14 0.00 0.00 176.83 176.59 2a4k h PHE 116 N 0.67 -0.19 -0.21 3.45 3.57 -1.03 -1.76 116.94 121.44 2a4k h PHE 116 Ca 0.14 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.48 2a4k h PHE 116 Cb 0.47 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2a4k h PHE 116 CO 0.04 -0.12 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.41 2a4k h LEU 117 N -0.10 0.81 -0.37 0.59 3.38 -1.31 -1.83 115.31 116.47 2a4k h LEU 117 Ca 0.06 -0.57 -0.08 0.00 0.09 0.00 0.00 57.88 57.38 2a4k h LEU 117 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2a4k h LEU 117 CO -0.13 1.23 -0.08 0.58 0.09 0.00 0.00 178.44 180.13 2a4k h VAL 118 N 0.42 1.28 -0.46 1.22 2.07 -1.27 -2.37 116.25 117.14 2a4k h VAL 118 Ca -0.01 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.42 2a4k h VAL 118 Cb 1.12 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 2a4k h VAL 118 CO 0.11 0.38 0.22 0.00 0.02 0.00 0.00 177.57 178.30 2a4k h ALA 119 N 0.83 0.57 -0.25 1.67 0.00 -1.27 0.14 119.26 120.95 2a4k h ALA 119 Ca 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2a4k h ALA 119 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2a4k h ALA 119 CO 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 179.25 179.13 2a4k h ARG 120 N 0.44 0.45 -0.45 0.00 2.47 -1.34 -0.64 114.38 115.31 2a4k h ARG 120 Ca 0.20 -0.15 -0.09 0.00 -1.26 0.00 0.00 59.98 58.68 2a4k h ARG 120 Cb 0.12 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2a4k h ARG 120 CO -0.15 0.64 -0.06 -0.22 0.56 0.00 0.00 179.97 180.74 2a4k h LYS 121 N 0.22 0.84 -0.74 0.04 1.63 -1.31 -1.98 116.57 115.27 2a4k h LYS 121 Ca 0.07 -0.30 0.04 0.00 -0.85 0.00 0.00 60.65 59.61 2a4k h LYS 121 Cb 0.45 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 2a4k h LYS 121 CO 0.02 0.93 0.45 0.00 -3.45 0.00 0.00 179.45 177.40 2a4k h ALA 122 N 0.89 0.98 -0.88 5.00 0.00 -0.71 -1.82 119.26 122.71 2a4k h ALA 122 Ca 0.12 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2a4k h ALA 122 Cb 0.59 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2a4k h ALA 122 CO 0.04 0.21 0.57 0.78 0.00 0.00 0.00 179.25 180.85 2a4k h GLY 123 N 0.87 1.27 0.97 0.00 0.00 -0.77 -0.12 103.07 105.29 2a4k h GLY 123 Ca 0.31 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 2a4k h GLY 123 CO -0.13 0.21 -0.27 0.83 0.00 0.00 0.00 176.54 177.17 2a4k h GLU 124 N 0.88 0.71 0.00 4.80 5.08 -0.60 -3.38 114.58 122.07 2a4k h GLU 124 Ca 0.41 -0.37 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 2a4k h GLU 124 Cb 0.40 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2a4k h GLU 124 CO -0.17 0.98 -2.13 1.33 -1.00 0.00 0.00 179.01 178.01 2a4k n VAL 125 N -4.27 0.53 -1.88 3.13 0.24 -0.83 -4.94 118.33 110.31 2a4k n VAL 125 Ca -0.04 -0.63 -0.41 0.00 -2.04 0.00 0.00 64.34 61.22 2a4k n VAL 125 Cb 0.46 -0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 32.64 2a4k n VAL 125 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2a4k s LEU 126 N -4.89 4.36 0.61 1.34 1.43 -0.09 -4.63 118.68 116.80 2a4k s LEU 126 Ca -0.09 2.88 0.03 0.00 -1.03 0.00 0.00 54.13 55.92 2a4k s LEU 126 Cb 0.11 -3.64 0.08 0.00 0.03 0.00 0.00 46.19 42.76 2a4k s LEU 126 CO 0.88 -0.81 0.84 -1.83 0.23 0.00 0.00 176.35 175.66 2a4k s GLU 127 N -1.09 2.19 0.09 1.70 -1.05 -1.24 -4.93 118.70 114.37 2a4k s GLU 127 Ca 0.58 -1.13 -0.36 0.00 -0.15 0.00 0.00 54.97 53.90 2a4k s GLU 127 Cb -0.45 -2.49 -0.17 0.00 -0.44 0.00 0.00 34.13 30.58 2a4k s GLU 127 CO 0.52 -0.98 1.21 0.39 0.95 0.00 0.00 175.26 177.35 2a4k n GLU 128 N -2.46 0.84 -0.86 -4.83 4.71 -1.25 -0.84 120.64 115.96 2a4k n GLU 128 Ca 0.12 0.30 0.00 0.00 -0.01 0.00 0.00 57.16 57.58 2a4k n GLU 128 Cb 0.60 -1.86 0.00 0.00 -1.01 0.00 0.00 31.44 29.18 2a4k n GLU 128 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2a4k n GLY 129 N 2.15 0.89 3.66 0.62 0.00 -0.95 -4.98 105.19 106.59 2a4k n GLY 129 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2a4k n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a4k s GLY 130 N -1.88 1.56 -0.11 -0.02 0.00 -0.02 -4.82 107.32 102.04 2a4k s GLY 130 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 44.72 44.34 2a4k s GLY 130 CO 0.00 0.27 0.16 -0.45 0.00 0.00 0.00 173.10 173.08 2a4k s SER 131 N -3.40 1.05 -0.26 1.64 0.15 -0.90 -1.16 113.70 110.83 2a4k s SER 131 Ca 0.66 0.12 -0.09 0.00 0.70 0.00 0.00 55.95 57.34 2a4k s SER 131 Cb -0.19 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2a4k s SER 131 CO 0.58 -0.27 0.12 -0.22 1.20 0.00 0.00 173.24 174.65 2a4k s LEU 132 N 2.27 3.72 -0.32 3.45 2.96 -0.41 -1.43 118.68 128.94 2a4k s LEU 132 Ca 0.04 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 2a4k s LEU 132 Cb -0.13 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.58 2a4k s LEU 132 CO -0.07 -0.02 0.09 -0.69 -1.32 0.00 0.00 176.35 174.34 2a4k s VAL 133 N 1.55 3.81 0.59 1.68 1.01 0.14 -2.38 120.40 126.79 2a4k s VAL 133 Ca 0.06 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 2a4k s VAL 133 Cb -0.15 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 33.21 2a4k s VAL 133 CO 0.06 -0.05 0.83 -0.76 0.00 0.00 0.00 175.10 175.18 2a4k s LEU 134 N 1.44 3.18 0.05 3.92 1.43 -0.27 -0.88 118.68 127.55 2a4k s LEU 134 Ca 0.00 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2a4k s LEU 134 Cb -0.18 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 2a4k s LEU 134 CO 0.02 -1.26 -0.05 0.42 0.23 0.00 0.00 176.35 175.71 2a4k s THR 135 N -2.86 0.38 0.11 5.49 -4.23 -1.25 -1.32 115.64 111.96 2a4k s THR 135 Ca 0.58 -1.49 -0.19 0.00 -1.18 0.00 0.00 61.69 59.42 2a4k s THR 135 Cb -0.10 -1.09 0.04 0.00 1.34 0.00 0.00 72.50 72.70 2a4k s THR 135 CO 0.40 -0.73 0.46 -0.83 -0.54 0.00 0.00 174.62 173.38 2a4k s GLY 136 N -2.34 -0.37 -0.14 3.99 0.00 -0.38 -4.65 107.32 103.43 2a4k s GLY 136 Ca -0.00 0.19 -0.02 0.00 0.00 0.00 0.00 44.72 44.89 2a4k s GLY 136 CO -0.04 -0.09 -0.09 -0.45 0.00 0.00 0.00 173.10 172.42 2a4k s SER 137 N -2.60 4.31 -0.02 1.64 0.15 -1.26 -3.08 113.70 112.83 2a4k s SER 137 Ca 0.01 -0.26 0.14 0.00 0.70 0.00 0.00 55.95 56.54 2a4k s SER 137 Cb 0.01 -1.68 0.42 0.00 -1.71 0.00 0.00 66.02 63.06 2a4k s SER 137 CO -0.10 0.16 1.35 1.33 1.20 0.00 0.00 173.24 177.18 2a4k n VAL 138 N 3.60 1.16 -2.20 4.45 0.24 -0.85 -4.98 118.33 119.76 2a4k n VAL 138 Ca -0.18 -1.09 -0.41 0.00 -2.04 0.00 0.00 64.34 60.63 2a4k n VAL 138 Cb 0.52 0.41 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 2a4k n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a4k s ALA 139 N -1.21 3.51 -0.26 2.33 0.00 -1.26 -3.61 121.76 121.27 2a4k s ALA 139 Ca 0.32 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2a4k s ALA 139 Cb 0.18 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2a4k s ALA 139 CO 0.19 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2a4k n GLY 140 N 1.57 0.43 3.80 0.00 0.00 -1.26 -5.02 105.19 104.72 2a4k n GLY 140 Ca 0.03 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2a4k n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a4k s LEU 141 N -0.56 4.34 0.00 0.99 1.43 -1.24 -5.10 118.68 118.55 2a4k s LEU 141 Ca 0.00 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.65 2a4k s LEU 141 Cb 0.00 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2a4k s LEU 141 CO 0.00 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.19 2a4k n GLY 142 N 0.66 1.97 0.31 -3.19 0.00 -1.26 -4.87 105.19 98.81 2a4k n GLY 142 Ca -0.01 -2.13 0.13 0.00 0.00 0.00 0.00 46.02 44.01 2a4k n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a4k h ALA 143 N 0.45 1.24 0.11 4.61 0.00 -1.99 -1.55 119.26 122.14 2a4k h ALA 143 Ca 0.00 0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.88 2a4k h ALA 143 Cb 0.00 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2a4k h ALA 143 CO 0.00 -0.49 -1.20 0.74 0.00 0.00 0.00 179.25 178.31 2a4k h PHE 144 N 0.17 0.69 -0.51 0.00 0.04 -1.99 -2.36 116.94 112.99 2a4k h PHE 144 Ca 0.55 -0.46 0.03 0.00 2.80 0.00 0.00 57.97 60.90 2a4k h PHE 144 Cb 1.12 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 39.18 2a4k h PHE 144 CO -0.30 1.32 0.28 0.78 -0.60 0.00 0.00 178.31 179.80 2a4k h GLY 145 N 1.05 0.72 1.04 -1.45 0.00 -1.75 -1.01 103.07 101.67 2a4k h GLY 145 Ca -0.15 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 2a4k h GLY 145 CO 0.21 0.15 -0.01 1.41 0.00 0.00 0.00 176.54 178.31 2a4k h LEU 146 N 0.56 0.93 -0.85 3.11 3.38 -1.36 -2.54 115.31 118.53 2a4k h LEU 146 Ca 0.22 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2a4k h LEU 146 Cb 0.08 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2a4k h LEU 146 CO -0.12 1.01 0.48 0.00 0.09 0.00 0.00 178.44 179.90 2a4k h ALA 147 N 0.95 1.09 -0.53 1.53 0.00 -1.16 0.32 119.26 121.45 2a4k h ALA 147 Ca 0.15 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2a4k h ALA 147 Cb 0.54 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2a4k h ALA 147 CO 0.03 0.59 0.30 1.25 0.00 0.00 0.00 179.25 181.41 2a4k h HIS 148 N 1.18 0.55 0.05 0.00 -0.00 -1.01 0.95 115.15 116.87 2a4k h HIS 148 Ca 0.30 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.69 2a4k h HIS 148 Cb 0.01 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 2a4k h HIS 148 CO 0.00 0.29 -0.02 1.88 -0.00 0.00 0.00 177.93 180.08 2a4k h TYR 149 N 0.58 -0.06 -0.87 5.26 0.05 -1.13 -3.27 116.97 117.53 2a4k h TYR 149 Ca 0.22 -0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.12 2a4k h TYR 149 Cb 0.08 0.02 -0.08 0.00 1.01 0.00 0.00 36.73 37.76 2a4k h TYR 149 CO -0.08 0.44 0.49 0.00 -1.05 0.00 0.00 178.16 177.96 2a4k h ALA 150 N 0.32 1.28 -0.22 3.88 0.00 -0.24 -2.57 119.26 121.72 2a4k h ALA 150 Ca -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2a4k h ALA 150 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2a4k h ALA 150 CO 0.01 0.06 -0.06 0.00 0.00 0.00 0.00 179.25 179.26 2a4k h ALA 151 N 1.51 1.49 -0.08 0.00 0.00 -0.89 -3.47 119.26 117.82 2a4k h ALA 151 Ca 0.44 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2a4k h ALA 151 Cb 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2a4k h ALA 151 CO -0.29 0.36 -0.03 0.41 0.00 0.00 0.00 179.25 179.70 2a4k n GLY 152 N -0.94 0.37 0.12 0.00 0.00 -0.97 -4.89 105.19 98.88 2a4k n GLY 152 Ca 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2a4k n GLY 152 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a4k h LYS 153 N 0.38 0.28 0.00 1.61 1.57 -1.88 -3.14 116.57 115.38 2a4k h LYS 153 Ca -0.03 -0.48 -0.53 0.00 -1.87 0.00 0.00 60.65 57.74 2a4k h LYS 153 Cb 0.59 0.18 -0.10 0.00 0.08 0.00 0.00 32.23 32.98 2a4k h LYS 153 CO 0.05 1.15 -0.39 1.28 -0.57 0.00 0.00 179.45 180.96 2a4k n LEU 154 N -3.48 0.00 0.00 2.94 4.77 -1.26 -4.38 117.00 115.60 2a4k n LEU 154 Ca -0.19 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.16 2a4k n LEU 154 Cb 1.05 0.44 0.00 0.00 -2.33 0.00 0.00 43.42 42.59 2a4k n LEU 154 CO 0.50 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 2a4k n GLY 155 N -0.09 0.92 0.32 -0.72 0.00 -1.26 -1.77 105.19 102.60 2a4k n GLY 155 Ca -0.14 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.19 2a4k n GLY 155 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2a4k h VAL 156 N 0.00 1.18 -0.41 1.61 3.04 -1.98 -1.82 116.25 117.87 2a4k h VAL 156 Ca 0.00 -0.46 -0.14 0.00 -1.01 0.00 0.00 66.70 65.08 2a4k h VAL 156 Cb 0.00 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 29.70 2a4k h VAL 156 CO 0.00 0.20 -0.31 0.58 -1.01 0.00 0.00 177.57 177.03 2a4k h VAL 157 N 0.79 1.27 -0.05 1.51 2.07 -1.89 -1.34 116.25 118.62 2a4k h VAL 157 Ca 0.20 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.26 2a4k h VAL 157 Cb 0.04 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2a4k h VAL 157 CO -0.03 0.50 -0.03 1.23 0.02 0.00 0.00 177.57 179.26 2a4k h GLY 158 N 0.76 0.02 0.24 2.17 0.00 -1.06 -0.98 103.07 104.23 2a4k h GLY 158 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.47 2a4k h GLY 158 CO 0.08 -0.04 -0.39 -2.00 0.00 0.00 0.00 176.54 174.20 2a4k h LEU 159 N -0.03 -1.16 -0.73 3.11 5.85 -1.21 -0.89 115.31 120.23 2a4k h LEU 159 Ca 0.03 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.95 2a4k h LEU 159 Cb 0.07 0.45 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 2a4k h LEU 159 CO -0.07 -0.45 0.43 0.00 -0.34 0.00 0.00 178.44 178.01 2a4k h ALA 160 N -0.00 1.00 -0.41 1.25 0.00 -1.19 0.10 119.26 120.01 2a4k h ALA 160 Ca 0.04 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2a4k h ALA 160 Cb 0.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2a4k h ALA 160 CO -0.27 0.13 -0.32 0.00 0.00 0.00 0.00 179.25 178.78 2a4k h ARG 161 N 0.79 0.94 -0.19 0.00 3.08 -1.03 0.11 114.38 118.07 2a4k h ARG 161 Ca 0.33 -0.45 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 2a4k h ARG 161 Cb 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2a4k h ARG 161 CO -0.18 1.11 0.05 1.15 -1.07 0.00 0.00 179.97 181.04 2a4k h THR 162 N 0.78 1.19 -0.65 2.04 2.02 -0.88 -2.95 112.91 114.47 2a4k h THR 162 Ca 0.08 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 2a4k h THR 162 Cb 0.90 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 2a4k h THR 162 CO 0.08 0.19 0.08 -0.07 0.37 0.00 0.00 175.52 176.18 2a4k h LEU 163 N 0.13 1.05 -0.61 2.58 3.38 -0.73 -2.77 115.31 118.34 2a4k h LEU 163 Ca 0.06 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 57.89 2a4k h LEU 163 Cb 0.24 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.63 2a4k h LEU 163 CO -0.00 1.05 0.12 0.00 0.09 0.00 0.00 178.44 179.70 2a4k h ALA 164 N 1.07 0.72 -0.66 1.53 0.00 -0.74 0.53 119.26 121.70 2a4k h ALA 164 Ca 0.20 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2a4k h ALA 164 Cb 0.46 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2a4k h ALA 164 CO 0.02 -0.31 0.25 -0.07 0.00 0.00 0.00 179.25 179.13 2a4k h LEU 165 N 0.25 0.93 -0.32 0.00 3.38 -1.41 -2.14 115.31 116.00 2a4k h LEU 165 Ca 0.32 -0.18 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 2a4k h LEU 165 Cb 0.49 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2a4k h LEU 165 CO -0.42 0.86 -0.58 -0.33 0.09 0.00 0.00 178.44 178.06 2a4k h GLU 166 N 0.94 0.81 0.00 1.13 5.08 -1.07 -3.31 114.58 118.16 2a4k h GLU 166 Ca 0.22 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2a4k h GLU 166 Cb 0.23 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2a4k h GLU 166 CO -0.02 1.16 -0.56 1.28 -1.00 0.00 0.00 179.01 179.87 2a4k n LEU 167 N -3.99 0.57 0.10 1.33 4.77 0.10 -4.20 117.00 115.68 2a4k n LEU 167 Ca -0.05 0.11 0.16 0.00 -0.03 0.00 0.00 56.01 56.21 2a4k n LEU 167 Cb 0.64 -0.22 0.69 0.00 -2.33 0.00 0.00 43.42 42.20 2a4k n LEU 167 CO 0.50 0.04 1.14 0.00 -1.33 0.00 0.00 177.39 177.75 2a4k h ALA 168 N 2.77 2.27 -0.41 -1.18 0.00 -1.47 -1.77 119.26 119.48 2a4k h ALA 168 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2a4k h ALA 168 Cb 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2a4k h ALA 168 CO 0.00 -0.41 -0.10 0.07 0.00 0.00 0.00 179.25 178.81 2a4k h ARG 169 N 0.00 0.78 0.00 0.00 -0.00 -1.80 -2.04 114.38 111.32 2a4k h ARG 169 Ca 0.16 -0.30 0.00 0.00 -0.00 0.00 0.00 59.98 59.83 2a4k h ARG 169 Cb 0.64 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.57 2a4k h ARG 169 CO -0.00 0.91 0.00 1.17 -0.00 0.00 0.00 179.97 182.05 2a4k n LYS 170 N -4.33 0.15 -0.85 0.08 4.81 -0.74 -4.89 118.16 112.39 2a4k n LYS 170 Ca -0.01 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2a4k n LYS 170 Cb 0.36 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.91 2a4k n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2a4k n GLY 171 N 0.10 0.60 3.70 3.14 0.00 -0.77 -3.77 105.19 108.19 2a4k n GLY 171 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2a4k n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a4k s VAL 172 N -2.12 5.05 0.15 1.61 1.01 -0.78 -2.24 120.40 123.09 2a4k s VAL 172 Ca 0.00 1.35 -0.17 0.00 0.00 0.00 0.00 61.98 63.15 2a4k s VAL 172 Cb 0.00 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 2a4k s VAL 172 CO 0.00 0.22 0.61 -0.13 0.00 0.00 0.00 175.10 175.80 2a4k s ARG 173 N 1.07 4.13 -0.05 2.72 0.52 -0.31 -3.82 118.95 123.20 2a4k s ARG 173 Ca 0.34 0.68 -0.00 0.00 -0.52 0.00 0.00 55.73 56.23 2a4k s ARG 173 Cb -0.17 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.33 2a4k s ARG 173 CO 0.15 0.50 -0.02 0.08 0.02 0.00 0.00 175.30 176.03 2a4k s VAL 174 N -1.39 0.42 0.11 3.52 1.01 -1.26 -1.28 120.40 121.53 2a4k s VAL 174 Ca 0.37 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 2a4k s VAL 174 Cb -0.17 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2a4k s VAL 174 CO 0.20 0.23 0.01 0.20 0.00 0.00 0.00 175.10 175.74 2a4k s ASN 175 N 1.38 0.56 -0.03 3.32 0.01 -1.00 -0.06 114.94 119.12 2a4k s ASN 175 Ca -0.04 -1.13 0.04 0.00 -0.71 0.00 0.00 52.86 51.02 2a4k s ASN 175 Cb -0.13 0.23 -0.00 0.00 0.41 0.00 0.00 41.25 41.75 2a4k s ASN 175 CO -0.03 -0.65 -0.13 0.54 -1.51 0.00 0.00 177.10 175.32 2a4k s VAL 176 N -3.92 1.12 -0.19 1.60 0.11 0.12 -1.11 120.40 118.13 2a4k s VAL 176 Ca 0.18 -0.56 -0.13 0.00 -2.93 0.00 0.00 61.98 58.55 2a4k s VAL 176 Cb 0.07 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 2a4k s VAL 176 CO -0.02 0.33 0.26 -0.76 -3.33 0.00 0.00 175.10 171.58 2a4k s LEU 177 N 0.03 4.19 -0.79 2.54 1.43 -0.43 -0.46 118.68 125.18 2a4k s LEU 177 Ca -0.02 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 2a4k s LEU 177 Cb -0.09 -2.30 0.19 0.00 0.03 0.00 0.00 46.19 44.02 2a4k s LEU 177 CO 0.01 0.06 0.63 -0.76 0.23 0.00 0.00 176.35 176.52 2a4k s LEU 178 N 0.77 5.16 0.50 1.79 1.43 0.31 -1.24 118.68 127.40 2a4k s LEU 178 Ca 0.14 -3.82 -0.22 0.00 -1.03 0.00 0.00 54.13 49.19 2a4k s LEU 178 Cb -0.13 -1.76 -0.06 0.00 0.03 0.00 0.00 46.19 44.27 2a4k s LEU 178 CO 0.04 -0.12 1.26 -2.16 0.23 0.00 0.00 176.35 175.60 2a4k s PRO 179 N -1.44 3.44 0.00 1.29 0.04 -1.18 -1.61 135.00 135.54 2a4k s PRO 179 Ca 0.26 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2a4k s PRO 179 Cb -0.05 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.16 2a4k s PRO 179 CO -0.15 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.42 2a4k n GLY 180 N 0.59 0.69 3.65 0.56 0.00 0.51 -2.00 105.19 109.20 2a4k n GLY 180 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2a4k n GLY 180 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a4k s LEU 181 N 0.00 4.04 -0.10 0.99 2.96 -1.26 -4.29 118.68 121.01 2a4k s LEU 181 Ca 0.00 1.20 0.03 0.00 -0.22 0.00 0.00 54.13 55.15 2a4k s LEU 181 Cb 0.00 -3.49 0.00 0.00 0.50 0.00 0.00 46.19 43.20 2a4k s LEU 181 CO 0.00 -0.73 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.45 2a4k s ILE 182 N 3.33 1.91 -1.09 6.68 -1.09 -1.26 0.06 121.20 129.74 2a4k s ILE 182 Ca 0.43 -0.92 -0.22 0.00 -2.23 0.00 0.00 60.65 57.71 2a4k s ILE 182 Cb -0.14 -1.66 0.01 0.00 -1.58 0.00 0.00 42.46 39.09 2a4k s ILE 182 CO 0.10 0.53 1.70 -1.58 -1.23 0.00 0.00 174.94 174.45 2a4k s GLN 183 N 0.47 3.31 0.42 2.79 0.74 0.19 -4.88 119.66 122.70 2a4k s GLN 183 Ca -0.16 -1.18 0.08 0.00 0.05 0.00 0.00 55.36 54.15 2a4k s GLN 183 Cb -0.17 -5.33 -0.00 0.00 1.10 0.00 0.00 33.01 28.61 2a4k s GLN 183 CO 0.06 -2.73 0.48 0.95 -0.55 0.00 0.00 175.29 173.51 2a4k s THR 184 N 6.76 2.84 0.31 -0.34 -4.23 -1.26 -4.51 115.64 115.22 2a4k s THR 184 Ca 0.56 -1.15 -0.00 0.00 -1.18 0.00 0.00 61.69 59.92 2a4k s THR 184 Cb -0.00 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 71.07 2a4k s THR 184 CO -0.00 0.00 1.95 -0.65 -0.54 0.00 0.00 174.62 175.38 2a4k h PRO 185 N 0.81 0.92 0.00 3.99 0.11 -1.99 -2.21 132.00 133.63 2a4k h PRO 185 Ca -0.41 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2a4k h PRO 185 Cb 1.27 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2a4k h PRO 185 CO 0.50 0.66 0.00 -1.33 -0.21 0.00 0.00 178.00 177.63 2a4k n MET 186 N -4.38 0.13 0.03 1.05 2.81 -1.26 -2.05 117.12 113.45 2a4k n MET 186 Ca 0.07 0.53 0.13 0.00 -1.81 0.00 0.00 57.70 56.61 2a4k n MET 186 Cb 0.09 -1.85 0.33 0.00 -0.71 0.00 0.00 33.22 31.07 2a4k n MET 186 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2a4k n THR 187 N -2.12 0.17 -0.25 2.03 -2.24 -0.83 -3.97 114.28 107.07 2a4k n THR 187 Ca 0.00 -0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.62 2a4k n THR 187 Cb 0.10 -0.12 0.05 0.00 -2.10 0.00 0.00 70.33 68.26 2a4k n THR 187 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a4k h ALA 188 N 2.81 0.88 0.00 6.98 0.00 -1.51 -2.83 119.26 125.59 2a4k h ALA 188 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2a4k h ALA 188 Cb 0.60 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2a4k h ALA 188 CO 0.00 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.03 2a4k n GLY 189 N -1.13 1.92 3.80 0.00 0.00 -1.25 -4.82 105.19 103.70 2a4k n GLY 189 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2a4k n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a4k s LEU 190 N 0.00 4.06 0.24 0.99 1.43 -1.07 -5.08 118.68 119.25 2a4k s LEU 190 Ca 0.00 0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 53.11 2a4k s LEU 190 Cb 0.00 -2.03 -0.12 0.00 0.03 0.00 0.00 46.19 44.07 2a4k s LEU 190 CO 0.00 0.38 1.69 -2.16 0.23 0.00 0.00 176.35 176.48 2a4k s PRO 191 N -1.09 4.12 0.43 1.29 0.04 -1.26 -4.88 135.00 133.64 2a4k s PRO 191 Ca 0.16 2.61 0.21 0.00 0.04 0.00 0.00 61.00 64.02 2a4k s PRO 191 Cb -0.12 -3.05 1.18 0.00 0.04 0.00 0.00 34.50 32.55 2a4k s PRO 191 CO 0.05 -0.72 1.79 -1.35 0.04 0.00 0.00 177.00 176.81 2a4k h PRO 192 N 6.12 0.31 -0.59 0.56 0.11 -1.98 -1.27 132.00 135.27 2a4k h PRO 192 Ca -0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2a4k h PRO 192 Cb 1.21 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2a4k h PRO 192 CO 0.90 0.21 0.28 0.11 -0.21 0.00 0.00 178.00 179.29 2a4k h TRP 193 N 0.32 0.82 0.01 0.65 5.08 -1.99 -1.22 115.95 119.62 2a4k h TRP 193 Ca 0.56 -0.02 -0.18 0.00 1.08 0.00 0.00 58.89 60.33 2a4k h TRP 193 Cb 1.56 -0.26 0.01 0.00 -3.00 0.00 0.00 29.16 27.48 2a4k h TRP 193 CO -0.00 0.60 -0.71 0.00 -1.28 0.00 0.00 178.44 177.04 2a4k h ALA 194 N 1.49 0.08 -0.50 0.11 0.00 -1.62 -1.47 119.26 117.35 2a4k h ALA 194 Ca 0.21 -0.60 0.09 0.00 0.00 0.00 0.00 54.91 54.60 2a4k h ALA 194 Cb 0.08 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 2a4k h ALA 194 CO -0.03 0.43 0.07 2.35 0.00 0.00 0.00 179.25 182.07 2a4k h TRP 195 N -0.01 0.10 -0.27 0.00 2.91 -1.38 -1.94 115.95 115.37 2a4k h TRP 195 Ca -0.09 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 59.81 2a4k h TRP 195 Cb 1.42 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 30.09 2a4k h TRP 195 CO 0.14 -0.04 -0.45 0.93 -1.03 0.00 0.00 178.44 177.98 2a4k h GLU 196 N 0.20 0.68 -0.57 2.65 4.39 -1.24 -0.53 114.58 120.15 2a4k h GLU 196 Ca 0.25 -0.38 0.06 0.00 0.34 0.00 0.00 59.36 59.64 2a4k h GLU 196 Cb 0.35 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.97 2a4k h GLU 196 CO -0.36 1.00 0.26 0.37 -1.16 0.00 0.00 179.01 179.12 2a4k h GLN 197 N 0.55 0.48 -0.35 2.33 4.15 -1.10 0.61 115.11 121.78 2a4k h GLN 197 Ca 0.03 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 2a4k h GLN 197 Cb 1.00 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.58 2a4k h GLN 197 CO 0.09 0.32 -0.38 0.93 -1.93 0.00 0.00 178.83 177.86 2a4k h GLU 198 N 0.50 0.88 -0.08 1.69 4.39 -1.09 -2.37 114.58 118.50 2a4k h GLU 198 Ca 0.26 -0.48 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 2a4k h GLU 198 Cb 0.23 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2a4k h GLU 198 CO -0.21 1.12 0.05 0.28 -1.16 0.00 0.00 179.01 179.08 2a4k h VAL 199 N 0.68 1.08 -0.06 3.13 2.07 -0.99 -2.70 116.25 119.47 2a4k h VAL 199 Ca 0.05 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2a4k h VAL 199 Cb 0.97 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2a4k h VAL 199 CO 0.09 0.07 0.14 1.23 0.02 0.00 0.00 177.57 179.13 2a4k h GLY 200 N 0.04 0.00 1.34 2.17 0.00 -0.83 -1.91 103.07 103.88 2a4k h GLY 200 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2a4k h GLY 200 CO -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 176.54 176.17 2a4k n ALA 201 N -2.14 3.06 -2.54 3.60 0.00 -0.90 -4.79 120.51 116.81 2a4k n ALA 201 Ca -0.01 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 2a4k n ALA 201 Cb 0.22 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 2a4k n ALA 201 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2a4k s SER 202 N -3.28 6.04 0.32 0.00 0.15 -0.72 -4.52 113.70 111.68 2a4k s SER 202 Ca 0.11 -0.61 0.09 0.00 0.70 0.00 0.00 55.95 56.24 2a4k s SER 202 Cb 0.17 -2.13 0.93 0.00 -1.71 0.00 0.00 66.02 63.28 2a4k s SER 202 CO 0.65 -0.31 1.66 -0.65 1.20 0.00 0.00 173.24 175.80 2a4k h PRO 203 N 8.53 0.30 0.00 5.44 0.11 -1.79 0.26 132.00 144.85 2a4k h PRO 203 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2a4k h PRO 203 Cb 1.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2a4k h PRO 203 CO 0.67 0.20 0.00 1.28 -0.21 0.00 0.00 178.00 179.94 2a4k n LEU 204 N -5.10 0.00 -2.68 2.35 4.77 -1.06 -4.90 117.00 110.38 2a4k n LEU 204 Ca 0.27 0.46 -0.19 0.00 -0.03 0.00 0.00 56.01 56.53 2a4k n LEU 204 Cb 0.85 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2a4k n LEU 204 CO 0.09 -0.33 0.07 0.61 -1.33 0.00 0.00 177.39 176.50 2a4k n GLY 205 N -0.63 -0.29 3.78 -0.72 0.00 0.92 -5.01 105.19 103.24 2a4k n GLY 205 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 2a4k n GLY 205 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a4k s ARG 206 N -5.69 1.56 0.46 1.61 1.70 -1.26 -4.99 118.95 112.34 2a4k s ARG 206 Ca 0.33 -0.83 -0.18 0.00 -0.47 0.00 0.00 55.73 54.58 2a4k s ARG 206 Cb -0.15 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 34.70 2a4k s ARG 206 CO 0.41 -0.71 0.94 0.00 -1.08 0.00 0.00 175.30 174.86 2a4k s ALA 207 N -3.72 3.09 0.65 7.88 0.00 -1.26 -4.88 121.76 123.52 2a4k s ALA 207 Ca 0.10 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 2a4k s ALA 207 Cb -0.04 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2a4k s ALA 207 CO 0.03 -0.05 1.05 0.20 0.00 0.00 0.00 175.76 176.99 2a4k s GLY 208 N -2.70 1.65 0.03 0.00 0.00 0.11 -4.85 107.32 101.56 2a4k s GLY 208 Ca 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 44.72 45.16 2a4k s GLY 208 CO 0.24 0.16 0.19 0.50 0.00 0.00 0.00 173.10 174.19 2a4k s ARG 209 N -5.21 3.41 0.30 2.90 0.52 -1.26 -0.64 118.95 118.97 2a4k s ARG 209 Ca 0.56 -0.39 0.05 0.00 -0.52 0.00 0.00 55.73 55.43 2a4k s ARG 209 Cb -0.11 -3.05 0.76 0.00 0.52 0.00 0.00 34.95 33.06 2a4k s ARG 209 CO 0.54 0.64 1.70 -1.35 0.02 0.00 0.00 175.30 176.85 2a4k h PRO 210 N 3.46 0.42 -0.39 3.54 0.11 -1.92 -0.99 132.00 136.23 2a4k h PRO 210 Ca -0.47 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.67 2a4k h PRO 210 Cb 1.17 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2a4k h PRO 210 CO 0.72 0.28 0.27 0.93 -0.21 0.00 0.00 178.00 179.99 2a4k h GLU 211 N 0.44 0.31 -0.10 1.05 3.07 -1.91 -2.00 114.58 115.43 2a4k h GLU 211 Ca 0.57 -0.02 -0.20 0.00 -0.50 0.00 0.00 59.36 59.21 2a4k h GLU 211 Cb 1.09 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 2a4k h GLU 211 CO -0.52 0.20 -0.76 0.93 -1.40 0.00 0.00 179.01 177.46 2a4k h GLU 212 N 0.32 0.56 -0.33 2.33 5.08 -1.59 -1.15 114.58 119.80 2a4k h GLU 212 Ca 0.17 -0.47 -0.13 0.00 -1.00 0.00 0.00 59.36 57.93 2a4k h GLU 212 Cb 0.28 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2a4k h GLU 212 CO -0.04 1.09 -0.32 0.28 -1.00 0.00 0.00 179.01 179.02 2a4k h VAL 213 N 0.38 1.28 -0.47 3.13 2.07 -1.46 -2.53 116.25 118.65 2a4k h VAL 213 Ca -0.04 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 65.94 2a4k h VAL 213 Cb 1.37 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 2a4k h VAL 213 CO 0.14 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.21 2a4k h ALA 214 N 1.03 1.12 -0.35 1.67 0.00 -1.19 -2.13 119.26 119.41 2a4k h ALA 214 Ca 0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2a4k h ALA 214 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2a4k h ALA 214 CO 0.07 0.56 -0.25 1.96 0.00 0.00 0.00 179.25 181.59 2a4k h GLN 215 N 0.73 0.71 -0.59 0.00 1.08 -1.09 -1.11 115.11 114.84 2a4k h GLN 215 Ca 0.14 -0.29 -0.06 0.00 -1.45 0.00 0.00 58.65 56.99 2a4k h GLN 215 Cb 0.44 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2a4k h GLN 215 CO 0.02 0.89 0.13 0.00 -0.95 0.00 0.00 178.83 178.92 2a4k h ALA 216 N 1.10 0.78 -0.57 3.87 0.00 -1.17 -1.89 119.26 121.38 2a4k h ALA 216 Ca 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2a4k h ALA 216 Cb 0.75 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2a4k h ALA 216 CO 0.06 0.49 0.14 0.00 0.00 0.00 0.00 179.25 179.94 2a4k h ALA 217 N 1.03 0.75 -0.83 0.00 0.00 -1.29 -2.25 119.26 116.66 2a4k h ALA 217 Ca 0.18 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2a4k h ALA 217 Cb 0.36 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2a4k h ALA 217 CO 0.00 0.46 0.55 1.25 0.00 0.00 0.00 179.25 181.51 2a4k h LEU 218 N 0.81 0.95 -0.35 0.00 5.85 -0.99 0.48 115.31 122.07 2a4k h LEU 218 Ca 0.18 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2a4k h LEU 218 Cb 0.35 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2a4k h LEU 218 CO 0.00 0.69 0.16 0.15 -0.34 0.00 0.00 178.44 179.10 2a4k h PHE 219 N 1.12 0.29 0.00 1.25 3.57 -1.18 -0.83 116.94 121.16 2a4k h PHE 219 Ca 0.31 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.75 2a4k h PHE 219 Cb -0.12 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 2a4k h PHE 219 CO -0.01 0.15 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.82 2a4k h LEU 220 N 0.33 0.00 0.00 0.59 3.38 -0.77 -3.16 115.31 115.68 2a4k h LEU 220 Ca 0.15 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.90 2a4k h LEU 220 Cb 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2a4k h LEU 220 CO -0.12 0.32 -1.38 -0.07 0.09 0.00 0.00 178.44 177.27 2a4k h LEU 221 N 0.00 0.00-10.63 1.67 3.38 -0.72 -3.47 115.31 105.55 2a4k h LEU 221 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2a4k h LEU 221 Cb 0.68 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.56 2a4k h LEU 221 CO 0.04 0.84 0.37 -0.94 0.09 0.00 0.00 178.44 178.84 2a4k s SER 222 N -6.15 3.69 0.00 -0.43 1.04 -0.34 -4.81 113.70 106.69 2a4k s SER 222 Ca -0.02 0.68 0.24 0.00 0.48 0.00 0.00 55.95 57.32 2a4k s SER 222 Cb 0.08 -1.06 1.19 0.00 0.10 0.00 0.00 66.02 66.34 2a4k s SER 222 CO 0.81 -2.41 1.78 -0.62 0.98 0.00 0.00 173.24 173.78 2a4k n GLU 223 N -3.63 0.34 0.00 4.02 -0.58 -1.26 -3.13 120.64 116.40 2a4k n GLU 223 Ca 0.10 0.06 0.11 0.00 -0.42 0.00 0.00 57.16 57.01 2a4k n GLU 223 Cb 0.60 -1.50 0.47 0.00 -0.57 0.00 0.00 31.44 30.44 2a4k n GLU 223 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2a4k n GLU 224 N -1.28 0.00 -1.34 3.49 0.28 -1.26 -2.85 120.64 117.69 2a4k n GLU 224 Ca 0.11 0.12 -0.05 0.00 -0.16 0.00 0.00 57.16 57.19 2a4k n GLU 224 Cb 0.19 -1.50 0.11 0.00 1.43 0.00 0.00 31.44 31.67 2a4k n GLU 224 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2a4k n SER 225 N -1.50 2.68 0.30 -1.84 3.41 -1.18 -4.86 113.62 110.62 2a4k n SER 225 Ca 0.05 -3.50 0.20 0.00 -0.26 0.00 0.00 58.87 55.36 2a4k n SER 225 Cb 0.26 -0.44 1.01 0.00 -0.26 0.00 0.00 64.21 64.77 2a4k n SER 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a4k h ALA 226 N 1.51 1.00 -0.42 7.33 0.00 -1.72 -2.51 119.26 124.45 2a4k h ALA 226 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2a4k h ALA 226 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2a4k h ALA 226 CO 0.27 0.00 0.00 0.98 0.00 0.00 0.00 179.25 180.50 2a4k n TYR 227 N -2.95 1.22 -4.00 0.00 9.36 -1.26 -4.94 117.16 114.59 2a4k n TYR 227 Ca -0.02 -0.73 -0.34 0.00 3.32 0.00 0.00 57.90 60.13 2a4k n TYR 227 Cb 0.12 -0.30 -0.15 0.00 -0.63 0.00 0.00 39.34 38.39 2a4k n TYR 227 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2a4k s ILE 228 N -2.32 2.76 0.03 2.97 1.01 -0.95 -5.10 121.20 119.61 2a4k s ILE 228 Ca 0.44 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 60.14 2a4k s ILE 228 Cb 0.32 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.55 2a4k s ILE 228 CO 0.15 0.41 0.33 0.28 0.00 0.00 0.00 174.94 176.11 2a4k s THR 229 N 1.37 0.07 -0.25 2.92 -1.32 -1.26 -4.67 115.64 112.50 2a4k s THR 229 Ca 0.04 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 2a4k s THR 229 Cb -0.14 -0.90 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 2a4k s THR 229 CO -0.07 -0.33 0.00 0.61 -2.21 0.00 0.00 174.62 172.62 2a4k n GLY 230 N 0.67 0.55 3.87 6.08 0.00 0.91 -4.97 105.19 112.30 2a4k n GLY 230 Ca -0.19 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 2a4k n GLY 230 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a4k s GLN 231 N -1.35 3.63 -0.34 1.61 -1.52 -1.26 -4.80 119.66 115.62 2a4k s GLN 231 Ca 0.00 0.06 -0.11 0.00 -1.95 0.00 0.00 55.36 53.36 2a4k s GLN 231 Cb 0.00 -3.18 0.00 0.00 -0.22 0.00 0.00 33.01 29.62 2a4k s GLN 231 CO 0.00 0.73 0.20 0.00 -0.25 0.00 0.00 175.29 175.96 2a4k s ALA 232 N -1.10 3.33 -0.36 6.09 0.00 -1.26 -0.70 121.76 127.76 2a4k s ALA 232 Ca 0.20 -1.51 -0.09 0.00 0.00 0.00 0.00 51.96 50.56 2a4k s ALA 232 Cb -0.14 -2.53 0.03 0.00 0.00 0.00 0.00 23.12 20.48 2a4k s ALA 232 CO 0.09 -1.10 0.17 -1.17 0.00 0.00 0.00 175.76 173.75 2a4k s LEU 233 N 1.62 4.59 -0.23 0.00 2.96 0.39 -4.99 118.68 123.03 2a4k s LEU 233 Ca 0.04 -1.08 -0.26 0.00 -0.22 0.00 0.00 54.13 52.61 2a4k s LEU 233 Cb -0.18 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.55 2a4k s LEU 233 CO 0.07 -0.37 0.91 -0.31 -1.32 0.00 0.00 176.35 175.33 2a4k s TYR 234 N 1.49 3.34 -0.77 5.38 2.02 -1.26 -0.53 117.35 127.01 2a4k s TYR 234 Ca 0.01 1.28 0.03 0.00 -0.37 0.00 0.00 57.07 58.01 2a4k s TYR 234 Cb -0.19 -3.13 0.23 0.00 -0.40 0.00 0.00 41.96 38.47 2a4k s TYR 234 CO 0.05 -0.41 0.80 0.28 -1.57 0.00 0.00 175.55 174.70 2a4k n VAL 235 N 5.22 2.74 -0.98 0.71 0.31 -0.63 -4.80 118.33 120.89 2a4k n VAL 235 Ca 0.08 -5.22 0.00 0.00 -0.01 0.00 0.00 64.34 59.19 2a4k n VAL 235 Cb 0.47 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 2a4k n VAL 235 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2a4k n ASP 236 N 1.48 0.03 -2.03 4.52 5.75 -1.26 -0.36 116.55 124.67 2a4k n ASP 236 Ca 0.25 -1.02 -0.21 0.00 -0.01 0.00 0.00 54.79 53.81 2a4k n ASP 236 Cb 0.38 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.42 2a4k n ASP 236 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a4k n GLY 237 N -0.01 0.63 1.03 6.12 0.00 -1.26 -2.23 105.19 109.48 2a4k n GLY 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2a4k n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a4k n GLY 238 N -0.72 0.73 0.35 -0.02 0.00 -1.26 -2.55 105.19 101.71 2a4k n GLY 238 Ca -0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 2a4k n GLY 238 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2a4k h ARG 239 N 1.90 1.02 0.00 1.61 2.43 -1.68 -2.45 114.38 117.21 2a4k h ARG 239 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2a4k h ARG 239 Cb 0.00 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 2a4k h ARG 239 CO 0.00 0.70 -0.09 0.43 -1.51 0.00 0.00 179.97 179.50 2a4k n SER 240 N -4.40 0.13 0.08 -3.80 7.64 -1.26 -4.04 113.62 107.98 2a4k n SER 240 Ca 0.08 0.37 -0.12 0.00 1.01 0.00 0.00 58.87 60.21 2a4k n SER 240 Cb 0.05 -0.38 -0.06 0.00 -1.01 0.00 0.00 64.21 62.82 2a4k n SER 240 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2a4k h ILE 241 N 0.00 0.76 0.00 0.44 2.04 -1.84 -3.51 117.51 115.39 2a4k h ILE 241 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2a4k h ILE 241 Cb 0.51 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2a4k h ILE 241 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.70