#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2k s VAL 9 N 0.00 4.87 -0.04 1.69 1.01 -1.26 -5.05 120.40 121.62 1a2k s VAL 9 Ca 0.00 -1.10 0.06 0.00 0.00 0.00 0.00 61.98 60.94 1a2k s VAL 9 Cb 0.00 -4.49 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 1a2k s VAL 9 CO 0.00 -1.11 -0.23 0.00 0.00 0.00 0.00 175.10 173.76 1a2k s GLN 10 N 2.52 2.15 -0.19 2.72 -2.07 -1.26 -0.95 119.66 122.58 1a2k s GLN 10 Ca 0.11 -0.81 -0.02 0.00 -1.82 0.00 0.00 55.36 52.82 1a2k s GLN 10 Cb -0.24 -1.91 -0.00 0.00 -1.09 0.00 0.00 33.01 29.77 1a2k s GLN 10 CO 0.05 0.39 -0.09 -0.06 -1.32 0.00 0.00 175.29 174.26 1a2k s PHE 11 N -0.25 2.89 0.01 9.60 0.08 0.60 -4.97 117.98 125.94 1a2k s PHE 11 Ca 0.01 -0.99 -0.30 0.00 0.12 0.00 0.00 56.93 55.77 1a2k s PHE 11 Cb -0.12 -2.00 -0.07 0.00 -0.57 0.00 0.00 43.02 40.26 1a2k s PHE 11 CO 0.02 -0.51 1.65 0.21 -0.10 0.00 0.00 175.22 176.49 1a2k s LYS 12 N 1.15 4.20 -0.11 0.44 2.20 -1.26 -0.43 119.74 125.93 1a2k s LYS 12 Ca 0.01 2.26 0.02 0.00 -0.36 0.00 0.00 55.97 57.91 1a2k s LYS 12 Cb -0.14 -3.78 0.01 0.00 -1.51 0.00 0.00 37.83 32.41 1a2k s LYS 12 CO -0.03 -0.78 -0.18 -1.17 -0.36 0.00 0.00 175.35 172.84 1a2k s LEU 13 N 3.27 1.86 -0.23 5.43 0.20 0.12 -1.46 118.68 127.87 1a2k s LEU 13 Ca 0.74 -0.48 -0.12 0.00 0.69 0.00 0.00 54.13 54.96 1a2k s LEU 13 Cb -0.37 -1.20 -0.05 0.00 -0.43 0.00 0.00 46.19 44.15 1a2k s LEU 13 CO 0.31 0.05 0.23 0.68 -0.29 0.00 0.00 176.35 177.33 1a2k s VAL 14 N 0.83 5.31 -0.50 1.68 -7.23 -1.03 -0.86 120.40 118.61 1a2k s VAL 14 Ca -0.09 0.32 -0.15 0.00 -1.81 0.00 0.00 61.98 60.26 1a2k s VAL 14 Cb -0.16 -3.56 0.10 0.00 0.56 0.00 0.00 36.38 33.32 1a2k s VAL 14 CO 0.00 0.31 0.43 -0.22 -0.31 0.00 0.00 175.10 175.31 1a2k s LEU 15 N 1.17 5.84 0.31 1.32 0.20 -1.01 -1.18 118.68 125.33 1a2k s LEU 15 Ca 0.11 -1.59 0.09 0.00 0.69 0.00 0.00 54.13 53.43 1a2k s LEU 15 Cb -0.14 -2.17 -0.06 0.00 -0.43 0.00 0.00 46.19 43.39 1a2k s LEU 15 CO 0.06 -0.74 -0.10 0.68 -0.29 0.00 0.00 176.35 175.96 1a2k s VAL 16 N 1.59 2.07 0.00 1.68 -7.23 -0.63 -4.59 120.40 113.30 1a2k s VAL 16 Ca 0.04 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 1a2k s VAL 16 Cb -0.27 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1a2k s VAL 16 CO 0.04 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1a2k n GLY 17 N -0.68 3.92 3.56 2.32 0.00 -1.26 -2.23 105.19 110.81 1a2k n GLY 17 Ca -0.05 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 1a2k n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a2k n ASP 18 N 0.00 0.02 -4.77 1.61 9.92 -1.25 -4.92 116.55 117.16 1a2k n ASP 18 Ca 0.00 0.77 -0.41 0.00 -0.53 0.00 0.00 54.79 54.62 1a2k n ASP 18 Cb 0.00 -1.30 -0.01 0.00 -0.64 0.00 0.00 41.12 39.17 1a2k n ASP 18 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1a2k s GLY 19 N -1.24 2.58 -0.26 0.44 0.00 -1.26 -2.52 107.32 105.06 1a2k s GLY 19 Ca 0.73 1.55 0.00 0.00 0.00 0.00 0.00 44.72 47.00 1a2k s GLY 19 CO 0.49 2.36 0.00 0.61 0.00 0.00 0.00 173.10 176.57 1a2k n GLY 20 N 1.26 0.57 0.16 0.20 0.00 -1.26 -4.95 105.19 101.17 1a2k n GLY 20 Ca 0.04 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.36 1a2k n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1a2k h THR 21 N 0.00 0.23 0.00 2.61 1.35 -1.85 -3.47 112.91 111.78 1a2k h THR 21 Ca -0.05 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1a2k h THR 21 Cb 0.18 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1a2k h THR 21 CO 0.07 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 1a2k n GLY 22 N 1.18 1.95 0.16 5.82 0.00 -1.26 -4.54 105.19 108.50 1a2k n GLY 22 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1a2k n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a2k h LYS 23 N 0.00 0.46 -0.37 1.61 1.57 -1.91 0.27 116.57 118.20 1a2k h LYS 23 Ca 0.00 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.42 1a2k h LYS 23 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1a2k h LYS 23 CO 0.00 0.73 -0.39 1.15 -0.57 0.00 0.00 179.45 180.37 1a2k h THR 24 N 0.16 1.27 -0.18 -0.16 2.02 -1.96 -1.67 112.91 112.39 1a2k h THR 24 Ca 0.05 -1.57 0.05 0.00 0.77 0.00 0.00 66.41 65.71 1a2k h THR 24 Cb 0.59 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.36 1a2k h THR 24 CO 0.03 0.52 -0.14 0.74 0.37 0.00 0.00 175.52 177.05 1a2k h THR 25 N 0.74 0.61 -0.06 3.16 2.02 -1.97 -1.97 112.91 115.43 1a2k h THR 25 Ca 0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1a2k h THR 25 Cb 0.98 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1a2k h THR 25 CO 0.09 0.00 -0.17 0.15 0.37 0.00 0.00 175.52 175.96 1a2k h PHE 26 N -0.15 -0.52 -0.97 3.16 3.57 -0.22 -3.15 116.94 118.66 1a2k h PHE 26 Ca 0.11 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1a2k h PHE 26 Cb 0.31 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 1a2k h PHE 26 CO -0.28 -0.17 0.64 -0.24 -2.23 0.00 0.00 178.31 176.03 1a2k h VAL 27 N -0.17 1.20 -0.48 1.41 3.04 -1.24 -3.11 116.25 116.90 1a2k h VAL 27 Ca 0.01 -0.43 0.14 0.00 -1.01 0.00 0.00 66.70 65.41 1a2k h VAL 27 Cb 0.21 -0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 29.30 1a2k h VAL 27 CO -0.15 0.23 0.36 0.11 -1.01 0.00 0.00 177.57 177.11 1a2k h LYS 28 N 1.26 0.00 -0.64 4.17 1.57 -1.32 -3.06 116.57 118.55 1a2k h LYS 28 Ca 0.37 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.28 1a2k h LYS 28 Cb -0.06 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.12 1a2k h LYS 28 CO -0.10 0.00 -0.21 0.00 -0.57 0.00 0.00 179.45 178.56 1a2k h ARG 29 N 0.00 -0.05 -5.98 3.15 2.47 -1.54 -3.37 114.38 109.06 1a2k h ARG 29 Ca 0.23 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.40 1a2k h ARG 29 Cb 0.95 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.27 1a2k h ARG 29 CO -0.00 -0.03 1.45 -1.58 0.56 0.00 0.00 179.97 180.36 1a2k s HIS 30 N -6.17 1.39 0.18 3.04 2.46 -1.16 -1.16 115.29 113.87 1a2k s HIS 30 Ca -0.14 0.84 -0.10 0.00 0.47 0.00 0.00 55.06 56.12 1a2k s HIS 30 Cb 0.19 -3.92 0.10 0.00 -0.13 0.00 0.00 32.58 28.81 1a2k s HIS 30 CO 0.73 -3.17 1.73 -0.07 -2.47 0.00 0.00 174.74 171.48 1a2k h LEU 31 N 15.91 0.94 -0.64 8.88 3.38 -1.64 -1.53 115.31 140.61 1a2k h LEU 31 Ca -0.33 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.32 1a2k h LEU 31 Cb 1.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1a2k h LEU 31 CO 1.06 0.88 -0.34 0.74 0.09 0.00 0.00 178.44 180.87 1a2k h THR 32 N 0.94 1.28 -0.16 0.22 2.02 -1.89 -1.47 112.91 113.86 1a2k h THR 32 Ca 0.22 -1.49 -0.16 0.00 0.77 0.00 0.00 66.41 65.75 1a2k h THR 32 Cb 0.26 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1a2k h THR 32 CO -0.01 0.48 -0.59 1.23 0.37 0.00 0.00 175.52 177.00 1a2k h GLY 33 N 0.98 0.55 0.81 2.16 0.00 -1.58 -2.14 103.07 103.86 1a2k h GLY 33 Ca 0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 1a2k h GLY 33 CO 0.07 0.60 -0.07 -2.09 0.00 0.00 0.00 176.54 175.06 1a2k h GLU 34 N 0.38 -0.18 -0.82 4.80 4.57 -1.08 -2.63 114.58 119.63 1a2k h GLU 34 Ca -0.00 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1a2k h GLU 34 Cb 1.13 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 1a2k h GLU 34 CO 0.11 0.04 0.54 0.35 -1.18 0.00 0.00 179.01 178.86 1a2k h PHE 35 N -0.37 0.99 -0.54 0.92 3.57 -1.29 -2.38 116.94 117.84 1a2k h PHE 35 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1a2k h PHE 35 Cb 0.30 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1a2k h PHE 35 CO -0.01 0.59 0.00 0.39 -2.23 0.00 0.00 178.31 177.05 1a2k n GLU 36 N -4.44 3.52 -2.19 1.11 1.02 -0.81 -5.02 120.64 113.84 1a2k n GLU 36 Ca 0.10 -2.46 -0.35 0.00 -0.02 0.00 0.00 57.16 54.43 1a2k n GLU 36 Cb 0.09 -1.87 0.01 0.00 -0.02 0.00 0.00 31.44 29.65 1a2k n GLU 36 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1a2k s LYS 37 N -1.94 3.24 -0.14 3.49 -2.85 -0.90 -4.60 119.74 116.05 1a2k s LYS 37 Ca 0.44 1.67 -0.01 0.00 -1.00 0.00 0.00 55.97 57.08 1a2k s LYS 37 Cb 0.29 -1.98 0.03 0.00 -2.06 0.00 0.00 37.83 34.11 1a2k s LYS 37 CO 0.19 -0.95 -0.06 0.21 0.10 0.00 0.00 175.35 174.84 1a2k s LYS 38 N -3.30 1.43 -0.19 1.78 2.20 0.06 -4.96 119.74 116.77 1a2k s LYS 38 Ca 0.74 -0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.71 1a2k s LYS 38 Cb -0.26 -1.75 0.00 0.00 -1.51 0.00 0.00 37.83 34.31 1a2k s LYS 38 CO 0.29 -0.35 1.07 -0.47 -0.36 0.00 0.00 175.35 175.53 1a2k s TYR 39 N 1.69 3.30 -0.40 4.03 5.04 -1.26 -1.12 117.35 128.64 1a2k s TYR 39 Ca 0.03 1.42 -0.03 0.00 -2.44 0.00 0.00 57.07 56.05 1a2k s TYR 39 Cb -0.14 -3.29 0.10 0.00 0.35 0.00 0.00 41.96 38.98 1a2k s TYR 39 CO -0.08 -0.63 0.18 0.08 -1.34 0.00 0.00 175.55 173.76 1a2k s VAL 40 N 2.96 3.32 0.17 3.14 1.01 0.17 -4.97 120.40 126.19 1a2k s VAL 40 Ca 0.47 -1.93 -0.15 0.00 0.00 0.00 0.00 61.98 60.37 1a2k s VAL 40 Cb -0.17 -3.21 0.07 0.00 0.00 0.00 0.00 36.38 33.07 1a2k s VAL 40 CO 0.10 -0.61 1.72 0.00 0.00 0.00 0.00 175.10 176.32 1a2k h ALA 41 N 8.07 0.46 -0.49 5.51 0.00 -1.96 -1.88 119.26 128.97 1a2k h ALA 41 Ca -0.15 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1a2k h ALA 41 Cb 1.05 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1a2k h ALA 41 CO 0.68 -0.32 0.02 1.79 0.00 0.00 0.00 179.25 181.42 1a2k h THR 42 N 0.21 1.24 0.00 0.00 1.35 -1.96 -1.74 112.91 112.00 1a2k h THR 42 Ca 0.21 -0.98 -0.02 0.00 -0.55 0.00 0.00 66.41 65.08 1a2k h THR 42 Cb 0.27 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1a2k h THR 42 CO -0.28 0.35 -0.08 -0.07 -0.25 0.00 0.00 175.52 175.19 1a2k h LEU 43 N 0.76 0.00 -1.42 3.87 3.38 -1.95 -3.48 115.31 116.47 1a2k h LEU 43 Ca 0.15 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 1a2k h LEU 43 Cb 0.43 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.27 1a2k h LEU 43 CO 0.02 0.08 -0.41 0.61 0.09 0.00 0.00 178.44 178.82 1a2k n GLY 44 N 0.84 0.04 3.06 0.83 0.00 -0.66 -4.89 105.19 104.42 1a2k n GLY 44 Ca 0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1a2k n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2k s VAL 45 N -3.19 0.06 -0.32 1.61 0.11 -1.11 -1.84 120.40 115.73 1a2k s VAL 45 Ca 0.15 -0.50 -0.05 0.00 -2.93 0.00 0.00 61.98 58.65 1a2k s VAL 45 Cb -0.06 -0.34 0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1a2k s VAL 45 CO 0.41 -0.27 0.06 -1.61 -3.33 0.00 0.00 175.10 170.35 1a2k s GLU 46 N -0.93 2.61 -0.29 1.54 2.02 -0.31 0.41 118.70 123.75 1a2k s GLU 46 Ca -0.10 -1.16 -0.22 0.00 0.02 0.00 0.00 54.97 53.50 1a2k s GLU 46 Cb -0.06 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.84 1a2k s GLU 46 CO 0.01 -0.61 0.73 0.08 0.02 0.00 0.00 175.26 175.48 1a2k s VAL 47 N 1.36 4.86 -0.43 2.63 1.01 -0.27 -1.06 120.40 128.50 1a2k s VAL 47 Ca -0.02 1.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.97 1a2k s VAL 47 Cb -0.19 -4.07 0.07 0.00 0.00 0.00 0.00 36.38 32.18 1a2k s VAL 47 CO 0.01 -0.16 0.30 -1.00 0.00 0.00 0.00 175.10 174.24 1a2k s HIS 48 N 2.79 3.29 -0.57 5.22 3.76 0.33 -0.76 115.29 129.34 1a2k s HIS 48 Ca 0.30 -1.20 -0.27 0.00 -0.15 0.00 0.00 55.06 53.73 1a2k s HIS 48 Cb -0.15 -2.93 -0.01 0.00 1.11 0.00 0.00 32.58 30.61 1a2k s HIS 48 CO 0.11 -0.79 1.68 -1.25 -0.85 0.00 0.00 174.74 173.64 1a2k s PRO 49 N 1.53 2.95 -0.50 8.40 0.04 -1.26 -0.65 135.00 145.51 1a2k s PRO 49 Ca 0.03 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 61.51 1a2k s PRO 49 Cb -0.23 -4.27 0.10 0.00 0.04 0.00 0.00 34.50 30.13 1a2k s PRO 49 CO 0.05 -2.36 0.43 -0.51 0.04 0.00 0.00 177.00 174.65 1a2k s LEU 50 N 7.69 5.84 0.17 -3.56 1.43 -0.52 -3.77 118.68 125.95 1a2k s LEU 50 Ca 0.62 -1.52 -0.27 0.00 -1.03 0.00 0.00 54.13 51.93 1a2k s LEU 50 Cb -0.13 -2.19 -0.08 0.00 0.03 0.00 0.00 46.19 43.82 1a2k s LEU 50 CO 0.23 -0.73 0.85 -0.69 0.23 0.00 0.00 176.35 176.24 1a2k s VAL 51 N 1.62 4.31 -0.09 -1.59 1.01 -1.26 0.06 120.40 124.46 1a2k s VAL 51 Ca 0.04 1.87 -0.00 0.00 0.00 0.00 0.00 61.98 63.88 1a2k s VAL 51 Cb -0.26 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 31.92 1a2k s VAL 51 CO 0.05 0.48 -0.05 -0.36 0.00 0.00 0.00 175.10 175.22 1a2k s PHE 52 N -0.94 1.15 -0.43 5.22 0.08 0.41 -4.85 117.98 118.61 1a2k s PHE 52 Ca 0.39 -0.49 -0.25 0.00 0.12 0.00 0.00 56.93 56.70 1a2k s PHE 52 Cb -0.24 -1.03 0.02 0.00 -0.57 0.00 0.00 43.02 41.21 1a2k s PHE 52 CO 0.28 -0.40 0.90 -1.01 -0.10 0.00 0.00 175.22 174.89 1a2k s HIS 53 N 1.61 2.97 0.54 0.36 3.76 -1.26 0.40 115.29 123.67 1a2k s HIS 53 Ca 0.01 0.45 0.07 0.00 -0.15 0.00 0.00 55.06 55.44 1a2k s HIS 53 Cb -0.13 -3.83 0.05 0.00 1.11 0.00 0.00 32.58 29.77 1a2k s HIS 53 CO -0.05 -1.01 0.52 0.95 -0.85 0.00 0.00 174.74 174.30 1a2k s THR 54 N 3.60 1.92 -1.06 1.30 -4.23 0.13 -1.03 115.64 116.28 1a2k s THR 54 Ca 0.36 -1.32 0.23 0.00 -1.18 0.00 0.00 61.69 59.78 1a2k s THR 54 Cb -0.11 -2.24 0.22 0.00 1.34 0.00 0.00 72.50 71.71 1a2k s THR 54 CO 0.24 0.00 1.75 -0.46 -0.54 0.00 0.00 174.62 175.60 1a2k n ASN 55 N -1.89 0.00 -1.37 3.99 2.04 -0.06 0.24 115.26 118.21 1a2k n ASN 55 Ca 0.04 0.43 0.08 0.00 -0.44 0.00 0.00 54.58 54.69 1a2k n ASN 55 Cb 0.63 -0.47 0.32 0.00 -2.53 0.00 0.00 39.78 37.73 1a2k n ASN 55 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1a2k n ARG 56 N -1.47 3.67 0.00 -3.83 5.12 -1.26 -5.00 116.66 113.89 1a2k n ARG 56 Ca 0.06 -2.83 0.00 0.00 -1.93 0.00 0.00 57.85 53.15 1a2k n ARG 56 Cb 0.26 -1.88 0.00 0.00 -1.16 0.00 0.00 32.46 29.68 1a2k n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1a2k n GLY 57 N 0.59 0.66 3.75 -0.13 0.00 0.14 -4.98 105.19 105.21 1a2k n GLY 57 Ca 0.23 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 1a2k n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a2k s PRO 58 N -1.22 4.44 -0.01 1.61 0.04 -1.26 -0.69 135.00 137.90 1a2k s PRO 58 Ca 0.00 2.01 0.06 0.00 0.04 0.00 0.00 61.00 63.12 1a2k s PRO 58 Cb 0.00 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1a2k s PRO 58 CO 0.00 -0.14 -0.20 -1.50 0.04 0.00 0.00 177.00 175.19 1a2k s ILE 59 N -0.32 1.59 -0.18 0.56 1.10 0.16 -4.55 121.20 119.56 1a2k s ILE 59 Ca 0.53 -0.89 0.00 0.00 -0.51 0.00 0.00 60.65 59.78 1a2k s ILE 59 Cb -0.36 -1.33 0.01 0.00 0.15 0.00 0.00 42.46 40.94 1a2k s ILE 59 CO 0.41 0.43 -0.17 -0.75 -2.11 0.00 0.00 174.94 172.75 1a2k s LYS 60 N -0.53 3.09 -0.45 3.50 2.20 -0.12 -0.45 119.74 126.98 1a2k s LYS 60 Ca 0.08 -0.78 -0.18 0.00 -0.36 0.00 0.00 55.97 54.72 1a2k s LYS 60 Cb -0.08 -2.66 0.04 0.00 -1.51 0.00 0.00 37.83 33.62 1a2k s LYS 60 CO -0.01 -0.18 0.50 -0.06 -0.36 0.00 0.00 175.35 175.24 1a2k s PHE 61 N 1.28 3.14 -0.68 4.03 0.08 0.11 -0.29 117.98 125.64 1a2k s PHE 61 Ca 0.04 -0.44 -0.27 0.00 0.12 0.00 0.00 56.93 56.38 1a2k s PHE 61 Cb -0.14 -3.12 0.01 0.00 -0.57 0.00 0.00 43.02 39.21 1a2k s PHE 61 CO -0.10 -0.81 1.44 -0.80 -0.10 0.00 0.00 175.22 174.86 1a2k s ASN 62 N 2.12 5.94 -0.25 1.36 0.02 0.43 -1.44 114.94 123.12 1a2k s ASN 62 Ca 0.13 -0.12 -0.21 0.00 -1.02 0.00 0.00 52.86 51.64 1a2k s ASN 62 Cb -0.18 -2.55 -0.02 0.00 0.02 0.00 0.00 41.25 38.52 1a2k s ASN 62 CO 0.13 -1.94 0.66 -0.69 0.02 0.00 0.00 177.10 175.28 1a2k s VAL 63 N 6.59 4.96 -0.42 1.60 1.01 0.18 -0.70 120.40 133.61 1a2k s VAL 63 Ca 0.46 1.20 -0.26 0.00 0.00 0.00 0.00 61.98 63.38 1a2k s VAL 63 Cb -0.10 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.34 1a2k s VAL 63 CO 0.18 0.00 0.93 0.26 0.00 0.00 0.00 175.10 176.48 1a2k s TRP 64 N 2.57 2.98 0.00 5.22 0.52 -0.04 -0.51 118.94 129.68 1a2k s TRP 64 Ca 0.28 0.56 0.07 0.00 0.02 0.00 0.00 56.10 57.03 1a2k s TRP 64 Cb -0.15 -3.86 -0.03 0.00 -1.15 0.00 0.00 33.47 28.28 1a2k s TRP 64 CO 0.08 -0.99 -0.22 0.34 0.02 0.00 0.00 176.95 176.18 1a2k s ASP 65 N 2.12 3.45 0.89 2.95 2.15 -0.22 -2.41 116.67 125.60 1a2k s ASP 65 Ca 0.38 -0.43 -0.12 0.00 0.43 0.00 0.00 52.55 52.81 1a2k s ASP 65 Cb -0.11 -0.49 0.13 0.00 -0.30 0.00 0.00 42.92 42.15 1a2k s ASP 65 CO 0.23 0.30 1.11 0.42 -0.17 0.00 0.00 175.17 177.06 1a2k s THR 66 N -0.75 2.47 -0.39 1.71 -4.23 -1.26 -1.17 115.64 112.02 1a2k s THR 66 Ca 0.12 0.15 0.10 0.00 -1.18 0.00 0.00 61.69 60.88 1a2k s THR 66 Cb -0.10 -2.79 0.65 0.00 1.34 0.00 0.00 72.50 71.60 1a2k s THR 66 CO 0.01 -0.20 1.53 0.00 -0.54 0.00 0.00 174.62 175.43 1a2k n ALA 67 N -3.78 3.78 -0.36 3.99 0.00 -0.77 -4.73 120.51 118.65 1a2k n ALA 67 Ca 0.06 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1a2k n ALA 67 Cb 0.57 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1a2k n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a2k n GLY 68 N 0.36 0.80 0.00 0.00 0.00 -1.26 -4.98 105.19 100.11 1a2k n GLY 68 Ca 0.25 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1a2k n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2k n GLN 69 N -2.36 0.93 0.00 1.61 0.00 -1.26 -2.73 117.38 113.57 1a2k n GLN 69 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.00 57.14 1a2k n GLN 69 Cb 0.00 -1.36 0.54 0.00 0.00 0.00 0.00 30.24 29.43 1a2k n GLN 69 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1a2k n GLU 70 N -0.86 0.10 0.13 2.61 0.00 -1.26 -2.82 120.64 118.55 1a2k n GLU 70 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 57.16 57.28 1a2k n GLU 70 Cb 0.07 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.15 1a2k n GLU 70 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1a2k h LYS 71 N 0.06 0.00 0.00 3.44 1.57 -1.91 -3.30 116.57 116.43 1a2k h LYS 71 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1a2k h LYS 71 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1a2k h LYS 71 CO 0.00 0.66 -1.52 1.19 -0.57 0.00 0.00 179.45 179.22 1a2k n PHE 72 N -3.70 0.80 -0.58 -1.35 3.01 -1.13 -5.07 117.46 109.45 1a2k n PHE 72 Ca -0.01 0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.71 1a2k n PHE 72 Cb 0.66 -1.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.12 1a2k n PHE 72 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a2k n GLY 73 N 1.39 -0.21 3.70 1.37 0.00 -1.17 -5.16 105.19 105.12 1a2k n GLY 73 Ca -0.10 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 1a2k n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a2k s GLY 74 N 0.00 1.56 0.18 -0.02 0.00 -1.26 -4.03 107.32 103.76 1a2k s GLY 74 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 44.72 44.28 1a2k s GLY 74 CO 0.00 0.17 0.36 1.08 0.00 0.00 0.00 173.10 174.71 1a2k s LEU 75 N -6.37 4.25 0.86 0.66 1.43 -1.26 -4.88 118.68 113.38 1a2k s LEU 75 Ca 0.65 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 54.00 1a2k s LEU 75 Cb -0.17 -3.12 0.11 0.00 0.03 0.00 0.00 46.19 43.03 1a2k s LEU 75 CO 0.56 -0.02 1.09 -0.13 0.23 0.00 0.00 176.35 178.09 1a2k s ARG 76 N -3.25 1.55 0.12 1.70 1.81 -1.26 -4.94 118.95 114.67 1a2k s ARG 76 Ca 0.38 0.76 -0.20 0.00 -1.72 0.00 0.00 55.73 54.94 1a2k s ARG 76 Cb -0.11 -1.85 -0.07 0.00 -0.45 0.00 0.00 34.95 32.47 1a2k s ARG 76 CO 0.29 -2.02 1.74 -0.44 -0.68 0.00 0.00 175.30 174.19 1a2k h ASP 77 N -1.39 0.04 -1.10 0.23 3.32 -2.00 -2.47 116.42 113.06 1a2k h ASP 77 Ca -0.49 0.02 0.31 0.00 0.02 0.00 0.00 57.03 56.90 1a2k h ASP 77 Cb 1.28 0.02 -0.11 0.00 0.22 0.00 0.00 39.33 40.73 1a2k h ASP 77 CO 0.56 0.04 0.69 1.23 -1.72 0.00 0.00 179.24 180.05 1a2k h GLY 78 N 0.11 1.40 0.78 2.75 0.00 -1.93 0.42 103.07 106.61 1a2k h GLY 78 Ca 0.06 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1a2k h GLY 78 CO -0.07 -0.26 -0.01 -1.82 0.00 0.00 0.00 176.54 174.38 1a2k h TYR 79 N 0.32 -0.03 0.00 5.60 5.03 -1.78 -3.27 116.97 122.84 1a2k h TYR 79 Ca 0.67 0.01 -0.21 0.00 2.58 0.00 0.00 58.73 61.79 1a2k h TYR 79 Cb 1.77 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 40.05 1a2k h TYR 79 CO -0.00 -0.03 -0.99 1.88 -1.32 0.00 0.00 178.16 177.69 1a2k h TYR 80 N 0.03 0.00 -2.36 -3.82 0.05 -1.37 -3.46 116.97 106.04 1a2k h TYR 80 Ca 0.06 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.27 1a2k h TYR 80 Cb 0.08 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.87 1a2k h TYR 80 CO -0.15 0.97 0.91 1.51 -1.05 0.00 0.00 178.16 180.34 1a2k n ILE 81 N -3.33 0.09 -1.01 -2.88 3.06 0.14 -1.61 119.36 113.83 1a2k n ILE 81 Ca -0.01 -0.02 -0.00 0.00 -2.50 0.00 0.00 62.75 60.23 1a2k n ILE 81 Cb 0.93 -1.73 -0.00 0.00 0.54 0.00 0.00 39.64 39.38 1a2k n ILE 81 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1a2k n GLN 82 N 4.06 -0.25 -1.77 9.51 6.02 -1.26 -4.98 117.38 128.71 1a2k n GLN 82 Ca 0.17 0.10 -0.40 0.00 -0.01 0.00 0.00 57.00 56.87 1a2k n GLN 82 Cb 0.31 -3.32 0.02 0.00 1.02 0.00 0.00 30.24 28.27 1a2k n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a2k s ALA 83 N -1.89 3.17 -1.42 -1.58 0.00 -0.63 -4.77 121.76 114.63 1a2k s ALA 83 Ca 0.00 1.46 0.16 0.00 0.00 0.00 0.00 51.96 53.58 1a2k s ALA 83 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1a2k s ALA 83 CO 0.00 -1.26 0.84 1.04 0.00 0.00 0.00 175.76 176.38 1a2k n GLN 84 N -0.36 1.70 -3.74 0.00 6.02 -0.53 -4.96 117.38 115.50 1a2k n GLN 84 Ca 0.06 -0.76 0.01 0.00 -0.01 0.00 0.00 57.00 56.30 1a2k n GLN 84 Cb 0.42 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.41 1a2k n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a2k s ALA 86 N -2.37 -1.74 -0.23 0.00 0.00 -0.90 -2.47 121.76 114.04 1a2k s ALA 86 Ca 0.18 1.19 -0.04 0.00 0.00 0.00 0.00 51.96 53.30 1a2k s ALA 86 Cb 0.02 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1a2k s ALA 86 CO -0.02 -0.43 -0.04 0.42 0.00 0.00 0.00 175.76 175.70 1a2k s ILE 87 N -1.57 3.30 -0.26 0.00 1.01 -0.32 -1.77 121.20 121.59 1a2k s ILE 87 Ca -0.09 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 59.75 1a2k s ILE 87 Cb -0.00 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 1a2k s ILE 87 CO 0.07 0.34 0.49 -0.63 0.00 0.00 0.00 174.94 175.21 1a2k s ILE 88 N 1.45 5.09 0.04 2.92 1.01 -0.64 -1.60 121.20 129.47 1a2k s ILE 88 Ca 0.04 0.83 0.03 0.00 0.00 0.00 0.00 60.65 61.56 1a2k s ILE 88 Cb -0.15 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1a2k s ILE 88 CO -0.03 0.10 0.01 -0.32 0.00 0.00 0.00 174.94 174.70 1a2k s MET 89 N 2.22 2.69 0.21 2.79 1.75 -0.95 -0.30 119.30 127.71 1a2k s MET 89 Ca 0.20 -0.72 0.00 0.00 -1.25 0.00 0.00 55.69 53.93 1a2k s MET 89 Cb -0.16 -2.62 -0.04 0.00 2.84 0.00 0.00 34.83 34.85 1a2k s MET 89 CO 0.09 0.58 0.10 -0.59 -0.65 0.00 0.00 175.02 174.55 1a2k s PHE 90 N -1.21 1.25 -0.22 4.11 -0.71 -0.15 -3.95 117.98 117.12 1a2k s PHE 90 Ca 0.23 -1.26 -0.09 0.00 -1.04 0.00 0.00 56.93 54.77 1a2k s PHE 90 Cb -0.12 -0.68 -0.05 0.00 -1.21 0.00 0.00 43.02 40.97 1a2k s PHE 90 CO 0.15 -0.48 0.12 0.34 -1.34 0.00 0.00 175.22 174.01 1a2k s ASP 91 N -3.20 5.95 0.52 1.98 -1.08 -1.26 -0.56 116.67 119.02 1a2k s ASP 91 Ca 0.35 0.11 0.30 0.00 -0.52 0.00 0.00 52.55 52.79 1a2k s ASP 91 Cb 0.07 -2.06 1.23 0.00 -1.46 0.00 0.00 42.92 40.71 1a2k s ASP 91 CO 0.10 0.11 1.94 -0.37 0.52 0.00 0.00 175.17 177.47 1a2k h VAL 92 N 4.94 0.19 -0.00 1.11 -1.51 -1.48 -1.71 116.25 117.79 1a2k h VAL 92 Ca -0.38 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.39 1a2k h VAL 92 Cb 1.17 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 1a2k h VAL 92 CO 0.68 0.07 -0.23 0.35 -1.23 0.00 0.00 177.57 177.21 1a2k n THR 93 N -3.20 0.00 -3.99 7.19 -2.24 -1.26 -0.68 114.28 110.10 1a2k n THR 93 Ca 0.00 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 1a2k n THR 93 Cb 0.34 -0.03 -0.16 0.00 -2.10 0.00 0.00 70.33 68.39 1a2k n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a2k s SER 94 N -2.78 3.70 0.28 3.42 0.15 -0.64 -4.65 113.70 113.17 1a2k s SER 94 Ca 0.19 -1.05 -0.02 0.00 0.70 0.00 0.00 55.95 55.76 1a2k s SER 94 Cb 0.19 -1.26 0.39 0.00 -1.71 0.00 0.00 66.02 63.62 1a2k s SER 94 CO 0.57 -0.18 1.88 0.03 1.20 0.00 0.00 173.24 176.74 1a2k h ARG 95 N 7.94 0.98 0.00 5.44 3.08 -1.85 -2.79 114.38 127.18 1a2k h ARG 95 Ca -0.23 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.64 1a2k h ARG 95 Cb 1.08 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1a2k h ARG 95 CO 0.45 0.76 -0.20 -0.24 -1.07 0.00 0.00 179.97 179.68 1a2k h VAL 96 N 0.98 1.10 -0.46 2.04 3.04 -1.95 -1.04 116.25 119.96 1a2k h VAL 96 Ca 0.24 -0.68 -0.08 0.00 -1.01 0.00 0.00 66.70 65.18 1a2k h VAL 96 Cb 0.11 1.37 -0.02 0.00 -2.01 0.00 0.00 31.29 30.74 1a2k h VAL 96 CO -0.03 0.19 -0.02 0.71 -1.01 0.00 0.00 177.57 177.41 1a2k h THR 97 N 0.00 1.24 -0.09 3.17 1.35 -1.82 -2.49 112.91 114.27 1a2k h THR 97 Ca -0.00 -1.02 -0.21 0.00 -0.55 0.00 0.00 66.41 64.63 1a2k h THR 97 Cb 0.35 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1a2k h THR 97 CO 0.03 0.36 -0.80 0.22 -0.25 0.00 0.00 175.52 175.07 1a2k h TYR 98 N 0.71 0.78 0.00 4.73 3.20 -1.24 -3.27 116.97 121.88 1a2k h TYR 98 Ca 0.14 -0.36 -0.03 0.00 3.14 0.00 0.00 58.73 61.62 1a2k h TYR 98 Cb 0.47 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 1a2k h TYR 98 CO 0.02 1.16 -0.12 0.87 -1.64 0.00 0.00 178.16 178.45 1a2k h LYS 99 N 0.37 0.00 -0.01 1.82 6.56 -1.26 -0.16 116.57 123.89 1a2k h LYS 99 Ca -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1a2k h LYS 99 Cb 1.41 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.07 1a2k h LYS 99 CO 0.15 0.12 0.00 0.09 -2.06 0.00 0.00 179.45 177.75 1a2k n ASN 100 N -3.39 0.24 0.09 0.86 3.02 -0.95 -4.25 115.26 110.89 1a2k n ASN 100 Ca -0.01 -1.15 -0.12 0.00 -0.03 0.00 0.00 54.58 53.27 1a2k n ASN 100 Cb 0.30 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.42 1a2k n ASN 100 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1a2k h VAL 101 N 0.37 0.62 -0.54 2.41 2.07 -1.08 -2.61 116.25 117.49 1a2k h VAL 101 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1a2k h VAL 101 Cb 0.08 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1a2k h VAL 101 CO 0.00 0.00 0.36 -0.65 0.02 0.00 0.00 177.57 177.30 1a2k h PRO 102 N -0.31 0.54 -0.51 1.57 0.11 -1.79 0.19 132.00 131.80 1a2k h PRO 102 Ca 0.03 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 1a2k h PRO 102 Cb 0.34 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 1a2k h PRO 102 CO -0.10 0.36 0.10 -0.91 -0.21 0.00 0.00 178.00 177.24 1a2k h ASN 103 N 0.56 0.78 0.08 -2.05 -0.26 -1.76 0.39 115.58 113.33 1a2k h ASN 103 Ca 0.23 -0.25 0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1a2k h ASN 103 Cb 0.19 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1a2k h ASN 103 CO -0.06 0.83 -0.13 -0.50 -1.06 0.00 0.00 177.43 176.50 1a2k h TRP 104 N 0.71 -0.34 -0.20 1.19 4.06 -0.98 0.15 115.95 120.55 1a2k h TRP 104 Ca 0.16 0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.16 1a2k h TRP 104 Cb 0.36 0.14 -0.06 0.00 -1.00 0.00 0.00 29.16 28.61 1a2k h TRP 104 CO 0.02 -0.20 -0.17 1.25 -3.56 0.00 0.00 178.44 175.79 1a2k h HIS 105 N -0.26 -0.42 -0.41 0.49 2.76 -0.31 -0.82 115.15 116.16 1a2k h HIS 105 Ca 0.02 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.30 1a2k h HIS 105 Cb 0.28 0.22 -0.08 0.00 1.55 0.00 0.00 27.41 29.37 1a2k h HIS 105 CO -0.15 -0.24 -0.13 -0.09 -1.30 0.00 0.00 177.93 176.02 1a2k h ARG 106 N -0.18 -0.03 -0.26 5.26 2.43 0.07 -0.97 114.38 120.71 1a2k h ARG 106 Ca 0.12 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1a2k h ARG 106 Cb 0.35 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1a2k h ARG 106 CO -0.30 -0.02 -0.06 -0.44 -1.51 0.00 0.00 179.97 177.64 1a2k h ASP 107 N -0.03 -0.24 -0.45 -3.80 3.32 -0.09 -1.51 116.42 113.62 1a2k h ASP 107 Ca 0.20 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 1a2k h ASP 107 Cb 0.34 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1a2k h ASP 107 CO -0.44 -0.08 0.20 0.25 -1.72 0.00 0.00 179.24 177.44 1a2k h LEU 108 N 0.00 0.61 -1.00 1.55 5.85 -0.79 -3.25 115.31 118.29 1a2k h LEU 108 Ca 0.12 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1a2k h LEU 108 Cb 0.19 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1a2k h LEU 108 CO -0.27 0.58 -0.44 0.58 -0.34 0.00 0.00 178.44 178.56 1a2k h VAL 109 N 0.59 1.14 -0.87 1.05 2.07 -0.89 0.74 116.25 120.08 1a2k h VAL 109 Ca 0.15 -1.62 0.12 0.00 0.82 0.00 0.00 66.70 66.17 1a2k h VAL 109 Cb 0.15 1.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 1a2k h VAL 109 CO -0.02 0.43 0.56 -0.09 0.02 0.00 0.00 177.57 178.48 1a2k h ARG 110 N 0.00 0.74 0.07 1.57 2.43 -1.31 -2.76 114.38 115.11 1a2k h ARG 110 Ca -0.00 -0.04 -0.32 0.00 -0.81 0.00 0.00 59.98 58.80 1a2k h ARG 110 Cb 0.88 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1a2k h ARG 110 CO 0.06 0.49 -1.75 0.28 -1.51 0.00 0.00 179.97 177.54 1a2k n VAL 111 N -4.54 1.66 -3.91 0.20 0.31 -1.05 -4.90 118.33 106.10 1a2k n VAL 111 Ca 0.16 -0.39 -0.30 0.00 -0.01 0.00 0.00 64.34 63.80 1a2k n VAL 111 Cb 0.39 -1.85 -0.14 0.00 -0.91 0.00 0.00 33.84 31.33 1a2k n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a2k h GLU 113 N 6.94 -0.14 -0.89 0.00 4.81 -1.79 -3.33 114.58 120.17 1a2k h GLU 113 Ca -0.06 0.01 -0.55 0.00 -0.13 0.00 0.00 59.36 58.63 1a2k h GLU 113 Cb 0.94 0.03 -0.29 0.00 0.63 0.00 0.00 28.75 30.06 1a2k h GLU 113 CO 0.59 -0.10 0.51 0.27 -0.73 0.00 0.00 179.01 179.56 1a2k n ASN 114 N -2.71 5.45 -4.86 1.04 6.94 -1.26 -4.87 115.26 114.99 1a2k n ASN 114 Ca -0.02 -3.73 -0.34 0.00 -0.02 0.00 0.00 54.58 50.47 1a2k n ASN 114 Cb 0.07 -0.83 -0.05 0.00 -2.36 0.00 0.00 39.78 36.61 1a2k n ASN 114 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1a2k s ILE 115 N -4.10 4.99 0.20 1.53 -4.36 -1.26 -5.02 121.20 113.19 1a2k s ILE 115 Ca 0.58 0.55 -0.31 0.00 -0.26 0.00 0.00 60.65 61.21 1a2k s ILE 115 Cb 0.48 -3.67 -0.10 0.00 1.25 0.00 0.00 42.46 40.42 1a2k s ILE 115 CO 0.03 0.20 1.53 -2.16 0.24 0.00 0.00 174.94 174.79 1a2k s PRO 116 N -2.13 4.22 -0.03 0.37 0.04 -1.26 -4.85 135.00 131.36 1a2k s PRO 116 Ca 0.38 2.37 0.05 0.00 0.04 0.00 0.00 61.00 63.84 1a2k s PRO 116 Cb -0.14 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 1a2k s PRO 116 CO 0.19 -0.56 -0.18 0.42 0.04 0.00 0.00 177.00 176.91 1a2k s ILE 117 N 0.68 1.49 -0.02 0.56 1.01 0.10 -2.13 121.20 122.89 1a2k s ILE 117 Ca 0.66 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1a2k s ILE 117 Cb -0.44 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1a2k s ILE 117 CO 0.37 0.43 -0.06 -0.69 0.00 0.00 0.00 174.94 174.98 1a2k s VAL 118 N -0.21 3.73 -0.17 2.92 1.01 -0.73 -2.24 120.40 124.72 1a2k s VAL 118 Ca 0.02 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1a2k s VAL 118 Cb -0.10 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1a2k s VAL 118 CO 0.01 0.46 0.09 -0.22 0.00 0.00 0.00 175.10 175.44 1a2k s LEU 119 N -1.22 3.99 -0.10 3.92 2.96 0.14 -1.62 118.68 126.75 1a2k s LEU 119 Ca 0.16 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 1a2k s LEU 119 Cb -0.11 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.59 1a2k s LEU 119 CO 0.06 0.24 -0.14 0.00 -1.32 0.00 0.00 176.35 175.18 1a2k s GLY 121 N 0.92 1.66 0.75 0.00 0.00 -1.09 -0.97 107.32 108.58 1a2k s GLY 121 Ca -0.09 -1.63 -0.08 0.00 0.00 0.00 0.00 44.72 42.93 1a2k s GLY 121 CO -0.00 1.66 1.08 0.21 0.00 0.00 0.00 173.10 176.05 1a2k s ASN 122 N 2.81 4.58 -0.95 1.64 2.47 0.27 -1.61 114.94 124.15 1a2k s ASN 122 Ca 0.19 0.48 -0.04 0.00 0.42 0.00 0.00 52.86 53.91 1a2k s ASN 122 Cb -0.17 -1.03 0.00 0.00 -1.45 0.00 0.00 41.25 38.60 1a2k s ASN 122 CO 0.14 -1.77 0.52 0.29 -3.72 0.00 0.00 177.10 172.55 1a2k n LYS 123 N -3.08 -3.83 0.00 0.43 5.02 -1.20 -1.32 118.16 114.19 1a2k n LYS 123 Ca 0.09 0.57 0.14 0.00 -2.02 0.00 0.00 58.31 57.09 1a2k n LYS 123 Cb 0.60 -4.73 0.82 0.00 -0.02 0.00 0.00 35.03 31.71 1a2k n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1a2k n VAL 124 N -4.07 0.01 0.09 -0.18 0.24 -1.12 -1.78 118.33 111.52 1a2k n VAL 124 Ca -0.05 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.22 1a2k n VAL 124 Cb 0.56 -0.56 -0.07 0.00 -1.47 0.00 0.00 33.84 32.31 1a2k n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1a2k h ASP 125 N 0.00 0.00 -2.80 -1.34 3.04 -1.91 -3.45 116.42 109.96 1a2k h ASP 125 Ca 0.00 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.26 1a2k h ASP 125 Cb 0.02 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 38.35 1a2k h ASP 125 CO 0.00 0.81 0.90 -0.63 -2.04 0.00 0.00 179.24 178.28 1a2k s ILE 126 N -2.80 2.91 0.02 4.15 1.01 -0.73 -4.93 121.20 120.83 1a2k s ILE 126 Ca 0.02 0.55 -0.23 0.00 0.00 0.00 0.00 60.65 60.99 1a2k s ILE 126 Cb 0.09 -3.35 -0.13 0.00 0.01 0.00 0.00 42.46 39.08 1a2k s ILE 126 CO 0.79 0.02 1.12 0.11 0.00 0.00 0.00 174.94 176.98 1a2k h LYS 127 N 7.42 -0.79 -5.49 2.79 1.79 -1.88 -3.39 116.57 117.03 1a2k h LYS 127 Ca -0.42 0.05 -0.16 0.00 -2.18 0.00 0.00 60.65 57.94 1a2k h LYS 127 Cb 1.20 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 1a2k h LYS 127 CO 0.91 -0.52 0.49 0.34 -1.08 0.00 0.00 179.45 179.59 1a2k s ASP 128 N -3.84 4.24 -0.15 0.86 2.15 -1.26 -4.92 116.67 113.76 1a2k s ASP 128 Ca -0.12 0.13 -0.10 0.00 0.43 0.00 0.00 52.55 52.89 1a2k s ASP 128 Cb 0.01 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.04 1a2k s ASP 128 CO 0.36 -3.46 0.17 -0.60 -0.17 0.00 0.00 175.17 171.47 1a2k s ARG 129 N 8.40 3.92 -0.23 4.34 3.52 -1.26 -4.74 118.95 132.90 1a2k s ARG 129 Ca 0.89 -0.10 0.10 0.00 -0.13 0.00 0.00 55.73 56.49 1a2k s ARG 129 Cb -0.13 -3.33 -0.21 0.00 -1.56 0.00 0.00 34.95 29.72 1a2k s ARG 129 CO 0.10 0.49 -0.06 1.63 -0.81 0.00 0.00 175.30 176.65 1a2k n LYS 130 N 2.88 0.67 -3.55 5.12 4.76 -0.49 -4.81 118.16 122.73 1a2k n LYS 130 Ca -0.17 0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 54.93 1a2k n LYS 130 Cb 0.53 -1.52 -0.08 0.00 -1.84 0.00 0.00 35.03 32.12 1a2k n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1a2k s VAL 131 N -2.51 4.33 0.87 -0.18 1.01 0.15 -4.95 120.40 119.11 1a2k s VAL 131 Ca -0.22 -2.18 -0.09 0.00 0.00 0.00 0.00 61.98 59.50 1a2k s VAL 131 Cb 0.07 -3.81 0.18 0.00 0.00 0.00 0.00 36.38 32.83 1a2k s VAL 131 CO 0.72 -0.84 1.19 -0.54 0.00 0.00 0.00 175.10 175.63 1a2k s LYS 132 N 0.83 0.96 0.37 2.72 3.01 -1.26 -4.90 119.74 121.47 1a2k s LYS 132 Ca 0.10 -0.86 0.15 0.00 -1.01 0.00 0.00 55.97 54.35 1a2k s LYS 132 Cb -0.22 -2.07 0.73 0.00 -1.01 0.00 0.00 37.83 35.25 1a2k s LYS 132 CO -0.03 -2.07 1.80 0.00 0.51 0.00 0.00 175.35 175.56 1a2k h ALA 133 N -1.18 1.24 -0.59 5.17 0.00 -1.96 -3.09 119.26 118.85 1a2k h ALA 133 Ca -0.39 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.25 1a2k h ALA 133 Cb 1.24 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1a2k h ALA 133 CO 0.35 0.48 0.21 0.87 0.00 0.00 0.00 179.25 181.16 1a2k h LYS 134 N 0.00 0.37 0.00 0.00 1.57 -1.92 -2.50 116.57 114.09 1a2k h LYS 134 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1a2k h LYS 134 Cb 0.74 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1a2k h LYS 134 CO 0.05 0.24 -0.31 0.43 -0.57 0.00 0.00 179.45 179.30 1a2k n SER 135 N -5.02 0.47 -0.03 0.86 7.64 -1.17 -4.22 113.62 112.15 1a2k n SER 135 Ca 0.08 0.19 -0.22 0.00 1.01 0.00 0.00 58.87 59.94 1a2k n SER 135 Cb 0.27 -0.16 -0.13 0.00 -1.01 0.00 0.00 64.21 63.18 1a2k n SER 135 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1a2k n ILE 136 N -1.79 1.71 -3.35 0.44 5.41 -1.05 -4.76 119.36 115.98 1a2k n ILE 136 Ca 0.05 -0.48 -0.46 0.00 1.00 0.00 0.00 62.75 62.86 1a2k n ILE 136 Cb 0.38 -1.81 -0.03 0.00 -0.71 0.00 0.00 39.64 37.46 1a2k n ILE 136 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1a2k s VAL 137 N -2.51 5.41 -0.22 1.39 -7.23 -0.97 -4.76 120.40 111.52 1a2k s VAL 137 Ca -0.25 -2.29 -0.16 0.00 -1.81 0.00 0.00 61.98 57.48 1a2k s VAL 137 Cb 0.07 -4.38 -0.10 0.00 0.56 0.00 0.00 36.38 32.53 1a2k s VAL 137 CO 0.72 -0.98 -0.26 2.22 -0.31 0.00 0.00 175.10 176.48 1a2k n PHE 138 N 4.22 0.24 -3.64 2.82 1.16 -1.26 -4.91 117.46 116.09 1a2k n PHE 138 Ca 0.07 0.11 -0.04 0.00 -1.87 0.00 0.00 57.45 55.72 1a2k n PHE 138 Cb 0.45 -0.83 -0.07 0.00 -1.61 0.00 0.00 39.48 37.42 1a2k n PHE 138 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 1a2k s HIS 139 N -2.59 -0.35 0.36 2.97 3.76 -1.26 -5.19 115.29 112.98 1a2k s HIS 139 Ca -0.32 0.78 0.09 0.00 -0.15 0.00 0.00 55.06 55.46 1a2k s HIS 139 Cb 0.09 0.34 -0.06 0.00 1.11 0.00 0.00 32.58 34.06 1a2k s HIS 139 CO 0.46 -0.17 -0.00 1.03 -0.85 0.00 0.00 174.74 175.20 1a2k s ARG 140 N 0.60 2.01 0.02 1.40 3.00 -1.26 -5.14 118.95 119.57 1a2k s ARG 140 Ca -0.01 -1.86 -0.00 0.00 0.00 0.00 0.00 55.73 53.86 1a2k s ARG 140 Cb -0.04 -1.84 0.00 0.00 0.00 0.00 0.00 34.95 33.08 1a2k s ARG 140 CO -0.11 0.09 0.02 1.63 0.00 0.00 0.00 175.30 176.92 1a2k n LYS 141 N -0.94 -0.54 -0.04 3.54 4.01 -1.26 -4.98 118.16 117.95 1a2k n LYS 141 Ca -0.04 -0.03 0.06 0.00 -0.51 0.00 0.00 58.31 57.79 1a2k n LYS 141 Cb 0.63 -0.02 0.07 0.00 -0.51 0.00 0.00 35.03 35.21 1a2k n LYS 141 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1a2k n LYS 142 N -1.30 1.11 -2.12 1.97 4.01 -1.26 -4.18 118.16 116.39 1a2k n LYS 142 Ca 0.00 -1.40 0.01 0.00 -0.51 0.00 0.00 58.31 56.41 1a2k n LYS 142 Cb 0.01 -1.25 0.04 0.00 -0.51 0.00 0.00 35.03 33.32 1a2k n LYS 142 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1a2k n ASN 143 N 0.69 1.49 -3.30 4.39 3.02 -1.26 -4.98 115.26 115.31 1a2k n ASN 143 Ca 0.08 -2.18 -0.10 0.00 -0.03 0.00 0.00 54.58 52.35 1a2k n ASN 143 Cb 0.34 -0.40 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 1a2k n ASN 143 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1a2k s LEU 144 N -2.12 -0.61 0.13 3.41 1.98 -1.22 -0.72 118.68 119.54 1a2k s LEU 144 Ca 0.32 -1.29 0.03 0.00 -2.89 0.00 0.00 54.13 50.30 1a2k s LEU 144 Cb 0.36 1.09 -0.04 0.00 0.66 0.00 0.00 46.19 48.25 1a2k s LEU 144 CO -0.09 -0.22 0.18 -1.58 -1.89 0.00 0.00 176.35 172.75 1a2k s GLN 145 N 1.58 3.15 -0.02 1.98 -0.44 -0.95 -4.03 119.66 120.93 1a2k s GLN 145 Ca 0.17 -0.68 0.04 0.00 -2.50 0.00 0.00 55.36 52.39 1a2k s GLN 145 Cb -0.11 -2.83 -0.03 0.00 -1.64 0.00 0.00 33.01 28.40 1a2k s GLN 145 CO -0.04 0.53 -0.14 -0.47 0.50 0.00 0.00 175.29 175.67 1a2k s TYR 146 N -1.64 2.70 -0.01 1.67 5.04 -1.26 0.24 117.35 124.08 1a2k s TYR 146 Ca 0.32 -0.16 -0.00 0.00 -2.44 0.00 0.00 57.07 54.79 1a2k s TYR 146 Cb -0.11 -1.59 0.01 0.00 0.35 0.00 0.00 41.96 40.62 1a2k s TYR 146 CO 0.25 0.23 0.02 0.71 -1.34 0.00 0.00 175.55 175.43 1a2k s TYR 147 N -0.82 -0.01 0.06 4.97 2.02 -1.01 -4.95 117.35 117.62 1a2k s TYR 147 Ca 0.13 0.08 -0.31 0.00 -0.37 0.00 0.00 57.07 56.60 1a2k s TYR 147 Cb -0.11 -0.07 -0.07 0.00 -0.40 0.00 0.00 41.96 41.31 1a2k s TYR 147 CO 0.03 -0.04 1.51 -0.51 -1.57 0.00 0.00 175.55 174.98 1a2k s ASP 148 N 0.35 6.72 0.20 2.29 1.11 -1.26 -2.66 116.67 123.42 1a2k s ASP 148 Ca -0.03 2.35 0.08 0.00 0.18 0.00 0.00 52.55 55.13 1a2k s ASP 148 Cb -0.04 -2.57 -0.05 0.00 1.07 0.00 0.00 42.92 41.33 1a2k s ASP 148 CO -0.01 -0.78 -0.15 0.27 1.18 0.00 0.00 175.17 175.68 1a2k s ILE 149 N 2.14 1.75 -0.28 0.77 -4.36 -0.63 -4.69 121.20 115.89 1a2k s ILE 149 Ca 0.68 -2.21 -0.03 0.00 -0.26 0.00 0.00 60.65 58.83 1a2k s ILE 149 Cb -0.37 -2.04 0.10 0.00 1.25 0.00 0.00 42.46 41.40 1a2k s ILE 149 CO 0.30 -0.59 0.12 -0.55 0.24 0.00 0.00 174.94 174.46 1a2k s SER 150 N -3.30 3.55 0.31 4.36 0.15 -0.93 -2.78 113.70 115.05 1a2k s SER 150 Ca 0.22 -1.30 0.04 0.00 0.70 0.00 0.00 55.95 55.61 1a2k s SER 150 Cb -0.01 -0.46 0.51 0.00 -1.71 0.00 0.00 66.02 64.35 1a2k s SER 150 CO 0.07 -0.42 1.78 0.00 1.20 0.00 0.00 173.24 175.86 1a2k h ALA 151 N 8.34 1.21 0.00 5.45 0.00 -1.93 -1.83 119.26 130.50 1a2k h ALA 151 Ca -0.18 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1a2k h ALA 151 Cb 1.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1a2k h ALA 151 CO 0.43 0.51 0.00 1.63 0.00 0.00 0.00 179.25 181.82 1a2k n LYS 152 N -4.16 0.14 -0.00 0.00 4.76 -1.26 -3.17 118.16 114.47 1a2k n LYS 152 Ca -0.00 0.12 0.07 0.00 -2.87 0.00 0.00 58.31 55.63 1a2k n LYS 152 Cb 0.36 -1.67 -0.08 0.00 -1.84 0.00 0.00 35.03 31.80 1a2k n LYS 152 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1a2k n SER 153 N -1.91 0.78 -0.00 4.39 3.41 -1.14 -0.62 113.62 118.53 1a2k n SER 153 Ca 0.06 -0.74 -0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1a2k n SER 153 Cb 0.39 1.07 -0.00 0.00 -0.26 0.00 0.00 64.21 65.41 1a2k n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a2k n ASN 154 N -1.41 -3.01 -4.64 4.04 3.02 -0.80 -4.68 115.26 107.78 1a2k n ASN 154 Ca 0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.15 1a2k n ASN 154 Cb 0.24 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 1a2k n ASN 154 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1a2k s TYR 155 N -2.00 2.14 -1.79 3.10 5.04 -0.76 -2.28 117.35 120.80 1a2k s TYR 155 Ca 0.00 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 1a2k s TYR 155 Cb 0.00 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.41 1a2k s TYR 155 CO 0.00 -3.13 0.00 0.09 -1.34 0.00 0.00 175.55 171.17 1a2k n ASN 156 N 7.79 -5.62 -0.18 4.32 4.13 -1.26 -2.19 115.26 122.24 1a2k n ASN 156 Ca 0.18 0.09 -0.04 0.00 1.68 0.00 0.00 54.58 56.49 1a2k n ASN 156 Cb 0.44 -4.70 0.03 0.00 -1.54 0.00 0.00 39.78 34.01 1a2k n ASN 156 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1a2k h PHE 157 N 0.00 -0.62 0.00 3.10 3.57 -1.79 -0.95 116.94 120.25 1a2k h PHE 157 Ca -0.46 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.06 1a2k h PHE 157 Cb 1.34 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 40.43 1a2k h PHE 157 CO 0.53 -0.32 -0.21 1.05 -2.23 0.00 0.00 178.31 177.13 1a2k h GLU 158 N -0.11 0.00 -0.53 1.11 -0.00 -1.91 -3.39 114.58 109.75 1a2k h GLU 158 Ca 0.25 0.00 0.06 0.00 -0.00 0.00 0.00 59.36 59.66 1a2k h GLU 158 Cb 0.50 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 29.16 1a2k h GLU 158 CO -0.61 0.21 -0.51 0.87 -0.00 0.00 0.00 179.01 178.96 1a2k h LYS 159 N 0.00 -0.24 -0.75 1.06 1.79 -1.57 -1.48 116.57 115.38 1a2k h LYS 159 Ca -0.00 0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.56 1a2k h LYS 159 Cb 0.73 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.37 1a2k h LYS 159 CO 0.03 -0.16 0.42 -1.35 -1.08 0.00 0.00 179.45 177.31 1a2k h PRO 160 N -0.25 0.73 -0.48 3.15 0.11 -1.77 -2.31 132.00 131.18 1a2k h PRO 160 Ca 0.09 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.06 1a2k h PRO 160 Cb 0.49 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1a2k h PRO 160 CO -0.63 0.48 -0.07 0.74 -0.21 0.00 0.00 178.00 178.31 1a2k h PHE 161 N 0.75 0.92 -0.18 0.65 0.04 -1.62 -2.44 116.94 115.06 1a2k h PHE 161 Ca 0.35 -0.16 -0.12 0.00 2.80 0.00 0.00 57.97 60.83 1a2k h PHE 161 Cb 0.26 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1a2k h PHE 161 CO -0.07 0.88 -0.36 1.25 -0.60 0.00 0.00 178.31 179.41 1a2k h LEU 162 N 0.77 0.64 -0.14 1.54 5.85 -0.93 -1.91 115.31 121.13 1a2k h LEU 162 Ca 0.13 -0.55 0.03 0.00 0.84 0.00 0.00 57.88 58.33 1a2k h LEU 162 Cb 0.57 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1a2k h LEU 162 CO 0.03 1.07 -0.02 -0.25 -0.34 0.00 0.00 178.44 178.94 1a2k h TRP 163 N 0.23 -0.04 -0.95 1.25 7.01 -1.45 -0.83 115.95 121.18 1a2k h TRP 163 Ca 0.01 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1a2k h TRP 163 Cb 0.96 0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 28.01 1a2k h TRP 163 CO 0.09 -0.04 0.61 -0.07 -2.79 0.00 0.00 178.44 176.24 1a2k h LEU 164 N 0.02 1.11 -0.17 0.65 3.38 -1.51 -1.17 115.31 117.63 1a2k h LEU 164 Ca 0.07 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a2k h LEU 164 Cb 0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1a2k h LEU 164 CO -0.13 0.82 0.10 0.00 0.09 0.00 0.00 178.44 179.32 1a2k h ALA 165 N 1.33 0.21 0.17 1.53 0.00 -0.83 0.33 119.26 122.01 1a2k h ALA 165 Ca 0.34 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1a2k h ALA 165 Cb -0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1a2k h ALA 165 CO -0.07 -0.27 -0.44 0.00 0.00 0.00 0.00 179.25 178.47 1a2k h ARG 166 N 0.18 -0.68 -0.24 0.00 3.08 -0.89 0.03 114.38 115.85 1a2k h ARG 166 Ca 0.06 0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.21 1a2k h ARG 166 Cb 0.04 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1a2k h ARG 166 CO -0.01 -0.46 -0.08 0.87 -1.07 0.00 0.00 179.97 179.22 1a2k h LYS 167 N -0.71 -0.03 -0.42 0.04 1.79 -1.13 0.29 116.57 116.40 1a2k h LYS 167 Ca 0.01 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 1a2k h LYS 167 Cb 0.71 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 1a2k h LYS 167 CO -0.22 -0.02 -0.15 -0.07 -1.08 0.00 0.00 179.45 177.91 1a2k h LEU 168 N -0.03 0.79 0.00 2.94 3.38 -0.22 -3.24 115.31 118.93 1a2k h LEU 168 Ca 0.12 -0.26 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 1a2k h LEU 168 Cb 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1a2k h LEU 168 CO -0.27 0.95 -1.36 0.40 0.09 0.00 0.00 178.44 178.25 1a2k h ILE 169 N 0.71 0.66 -0.63 1.22 2.04 -0.76 -3.48 117.51 117.27 1a2k h ILE 169 Ca 0.11 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.74 1a2k h ILE 169 Cb 0.65 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 1a2k h ILE 169 CO 0.05 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.18 1a2k n GLY 170 N 1.41 0.96 2.71 5.37 0.00 0.98 -5.06 105.19 111.57 1a2k n GLY 170 Ca -0.09 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 1a2k n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a2k s ASP 171 N -2.70 2.87 0.45 1.61 -1.08 -0.99 -5.02 116.67 111.80 1a2k s ASP 171 Ca 0.00 -0.82 0.25 0.00 -0.52 0.00 0.00 52.55 51.45 1a2k s ASP 171 Cb 0.00 -0.54 0.59 0.00 -1.46 0.00 0.00 42.92 41.51 1a2k s ASP 171 CO 0.00 -0.32 1.70 1.55 0.52 0.00 0.00 175.17 178.62 1a2k h PRO 172 N 8.27 0.00 -0.14 4.34 0.13 -1.96 -2.88 132.00 139.76 1a2k h PRO 172 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1a2k h PRO 172 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1a2k h PRO 172 CO 0.33 0.08 0.00 0.09 -0.23 0.00 0.00 178.00 178.27 1a2k n ASN 173 N -3.14 2.23 -4.69 1.44 3.02 -1.26 -4.96 115.26 107.91 1a2k n ASN 173 Ca 0.03 -1.76 -0.44 0.00 -0.03 0.00 0.00 54.58 52.37 1a2k n ASN 173 Cb 0.49 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 1a2k n ASN 173 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1a2k n LEU 174 N 0.72 3.45 -4.25 3.41 0.00 -1.09 -5.00 117.00 114.25 1a2k n LEU 174 Ca 0.17 1.13 -0.16 0.00 0.00 0.00 0.00 56.01 57.15 1a2k n LEU 174 Cb 0.45 -1.48 -0.11 0.00 0.00 0.00 0.00 43.42 42.29 1a2k n LEU 174 CO 0.15 -0.27 -0.43 -1.61 0.00 0.00 0.00 177.39 175.23 1a2k s GLU 175 N -0.19 1.05 -0.29 1.96 0.41 -1.26 -4.90 118.70 115.47 1a2k s GLU 175 Ca 0.69 -1.35 -0.19 0.00 -0.41 0.00 0.00 54.97 53.71 1a2k s GLU 175 Cb -0.61 -0.77 -0.02 0.00 -1.78 0.00 0.00 34.13 30.96 1a2k s GLU 175 CO 0.47 0.12 0.58 -0.06 -0.49 0.00 0.00 175.26 175.88 1a2k s PHE 176 N -2.72 3.23 -0.29 1.61 0.08 -1.26 -0.88 117.98 117.75 1a2k s PHE 176 Ca 0.13 0.57 0.19 0.00 0.12 0.00 0.00 56.93 57.94 1a2k s PHE 176 Cb -0.01 -2.88 0.18 0.00 -0.57 0.00 0.00 43.02 39.74 1a2k s PHE 176 CO 0.02 -0.41 1.48 -0.39 -0.10 0.00 0.00 175.22 175.83 1a2k h VAL 177 N 5.49 0.42 -3.96 -0.44 -1.51 -1.35 -3.45 116.25 111.46 1a2k h VAL 177 Ca -0.28 -1.60 -0.32 0.00 -1.23 0.00 0.00 66.70 63.27 1a2k h VAL 177 Cb 1.13 2.18 -0.25 0.00 -2.13 0.00 0.00 31.29 32.22 1a2k h VAL 177 CO 0.77 0.24 -0.75 0.00 -1.23 0.00 0.00 177.57 176.59 1a2k s ALA 178 N -3.09 0.62 -0.09 5.19 0.00 -1.18 -5.06 121.76 118.15 1a2k s ALA 178 Ca 0.05 -0.57 -0.16 0.00 0.00 0.00 0.00 51.96 51.28 1a2k s ALA 178 Cb 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1a2k s ALA 178 CO 0.71 0.07 0.41 1.41 0.00 0.00 0.00 175.76 178.36 1a2k s MET 179 N -0.95 4.19 0.61 0.00 1.75 -1.26 -4.32 119.30 119.32 1a2k s MET 179 Ca -0.03 0.34 -0.19 0.00 -1.25 0.00 0.00 55.69 54.56 1a2k s MET 179 Cb -0.07 -3.37 -0.03 0.00 2.84 0.00 0.00 34.83 34.21 1a2k s MET 179 CO 0.00 0.34 1.27 -2.14 -0.65 0.00 0.00 175.02 173.84 1a2k s PRO 180 N 0.07 2.79 0.13 4.11 0.02 -1.26 -4.90 135.00 135.96 1a2k s PRO 180 Ca 0.23 2.00 -0.31 0.00 0.02 0.00 0.00 61.00 62.93 1a2k s PRO 180 Cb -0.15 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1a2k s PRO 180 CO 0.09 -1.40 1.47 0.00 -0.33 0.00 0.00 177.00 176.83 1a2k s ALA 181 N -1.45 3.67 0.02 -1.55 0.00 -1.26 -4.98 121.76 116.21 1a2k s ALA 181 Ca 0.79 1.22 0.07 0.00 0.00 0.00 0.00 51.96 54.04 1a2k s ALA 181 Cb -0.35 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.16 1a2k s ALA 181 CO 0.38 -0.69 -0.20 -0.51 0.00 0.00 0.00 175.76 174.74 1a2k s LEU 182 N 1.16 2.49 0.06 0.00 1.43 -1.26 -2.43 118.68 120.13 1a2k s LEU 182 Ca 0.67 -0.43 -0.36 0.00 -1.03 0.00 0.00 54.13 52.98 1a2k s LEU 182 Cb -0.40 -1.46 -0.15 0.00 0.03 0.00 0.00 46.19 44.21 1a2k s LEU 182 CO 0.31 0.28 1.48 0.00 0.23 0.00 0.00 176.35 178.64 1a2k n ALA 183 N 1.79 -0.10 -1.65 4.21 0.00 -0.31 -4.81 120.51 119.64 1a2k n ALA 183 Ca -0.16 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1a2k n ALA 183 Cb 0.52 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 17.78 1a2k n ALA 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1a2k n PRO 184 N 3.31 1.62 -1.53 0.00 -0.02 -1.26 -4.88 135.00 132.24 1a2k n PRO 184 Ca 0.19 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 1a2k n PRO 184 Cb 0.22 -2.16 0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1a2k n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1a2k n PRO 185 N 0.23 0.91 -0.06 0.52 -0.02 -1.26 -4.90 135.00 130.42 1a2k n PRO 185 Ca 0.08 0.33 -0.06 0.00 -2.02 0.00 0.00 63.50 61.83 1a2k n PRO 185 Cb 0.38 -1.79 -0.10 0.00 -0.02 0.00 0.00 33.50 31.97 1a2k n PRO 185 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1a2k n GLU 186 N 0.22 1.94 -4.44 -0.52 1.02 0.21 -5.01 120.64 114.06 1a2k n GLU 186 Ca 0.11 -0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 57.01 1a2k n GLU 186 Cb 0.40 -1.32 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 1a2k n GLU 186 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1a2k s VAL 187 N -2.32 2.28 0.03 2.62 1.01 -1.06 -5.02 120.40 117.94 1a2k s VAL 187 Ca -0.06 -2.35 -0.18 0.00 0.00 0.00 0.00 61.98 59.39 1a2k s VAL 187 Cb 0.04 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 1a2k s VAL 187 CO 0.51 -0.43 0.53 -0.69 0.00 0.00 0.00 175.10 175.01 1a2k s VAL 188 N -2.63 4.87 -0.39 2.92 1.01 -1.26 -4.28 120.40 120.64 1a2k s VAL 188 Ca 0.28 1.12 -0.18 0.00 0.00 0.00 0.00 61.98 63.20 1a2k s VAL 188 Cb -0.03 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1a2k s VAL 188 CO 0.13 0.51 0.51 -0.32 0.00 0.00 0.00 175.10 175.93 1a2k s MET 189 N -0.78 3.39 0.08 2.72 1.75 -1.26 -4.93 119.30 120.27 1a2k s MET 189 Ca 0.28 -0.40 -0.34 0.00 -1.25 0.00 0.00 55.69 53.98 1a2k s MET 189 Cb -0.18 -3.89 -0.13 0.00 2.84 0.00 0.00 34.83 33.47 1a2k s MET 189 CO 0.17 -0.77 1.69 -3.47 -0.65 0.00 0.00 175.02 171.98 1a2k n ASP 190 N 5.79 3.24 0.05 1.11 -0.08 -1.26 -4.89 116.55 120.50 1a2k n ASP 190 Ca -0.05 1.04 0.13 0.00 -1.51 0.00 0.00 54.79 54.40 1a2k n ASP 190 Cb 0.48 -1.41 0.37 0.00 2.34 0.00 0.00 41.12 42.90 1a2k n ASP 190 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1a2k n PRO 191 N 4.58 0.16 0.01 -0.67 -0.04 -1.26 -0.38 135.00 137.40 1a2k n PRO 191 Ca 0.19 0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.68 1a2k n PRO 191 Cb 0.29 -1.64 -0.12 0.00 -0.04 0.00 0.00 33.50 31.99 1a2k n PRO 191 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a2k h ALA 192 N 2.72 0.68 -0.08 0.55 0.00 -1.98 -2.63 119.26 118.51 1a2k h ALA 192 Ca 0.00 -1.20 -0.08 0.00 0.00 0.00 0.00 54.91 53.62 1a2k h ALA 192 Cb 0.64 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1a2k h ALA 192 CO 0.00 1.35 -0.28 -0.07 0.00 0.00 0.00 179.25 180.26 1a2k h LEU 193 N 0.00 0.38 0.30 0.00 3.38 -1.93 -2.46 115.31 114.98 1a2k h LEU 193 Ca -0.20 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1a2k h LEU 193 Cb 1.86 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.47 1a2k h LEU 193 CO 0.08 0.94 -0.41 0.00 0.09 0.00 0.00 178.44 179.14 1a2k h ALA 194 N 0.46 -0.84 -0.84 1.53 0.00 -0.78 -0.71 119.26 118.07 1a2k h ALA 194 Ca -0.01 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1a2k h ALA 194 Cb 0.91 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 1a2k h ALA 194 CO 0.06 -1.02 0.46 0.00 0.00 0.00 0.00 179.25 178.75 1a2k h ALA 195 N -0.37 1.24 0.23 0.00 0.00 -1.58 0.11 119.26 118.90 1a2k h ALA 195 Ca -0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a2k h ALA 195 Cb 0.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1a2k h ALA 195 CO -0.13 0.00 -0.18 0.37 0.00 0.00 0.00 179.25 179.31 1a2k h GLN 196 N 0.71 -0.41 -0.57 0.00 4.15 -0.92 0.08 115.11 118.15 1a2k h GLN 196 Ca 0.44 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.87 1a2k h GLN 196 Cb 0.52 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 1a2k h GLN 196 CO -0.31 -0.27 0.31 1.88 -1.93 0.00 0.00 178.83 178.51 1a2k h TYR 197 N -0.42 0.79 -0.48 3.99 0.05 -0.73 0.34 116.97 120.50 1a2k h TYR 197 Ca -0.01 -0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.81 1a2k h TYR 197 Cb 0.38 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.81 1a2k h TYR 197 CO -0.12 0.58 0.18 0.93 -1.05 0.00 0.00 178.16 178.68 1a2k h GLU 198 N 0.77 0.36 -0.51 4.88 5.08 -0.74 -2.54 114.58 121.88 1a2k h GLU 198 Ca 0.20 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1a2k h GLU 198 Cb 0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1a2k h GLU 198 CO -0.03 0.24 0.12 1.25 -1.00 0.00 0.00 179.01 179.59 1a2k h HIS 199 N 0.37 0.85 -1.01 4.33 2.76 -0.19 -3.08 115.15 119.18 1a2k h HIS 199 Ca 0.23 -0.10 0.24 0.00 -2.20 0.00 0.00 60.37 58.53 1a2k h HIS 199 Cb 0.22 -0.24 -0.10 0.00 1.55 0.00 0.00 27.41 28.84 1a2k h HIS 199 CO -0.15 0.76 0.63 -0.44 -1.30 0.00 0.00 177.93 177.43 1a2k h ASP 200 N 0.70 0.56 -1.19 3.26 5.19 -0.09 -2.21 116.42 122.64 1a2k h ASP 200 Ca 0.16 0.09 -0.75 0.00 -0.62 0.00 0.00 57.03 55.92 1a2k h ASP 200 Cb 0.33 -0.00 -0.13 0.00 0.18 0.00 0.00 39.33 39.71 1a2k h ASP 200 CO 0.00 0.14 2.30 0.18 -3.12 0.00 0.00 179.24 178.74 1a2k n LEU 201 N -4.70 7.34 -0.00 1.55 4.77 -0.98 -4.04 117.00 120.94 1a2k n LEU 201 Ca 0.25 -4.73 0.00 0.00 -0.03 0.00 0.00 56.01 51.50 1a2k n LEU 201 Cb 0.77 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1a2k n LEU 201 CO 0.23 1.69 0.34 -1.84 -1.33 0.00 0.00 177.39 176.48 1a2k n GLU 202 N 3.01 1.07 0.00 3.23 -0.00 -0.83 -4.97 120.64 122.14 1a2k n GLU 202 Ca 0.51 -0.86 0.00 0.00 -0.00 0.00 0.00 57.16 56.81 1a2k n GLU 202 Cb 0.31 -0.68 0.00 0.00 -0.00 0.00 0.00 31.44 31.07 1a2k n GLU 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41