#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2n h ASP 32 N 0.00 -0.31 -0.56 1.96 3.58 -1.99 -0.83 116.42 118.27 2k2n h ASP 32 Ca 0.00 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.53 2k2n h ASP 32 Cb 0.00 0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.07 2k2n h ASP 32 CO 0.00 -0.22 0.22 -0.61 -2.88 0.00 0.00 179.24 175.75 2k2n h GLN 33 N -0.37 0.40 -0.17 0.28 4.15 -2.00 -0.90 115.11 116.50 2k2n h GLN 33 Ca -0.04 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 2k2n h GLN 33 Cb 0.29 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2k2n h GLN 33 CO 0.06 0.26 0.10 0.82 -1.93 0.00 0.00 178.83 178.14 2k2n h ILE 34 N 0.41 1.08 -0.77 2.39 1.08 -1.94 -2.85 117.51 116.91 2k2n h ILE 34 Ca 0.27 -0.20 0.06 0.00 -0.39 0.00 0.00 64.86 64.60 2k2n h ILE 34 Cb 0.29 0.91 -0.06 0.00 -3.07 0.00 0.00 36.82 34.90 2k2n h ILE 34 CO -0.26 0.07 0.46 -0.07 -0.69 0.00 0.00 178.15 177.66 2k2n h LEU 35 N 0.19 0.71 -1.47 1.44 3.38 -0.55 -0.17 115.31 118.83 2k2n h LEU 35 Ca 0.06 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.23 2k2n h LEU 35 Cb 0.03 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2k2n h LEU 35 CO -0.01 0.45 0.57 0.03 0.09 0.00 0.00 178.44 179.57 2k2n h ARG 36 N 0.84 0.46 -0.14 1.13 3.08 -0.95 0.56 114.38 119.36 2k2n h ARG 36 Ca 0.34 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.22 2k2n h ARG 36 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2k2n h ARG 36 CO -0.18 0.30 -0.53 0.00 -1.07 0.00 0.00 179.97 178.50 2k2n h ALA 37 N 1.62 0.84 -0.22 0.04 0.00 -0.93 -2.55 119.26 118.05 2k2n h ALA 37 Ca 0.45 -0.50 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 2k2n h ALA 37 Cb 1.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2k2n h ALA 37 CO -0.17 0.68 -0.64 1.79 0.00 0.00 0.00 179.25 180.91 2k2n h THR 38 N 0.31 1.28 -0.13 0.00 1.35 0.57 -2.12 112.91 114.17 2k2n h THR 38 Ca 0.01 -1.83 -0.22 0.00 -0.55 0.00 0.00 66.41 63.82 2k2n h THR 38 Cb 1.03 1.80 0.01 0.00 -1.73 0.00 0.00 68.15 69.26 2k2n h THR 38 CO 0.09 0.59 -0.78 1.62 -0.25 0.00 0.00 175.52 176.79 2k2n h VAL 39 N 0.59 1.30 -0.14 6.82 3.04 -0.85 -1.83 116.25 125.18 2k2n h VAL 39 Ca -0.02 -2.03 -0.08 0.00 -1.01 0.00 0.00 66.70 63.56 2k2n h VAL 39 Cb 1.26 2.03 0.00 0.00 -2.01 0.00 0.00 31.29 32.57 2k2n h VAL 39 CO 0.14 0.63 -0.24 -0.33 -1.01 0.00 0.00 177.57 176.76 2k2n h GLU 40 N 0.48 0.41 -0.12 4.17 5.08 -1.53 -2.46 114.58 120.61 2k2n h GLU 40 Ca -0.05 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 2k2n h GLU 40 Cb 1.40 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 2k2n h GLU 40 CO 0.15 0.85 -0.01 0.93 -1.00 0.00 0.00 179.01 179.93 2k2n h GLU 41 N 0.01 0.22 -0.89 2.33 5.08 -1.46 -2.98 114.58 116.88 2k2n h GLU 41 Ca 0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2k2n h GLU 41 Cb 0.83 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 2k2n h GLU 41 CO 0.06 0.49 0.57 0.28 -1.00 0.00 0.00 179.01 179.41 2k2n h VAL 42 N -0.08 1.24 -0.76 3.13 2.07 -1.42 -2.36 116.25 118.08 2k2n h VAL 42 Ca 0.03 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.14 2k2n h VAL 42 Cb 0.40 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 2k2n h VAL 42 CO 0.01 0.24 0.45 -0.09 0.02 0.00 0.00 177.57 178.20 2k2n h ARG 43 N 1.22 0.81 -0.50 1.57 1.12 -1.38 -0.71 114.38 116.51 2k2n h ARG 43 Ca 0.32 -0.05 0.06 0.00 -1.11 0.00 0.00 59.98 59.21 2k2n h ARG 43 Cb -0.10 -0.18 -0.03 0.00 -0.01 0.00 0.00 29.97 29.65 2k2n h ARG 43 CO -0.07 0.54 0.34 0.00 -3.11 0.00 0.00 179.97 177.67 2k2n h ALA 44 N 1.36 1.91 0.15 2.80 0.00 -1.27 2.74 119.26 126.95 2k2n h ALA 44 Ca 0.33 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.93 2k2n h ALA 44 Cb 0.15 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 17.86 2k2n h ALA 44 CO -0.17 0.00 -1.23 0.35 0.00 0.00 0.00 179.25 178.21 2k2n h PHE 45 N 0.44 0.95 0.02 0.00 3.57 -1.12 -3.34 116.94 117.47 2k2n h PHE 45 Ca 0.22 -0.62 -0.27 0.00 3.53 0.00 0.00 57.97 60.83 2k2n h PHE 45 Cb 0.30 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2k2n h PHE 45 CO -0.00 1.47 -1.44 -0.07 -2.23 0.00 0.00 178.31 176.04 2k2n h LEU 46 N 0.17 0.07 1.24 0.59 3.38 -0.65 -3.48 115.31 116.64 2k2n h LEU 46 Ca -0.20 -0.11 -0.39 0.00 0.09 0.00 0.00 57.88 57.27 2k2n h LEU 46 Cb 1.92 -0.02 -0.13 0.00 0.09 0.00 0.00 40.66 42.52 2k2n h LEU 46 CO 0.23 1.10 -0.38 0.61 0.09 0.00 0.00 178.44 180.09 2k2n n GLY 47 N 1.51 1.46 3.76 0.83 0.00 0.91 -4.93 105.19 108.73 2k2n n GLY 47 Ca -0.11 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2k2n n GLY 47 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k2n s THR 48 N -2.76 3.40 0.37 2.61 -1.32 -1.25 -4.90 115.64 111.78 2k2n s THR 48 Ca 0.00 1.38 0.19 0.00 -1.21 0.00 0.00 61.69 62.05 2k2n s THR 48 Cb 0.00 -3.88 0.37 0.00 -1.51 0.00 0.00 72.50 67.48 2k2n s THR 48 CO 0.00 0.32 1.67 0.44 -2.21 0.00 0.00 174.62 174.83 2k2n h ASP 49 N 3.91 0.44 -2.52 8.08 3.32 -1.89 -3.40 116.42 124.37 2k2n h ASP 49 Ca -0.47 0.17 0.06 0.00 0.02 0.00 0.00 57.03 56.81 2k2n h ASP 49 Cb 1.21 0.12 -0.21 0.00 0.22 0.00 0.00 39.33 40.67 2k2n h ASP 49 CO 0.67 -0.13 0.02 -0.60 -1.72 0.00 0.00 179.24 177.49 2k2n s ARG 50 N -5.56 0.61 -0.03 3.56 3.52 -1.22 -2.97 118.95 116.87 2k2n s ARG 50 Ca -0.09 1.22 -0.00 0.00 -0.13 0.00 0.00 55.73 56.72 2k2n s ARG 50 Cb 0.30 0.39 0.03 0.00 -1.56 0.00 0.00 34.95 34.10 2k2n s ARG 50 CO 0.80 -0.16 0.02 0.54 -0.81 0.00 0.00 175.30 175.70 2k2n s VAL 51 N 2.06 0.01 0.04 7.11 0.11 -1.16 -0.21 120.40 128.35 2k2n s VAL 51 Ca -0.08 0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 59.17 2k2n s VAL 51 Cb -0.07 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 2k2n s VAL 51 CO -0.19 0.12 -0.02 -1.59 -3.33 0.00 0.00 175.10 170.09 2k2n s LYS 52 N 1.23 0.49 -0.11 1.54 -2.85 -1.08 -2.23 119.74 116.73 2k2n s LYS 52 Ca -0.07 -0.95 -0.03 0.00 -1.00 0.00 0.00 55.97 53.92 2k2n s LYS 52 Cb -0.13 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.78 2k2n s LYS 52 CO -0.03 -0.09 0.01 0.08 0.10 0.00 0.00 175.35 175.43 2k2n s VAL 53 N -2.85 4.38 -0.04 1.79 1.01 -0.00 -2.96 120.40 121.73 2k2n s VAL 53 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2k2n s VAL 53 Cb 0.00 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.53 2k2n s VAL 53 CO -0.06 0.57 -0.01 -0.72 0.00 0.00 0.00 175.10 174.89 2k2n s TYR 54 N -0.58 0.47 0.18 5.22 -0.85 -1.11 -2.57 117.35 118.10 2k2n s TYR 54 Ca 0.10 -0.07 -0.17 0.00 -0.52 0.00 0.00 57.07 56.41 2k2n s TYR 54 Cb -0.12 -0.54 -0.08 0.00 0.38 0.00 0.00 41.96 41.61 2k2n s TYR 54 CO 0.02 -0.18 0.63 -0.98 -1.52 0.00 0.00 175.55 173.53 2k2n s ARG 55 N 1.18 4.13 -0.30 -3.49 1.70 -1.21 -1.87 118.95 119.08 2k2n s ARG 55 Ca -0.07 0.69 -0.16 0.00 -0.47 0.00 0.00 55.73 55.72 2k2n s ARG 55 Cb -0.13 -2.93 -0.02 0.00 -0.57 0.00 0.00 34.95 31.29 2k2n s ARG 55 CO -0.02 0.45 0.40 0.12 -1.08 0.00 0.00 175.30 175.18 2k2n s PHE 56 N -1.46 3.22 0.06 5.89 5.36 -0.85 -3.38 117.98 126.83 2k2n s PHE 56 Ca 0.40 0.26 -0.24 0.00 -0.96 0.00 0.00 56.93 56.39 2k2n s PHE 56 Cb -0.16 -2.67 -0.06 0.00 -0.34 0.00 0.00 43.02 39.79 2k2n s PHE 56 CO 0.20 -0.35 0.74 -0.51 -1.46 0.00 0.00 175.22 173.85 2k2n s ASP 57 N 1.68 7.21 0.62 6.13 1.11 -1.25 -4.92 116.67 127.25 2k2n s ASP 57 Ca 0.15 1.45 0.24 0.00 0.18 0.00 0.00 52.55 54.57 2k2n s ASP 57 Cb -0.16 -2.46 1.08 0.00 1.07 0.00 0.00 42.92 42.45 2k2n s ASP 57 CO 0.11 0.07 1.54 -0.65 1.18 0.00 0.00 175.17 177.42 2k2n h PRO 58 N 5.36 0.00 0.00 8.23 0.11 -1.97 1.90 132.00 145.63 2k2n h PRO 58 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2k2n h PRO 58 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k2n h PRO 58 CO 0.69 0.00 -0.57 0.93 -0.21 0.00 0.00 178.00 178.84 2k2n h GLU 59 N 0.00 0.00 0.00 1.05 5.08 -2.03 -3.47 114.58 115.21 2k2n h GLU 59 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2k2n h GLU 59 Cb 1.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.19 2k2n h GLU 59 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2k2n n GLY 60 N 1.20 1.40 3.56 -3.84 0.00 0.64 -4.86 105.19 103.30 2k2n n GLY 60 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2k2n n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k2n s HIS 61 N -2.20 2.14 0.15 1.61 3.76 -1.26 -4.21 115.29 115.28 2k2n s HIS 61 Ca 0.00 -0.02 -0.19 0.00 -0.15 0.00 0.00 55.06 54.70 2k2n s HIS 61 Cb 0.00 -4.38 -0.07 0.00 1.11 0.00 0.00 32.58 29.23 2k2n s HIS 61 CO 0.00 -1.92 0.65 0.20 -0.85 0.00 0.00 174.74 172.81 2k2n s GLY 62 N 6.32 2.65 0.02 -2.22 0.00 -1.26 -3.92 107.32 108.90 2k2n s GLY 62 Ca 0.56 0.09 0.08 0.00 0.00 0.00 0.00 44.72 45.45 2k2n s GLY 62 CO -0.00 0.48 -0.25 -0.51 0.00 0.00 0.00 173.10 172.82 2k2n s THR 63 N -1.33 1.96 -0.41 0.90 -4.23 -1.22 -3.18 115.64 108.13 2k2n s THR 63 Ca 0.36 -1.22 -0.29 0.00 -1.18 0.00 0.00 61.69 59.37 2k2n s THR 63 Cb -0.18 -1.66 0.01 0.00 1.34 0.00 0.00 72.50 72.01 2k2n s THR 63 CO 0.21 0.40 1.31 -0.69 -0.54 0.00 0.00 174.62 175.31 2k2n s VAL 64 N -0.71 4.04 -1.89 2.29 1.01 -1.26 -3.31 120.40 120.57 2k2n s VAL 64 Ca 0.10 1.08 0.16 0.00 0.00 0.00 0.00 61.98 63.32 2k2n s VAL 64 Cb -0.09 -4.32 0.10 0.00 0.00 0.00 0.00 36.38 32.07 2k2n s VAL 64 CO 0.01 -0.78 0.97 0.52 0.00 0.00 0.00 175.10 175.82 2k2n n VAL 65 N 6.86 0.00 -3.65 2.92 0.31 -1.06 -3.85 118.33 119.85 2k2n n VAL 65 Ca 0.15 -0.47 -0.03 0.00 -0.01 0.00 0.00 64.34 63.98 2k2n n VAL 65 Cb 0.48 1.31 -0.06 0.00 -0.91 0.00 0.00 33.84 34.66 2k2n n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k2n s ALA 66 N -1.43 -1.81 -0.04 3.52 0.00 -1.20 -4.34 121.76 116.46 2k2n s ALA 66 Ca 0.18 2.14 -0.02 0.00 0.00 0.00 0.00 51.96 54.26 2k2n s ALA 66 Cb 0.13 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.65 2k2n s ALA 66 CO 0.24 -0.84 0.10 -2.00 0.00 0.00 0.00 175.76 173.25 2k2n s GLU 67 N 2.73 0.05 0.02 0.00 2.12 -1.26 -0.82 118.70 121.53 2k2n s GLU 67 Ca -0.05 0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.59 2k2n s GLU 67 Cb -0.12 -0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.09 2k2n s GLU 67 CO -0.17 -0.14 -0.15 0.00 -0.54 0.00 0.00 175.26 174.26 2k2n s ALA 68 N 0.94 1.25 -0.03 6.30 0.00 -0.95 -4.77 121.76 124.51 2k2n s ALA 68 Ca -0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 2k2n s ALA 68 Cb -0.10 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2k2n s ALA 68 CO -0.04 0.27 0.10 -0.98 0.00 0.00 0.00 175.76 175.11 2k2n s ARG 69 N -0.79 0.19 0.40 0.00 1.70 -1.26 -3.01 118.95 116.18 2k2n s ARG 69 Ca 0.04 -0.01 0.08 0.00 -0.47 0.00 0.00 55.73 55.37 2k2n s ARG 69 Cb -0.07 0.09 0.82 0.00 -0.57 0.00 0.00 34.95 35.21 2k2n s ARG 69 CO 0.01 -0.03 1.98 0.78 -1.08 0.00 0.00 175.30 176.95 2k2n h GLY 70 N 5.60 0.40 -0.14 3.88 0.00 -1.74 -3.47 103.07 107.59 2k2n h GLY 70 Ca -0.26 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 46.89 2k2n h GLY 70 CO 0.43 0.19 0.07 0.61 0.00 0.00 0.00 176.54 177.84 2k2n n GLY 71 N -1.13 1.01 1.49 4.60 0.00 -1.26 -5.00 105.19 104.90 2k2n n GLY 71 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2k2n n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k2n n GLU 72 N -0.07 0.91 -0.04 1.61 -0.58 -1.26 -4.01 120.64 117.19 2k2n n GLU 72 Ca 0.00 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.56 2k2n n GLU 72 Cb 0.05 -1.04 -0.13 0.00 -0.57 0.00 0.00 31.44 29.75 2k2n n GLU 72 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2k2n h ARG 73 N 1.15 0.09 -6.06 3.49 9.65 -1.97 -3.46 114.38 117.26 2k2n h ARG 73 Ca 0.00 -0.15 -0.64 0.00 -1.10 0.00 0.00 59.98 58.09 2k2n h ARG 73 Cb 0.91 0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 29.48 2k2n h ARG 73 CO 0.00 1.07 -0.56 -0.51 2.80 0.00 0.00 179.97 182.77 2k2n s LEU 74 N -7.99 4.01 0.46 3.80 1.43 -1.26 -5.09 118.68 114.04 2k2n s LEU 74 Ca -0.20 0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 52.78 2k2n s LEU 74 Cb 0.01 -2.61 -0.07 0.00 0.03 0.00 0.00 46.19 43.55 2k2n s LEU 74 CO 0.71 0.19 1.16 -2.16 0.23 0.00 0.00 176.35 176.47 2k2n s PRO 75 N -2.32 3.74 -0.17 1.29 0.04 -1.26 -4.98 135.00 131.34 2k2n s PRO 75 Ca 0.30 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 2k2n s PRO 75 Cb -0.12 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 2k2n s PRO 75 CO 0.23 -0.56 1.16 -1.12 0.04 0.00 0.00 177.00 176.74 2k2n s SER 76 N -1.40 7.04 -0.05 6.66 0.01 -1.26 -4.89 113.70 119.80 2k2n s SER 76 Ca 0.64 1.59 0.21 0.00 1.31 0.00 0.00 55.95 59.70 2k2n s SER 76 Cb -0.28 -2.54 0.68 0.00 0.21 0.00 0.00 66.02 64.09 2k2n s SER 76 CO 0.34 -0.68 1.58 0.18 0.41 0.00 0.00 173.24 175.07 2k2n n LEU 77 N 6.17 4.31 -4.73 2.44 4.77 -1.26 -4.95 117.00 123.76 2k2n n LEU 77 Ca 0.12 -2.20 -0.42 0.00 -0.03 0.00 0.00 56.01 53.49 2k2n n LEU 77 Cb 0.46 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2k2n n LEU 77 CO 0.54 0.91 0.88 -0.22 -1.33 0.00 0.00 177.39 178.17 2k2n s LEU 78 N -1.38 4.42 0.00 2.23 2.96 -1.26 -2.85 118.68 122.80 2k2n s LEU 78 Ca 0.50 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 2k2n s LEU 78 Cb 0.29 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.38 2k2n s LEU 78 CO 0.29 -0.41 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 2k2n n GLY 79 N 2.69 2.27 3.88 7.98 0.00 -1.25 -5.02 105.19 115.74 2k2n n GLY 79 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2k2n n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k2n s LEU 80 N 0.00 3.80 -0.21 0.99 1.43 -1.13 -4.98 118.68 118.58 2k2n s LEU 80 Ca 0.00 1.10 -0.08 0.00 -1.03 0.00 0.00 54.13 54.12 2k2n s LEU 80 Cb 0.00 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.19 2k2n s LEU 80 CO 0.00 -0.42 0.08 0.42 0.23 0.00 0.00 176.35 176.66 2k2n s THR 81 N -2.43 4.77 0.49 5.49 -4.23 -1.26 -4.08 115.64 114.39 2k2n s THR 81 Ca 0.51 -0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 60.79 2k2n s THR 81 Cb -0.10 -3.18 -0.08 0.00 1.34 0.00 0.00 72.50 70.47 2k2n s THR 81 CO 0.33 0.40 1.00 -0.36 -0.54 0.00 0.00 174.62 175.46 2k2n s PHE 82 N 0.83 3.22 -0.07 3.99 0.40 -1.19 -4.96 117.98 120.20 2k2n s PHE 82 Ca 0.04 1.55 -0.29 0.00 -0.60 0.00 0.00 56.93 57.63 2k2n s PHE 82 Cb -0.13 -2.91 -0.06 0.00 0.51 0.00 0.00 43.02 40.42 2k2n s PHE 82 CO 0.02 -0.51 1.86 -1.25 0.70 0.00 0.00 175.22 176.05 2k2n s PRO 83 N -3.55 3.94 -0.06 0.24 0.04 -1.26 -4.56 135.00 129.80 2k2n s PRO 83 Ca 0.63 2.26 -0.37 0.00 0.04 0.00 0.00 61.00 63.55 2k2n s PRO 83 Cb -0.12 -4.13 -0.15 0.00 0.04 0.00 0.00 34.50 30.14 2k2n s PRO 83 CO 0.23 -1.15 1.59 0.00 0.04 0.00 0.00 177.00 177.71 2k2n n ALA 84 N 8.20 -0.13 0.00 8.56 0.00 -1.26 -0.87 120.51 135.00 2k2n n ALA 84 Ca 0.20 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2k2n n ALA 84 Cb 0.43 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.65 2k2n n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2n n GLY 85 N 3.50 0.62 0.34 0.00 0.00 -1.26 -4.95 105.19 103.44 2k2n n GLY 85 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.36 2k2n n GLY 85 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k2n h ASP 86 N 0.00 0.27 -3.39 1.61 3.04 -1.32 -3.39 116.42 113.24 2k2n h ASP 86 Ca 0.00 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.24 2k2n h ASP 86 Cb 0.00 -0.05 -0.04 0.00 -1.04 0.00 0.00 39.33 38.20 2k2n h ASP 86 CO 0.00 0.17 0.19 -0.51 -2.04 0.00 0.00 179.24 177.04 2k2n s ILE 87 N -5.30 4.92 0.00 4.15 1.10 -1.26 -5.06 121.20 119.75 2k2n s ILE 87 Ca -0.07 1.67 0.00 0.00 -0.51 0.00 0.00 60.65 61.74 2k2n s ILE 87 Cb 0.19 -4.14 0.00 0.00 0.15 0.00 0.00 42.46 38.66 2k2n s ILE 87 CO 0.74 0.25 0.00 -0.81 -2.11 0.00 0.00 174.94 173.01 2k2n n PRO 88 N 3.58 -0.88 -0.09 3.50 -0.04 -1.26 -5.03 135.00 134.79 2k2n n PRO 88 Ca 0.01 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2k2n n PRO 88 Cb 0.51 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.90 2k2n n PRO 88 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k2n n GLU 89 N -1.41 0.40 -0.12 0.54 1.02 -1.26 -4.31 120.64 115.50 2k2n n GLU 89 Ca 0.00 0.13 -0.13 0.00 -0.02 0.00 0.00 57.16 57.14 2k2n n GLU 89 Cb 0.00 -1.24 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 2k2n n GLU 89 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k2n h GLU 90 N -0.30 0.85 -0.32 3.49 3.07 -1.96 -2.40 114.58 117.01 2k2n h GLU 90 Ca -0.41 -0.43 -0.07 0.00 -0.50 0.00 0.00 59.36 57.95 2k2n h GLU 90 Cb 1.50 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.40 2k2n h GLU 90 CO -0.16 1.07 -0.07 0.00 -1.40 0.00 0.00 179.01 178.44 2k2n h ALA 91 N 0.77 0.44 -0.40 3.43 0.00 -1.89 -2.61 119.26 118.99 2k2n h ALA 91 Ca 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2k2n h ALA 91 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2k2n h ALA 91 CO 0.08 0.27 0.06 -0.09 0.00 0.00 0.00 179.25 179.57 2k2n h ARG 92 N 0.40 0.67 -0.39 0.00 2.43 -1.74 -1.87 114.38 113.87 2k2n h ARG 92 Ca 0.08 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2k2n h ARG 92 Cb 0.57 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2k2n h ARG 92 CO 0.03 0.71 0.20 0.00 -1.51 0.00 0.00 179.97 179.41 2k2n h ARG 93 N 0.51 0.53 -0.26 0.20 3.08 -1.44 -1.90 114.38 115.11 2k2n h ARG 93 Ca 0.12 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 2k2n h ARG 93 Cb 0.37 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 2k2n h ARG 93 CO 0.01 0.41 -0.54 -0.07 -1.07 0.00 0.00 179.97 178.71 2k2n h LEU 94 N 0.54 0.87 -2.11 3.04 3.38 -1.21 -2.78 115.31 117.03 2k2n h LEU 94 Ca 0.14 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.69 2k2n h LEU 94 Cb 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2k2n h LEU 94 CO -0.02 1.24 0.12 0.15 0.09 0.00 0.00 178.44 180.02 2k2n h PHE 95 N 0.60 0.00 0.00 1.13 3.57 -0.54 1.22 116.94 122.92 2k2n h PHE 95 Ca 0.01 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 2k2n h PHE 95 Cb 1.13 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2k2n h PHE 95 CO 0.06 0.00 -0.74 -0.09 -2.23 0.00 0.00 178.31 175.32 2k2n h ARG 96 N 0.00 0.00 0.03 1.11 2.43 -1.20 -2.36 114.38 114.40 2k2n h ARG 96 Ca 0.07 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.86 2k2n h ARG 96 Cb 0.32 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 2k2n h ARG 96 CO -0.00 0.74 -2.33 1.28 -1.51 0.00 0.00 179.97 178.14 2k2n n LEU 97 N -3.65 2.73 -0.02 3.80 4.77 0.56 -4.33 117.00 120.86 2k2n n LEU 97 Ca -0.01 -0.03 0.01 0.00 -0.03 0.00 0.00 56.01 55.95 2k2n n LEU 97 Cb 0.72 -0.89 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2k2n n LEU 97 CO 0.44 0.89 0.08 0.00 -1.33 0.00 0.00 177.39 177.46 2k2n n ALA 98 N -3.15 2.31 -3.43 -1.18 0.00 0.39 -5.05 120.51 110.39 2k2n n ALA 98 Ca -0.41 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 52.51 2k2n n ALA 98 Cb 1.01 -0.06 0.03 0.00 0.00 0.00 0.00 19.45 20.43 2k2n n ALA 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k2n n GLN 99 N -0.72 -1.69 0.00 0.00 3.00 -0.89 -4.95 117.38 112.13 2k2n n GLN 99 Ca 0.01 1.15 0.00 0.00 -0.01 0.00 0.00 57.00 58.15 2k2n n GLN 99 Cb 0.03 -1.89 0.00 0.00 0.00 0.00 0.00 30.24 28.38 2k2n n GLN 99 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 2k2n n VAL 100 N -0.77 0.00 -3.59 5.09 3.14 -1.26 -4.86 118.33 116.08 2k2n n VAL 100 Ca -0.14 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.08 2k2n n VAL 100 Cb 0.64 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.36 2k2n n VAL 100 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2k2n s ARG 101 N 0.00 0.96 -0.22 1.45 6.06 -1.25 -4.85 118.95 121.10 2k2n s ARG 101 Ca 0.00 0.06 -0.28 0.00 -2.50 0.00 0.00 55.73 53.01 2k2n s ARG 101 Cb 0.00 0.45 0.14 0.00 0.06 0.00 0.00 34.95 35.59 2k2n s ARG 101 CO 0.00 -0.30 1.08 0.54 -2.50 0.00 0.00 175.30 174.12 2k2n s VAL 102 N -1.45 0.00 -0.14 7.11 0.11 -1.26 -2.17 120.40 122.60 2k2n s VAL 102 Ca -0.11 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.91 2k2n s VAL 102 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 2k2n s VAL 102 CO 0.06 0.00 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.18 2k2n s ILE 103 N -0.55 3.98 0.49 7.04 1.01 0.22 -4.88 121.20 128.52 2k2n s ILE 103 Ca 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 2k2n s ILE 103 Cb -0.02 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.72 2k2n s ILE 103 CO -0.03 0.51 0.73 0.68 0.00 0.00 0.00 174.94 176.83 2k2n s VAL 104 N 0.13 3.83 -0.31 2.92 -7.23 -1.26 -2.42 120.40 116.06 2k2n s VAL 104 Ca -0.01 -0.39 -0.39 0.00 -1.81 0.00 0.00 61.98 59.38 2k2n s VAL 104 Cb -0.13 -3.44 -0.15 0.00 0.56 0.00 0.00 36.38 33.22 2k2n s VAL 104 CO 0.03 -0.34 1.87 -0.67 -0.31 0.00 0.00 175.10 175.67 2k2n n ASP 105 N -2.21 2.23 0.31 4.85 2.03 -1.26 -4.58 116.55 117.93 2k2n n ASP 105 Ca 0.03 0.91 0.15 0.00 0.52 0.00 0.00 54.79 56.39 2k2n n ASP 105 Cb 0.58 -1.15 0.78 0.00 -0.72 0.00 0.00 41.12 40.60 2k2n n ASP 105 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2k2n h VAL 106 N 5.76 0.00 -0.32 5.18 3.04 -1.75 0.10 116.25 128.26 2k2n h VAL 106 Ca -0.40 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.24 2k2n h VAL 106 Cb 1.33 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 2k2n h VAL 106 CO 0.98 0.00 -0.01 -0.08 -1.01 0.00 0.00 177.57 177.45 2k2n h GLU 107 N 0.00 0.57 0.00 4.17 4.81 -1.87 -1.02 114.58 121.24 2k2n h GLU 107 Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2k2n h GLU 107 Cb 0.63 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2k2n h GLU 107 CO 0.00 0.71 0.00 0.00 -0.73 0.00 0.00 179.01 178.99 2k2n n ALA 108 N -2.38 1.70 -3.61 2.92 0.00 0.35 -4.88 120.51 114.61 2k2n n ALA 108 Ca -0.02 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 2k2n n ALA 108 Cb 0.27 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2k2n n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2n n GLN 109 N -1.24 -1.23 -2.48 0.00 10.64 -0.39 -4.88 117.38 117.80 2k2n n GLN 109 Ca 0.06 0.58 -0.42 0.00 -1.83 0.00 0.00 57.00 55.38 2k2n n GLN 109 Cb 0.08 -1.84 -0.03 0.00 -0.86 0.00 0.00 30.24 27.59 2k2n n GLN 109 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 2k2n s SER 110 N -2.87 7.15 0.01 2.61 1.04 -1.26 -5.02 113.70 115.36 2k2n s SER 110 Ca 0.02 1.98 0.08 0.00 0.48 0.00 0.00 55.95 58.51 2k2n s SER 110 Cb -0.01 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 2k2n s SER 110 CO 0.75 -0.40 -0.24 0.00 0.98 0.00 0.00 173.24 174.34 2k2n s ARG 111 N 0.79 1.78 -0.10 4.02 1.70 -1.26 -4.04 118.95 121.84 2k2n s ARG 111 Ca 0.56 -0.94 0.00 0.00 -0.47 0.00 0.00 55.73 54.89 2k2n s ARG 111 Cb -0.28 -1.82 0.02 0.00 -0.57 0.00 0.00 34.95 32.30 2k2n s ARG 111 CO 0.30 0.48 -0.07 0.45 -1.08 0.00 0.00 175.30 175.38 2k2n s SER 112 N -0.86 1.96 0.36 -2.89 0.15 -1.25 -4.67 113.70 106.51 2k2n s SER 112 Ca 0.09 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.51 2k2n s SER 112 Cb -0.09 -0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 63.40 2k2n s SER 112 CO 0.00 -0.09 0.10 -0.63 1.20 0.00 0.00 173.24 173.82 2k2n s ILE 113 N 1.48 0.81 0.00 6.45 1.01 -1.26 -3.92 121.20 125.78 2k2n s ILE 113 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.65 2k2n s ILE 113 Cb -0.13 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2k2n s ILE 113 CO -0.05 0.00 0.00 -0.24 0.00 0.00 0.00 174.94 174.65 2k2n n SER 114 N -0.98 0.00 -4.51 3.58 2.88 -1.26 -4.42 113.62 108.92 2k2n n SER 114 Ca -0.04 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.05 2k2n n SER 114 Cb 0.66 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.06 2k2n n SER 114 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2k2n n GLN 115 N 0.00 1.23 -0.06 -1.46 -0.06 -1.26 -4.81 117.38 110.96 2k2n n GLN 115 Ca 0.00 0.28 -0.22 0.00 -2.00 0.00 0.00 57.00 55.06 2k2n n GLN 115 Cb 0.00 -2.78 -0.13 0.00 -4.06 0.00 0.00 30.24 23.27 2k2n n GLN 115 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2k2n n PRO 116 N 8.52 0.67 -2.86 3.69 -0.04 -1.26 -4.98 135.00 138.75 2k2n n PRO 116 Ca 0.39 0.33 -0.19 0.00 -0.04 0.00 0.00 63.50 63.99 2k2n n PRO 116 Cb 0.33 -1.67 0.02 0.00 -0.04 0.00 0.00 33.50 32.14 2k2n n PRO 116 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2k2n s GLU 117 N -2.50 2.72 0.17 0.54 2.02 -1.26 -4.83 118.70 115.56 2k2n s GLU 117 Ca -0.28 -0.99 0.05 0.00 0.02 0.00 0.00 54.97 53.78 2k2n s GLU 117 Cb 0.08 -2.63 -0.05 0.00 0.10 0.00 0.00 34.13 31.63 2k2n s GLU 117 CO 0.67 -0.46 -0.11 -1.54 0.02 0.00 0.00 175.26 173.84 2k2n s SER 118 N -4.37 2.02 -0.02 -0.19 1.04 -1.26 -5.09 113.70 105.83 2k2n s SER 118 Ca 0.55 -1.03 -0.32 0.00 0.48 0.00 0.00 55.95 55.64 2k2n s SER 118 Cb -0.10 -0.05 -0.10 0.00 0.10 0.00 0.00 66.02 65.87 2k2n s SER 118 CO 0.36 -0.30 1.94 -2.67 0.98 0.00 0.00 173.24 173.55 2k2n n TRP 119 N -0.27 2.44 0.00 5.02 2.14 -1.26 -4.86 117.44 120.65 2k2n n TRP 119 Ca -0.09 -0.22 0.00 0.00 2.07 0.00 0.00 57.50 59.25 2k2n n TRP 119 Cb 0.61 -2.75 0.00 0.00 -0.81 0.00 0.00 31.31 28.36 2k2n n TRP 119 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2k2n n GLY 120 N 4.49 -1.30 3.80 -1.67 0.00 -1.26 -4.96 105.19 104.29 2k2n n GLY 120 Ca 0.21 0.92 -0.39 0.00 0.00 0.00 0.00 46.02 46.76 2k2n n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k2n s LEU 121 N 0.00 4.54 0.32 0.99 1.43 -1.05 -4.97 118.68 119.93 2k2n s LEU 121 Ca 0.00 1.36 -0.00 0.00 -1.03 0.00 0.00 54.13 54.46 2k2n s LEU 121 Cb 0.00 -3.00 0.51 0.00 0.03 0.00 0.00 46.19 43.73 2k2n s LEU 121 CO 0.00 0.25 1.95 -1.28 0.23 0.00 0.00 176.35 177.50 2k2n h SER 122 N 4.54 0.82 -0.38 2.29 0.87 -2.00 -2.51 113.55 117.18 2k2n h SER 122 Ca -0.49 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 59.99 2k2n h SER 122 Cb 1.21 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 2k2n h SER 122 CO 0.64 0.64 0.10 0.00 -0.53 0.00 0.00 176.83 177.69 2k2n h ALA 123 N 1.50 0.50 -3.40 6.23 0.00 -2.03 -3.44 119.26 118.62 2k2n h ALA 123 Ca 0.24 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 2k2n h ALA 123 Cb -0.01 -0.15 -0.25 0.00 0.00 0.00 0.00 17.79 17.39 2k2n h ALA 123 CO -0.04 0.16 -0.72 0.50 0.00 0.00 0.00 179.25 179.15 2k2n s ARG 124 N -5.34 0.19 -0.65 0.00 6.06 -0.95 -5.11 118.95 113.16 2k2n s ARG 124 Ca -0.13 -0.31 0.03 0.00 -2.50 0.00 0.00 55.73 52.82 2k2n s ARG 124 Cb 0.10 -0.01 0.16 0.00 0.06 0.00 0.00 34.95 35.26 2k2n s ARG 124 CO 0.76 -0.01 0.43 0.14 -2.50 0.00 0.00 175.30 174.12 2k2n s VAL 125 N -0.70 3.02 0.72 7.11 -7.23 -1.25 -2.54 120.40 119.53 2k2n s VAL 125 Ca -0.07 -3.77 -0.17 0.00 -1.81 0.00 0.00 61.98 56.17 2k2n s VAL 125 Cb -0.05 -3.00 -0.07 0.00 0.56 0.00 0.00 36.38 33.82 2k2n s VAL 125 CO -0.00 -0.93 0.23 -2.65 -0.31 0.00 0.00 175.10 171.44 2k2n n PRO 126 N 2.57 0.19 0.33 4.82 -0.02 -1.26 -4.79 135.00 136.83 2k2n n PRO 126 Ca 0.13 0.09 0.20 0.00 -2.02 0.00 0.00 63.50 61.90 2k2n n PRO 126 Cb 0.34 -1.56 1.07 0.00 -0.02 0.00 0.00 33.50 33.33 2k2n n PRO 126 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k2n h LEU 127 N -0.41 0.00 -7.53 2.45 4.07 -2.00 -3.37 115.31 108.53 2k2n h LEU 127 Ca -0.44 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.21 2k2n h LEU 127 Cb 1.36 0.00 0.08 0.00 1.08 0.00 0.00 40.66 43.18 2k2n h LEU 127 CO 0.40 0.00 0.71 0.61 -1.08 0.00 0.00 178.44 179.08 2k2n n GLY 128 N -1.13 0.04 2.37 0.83 0.00 -1.26 -4.59 105.19 101.45 2k2n n GLY 128 Ca -0.03 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 2k2n n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k2n n GLU 129 N 8.00 0.50 -2.49 1.61 1.02 -1.26 -4.93 120.64 123.09 2k2n n GLU 129 Ca 0.43 -2.95 -0.27 0.00 -0.02 0.00 0.00 57.16 54.36 2k2n n GLU 129 Cb 0.44 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 30.45 2k2n n GLU 129 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2k2n s PRO 130 N -0.33 3.11 0.00 3.49 0.04 -1.26 -4.97 135.00 135.08 2k2n s PRO 130 Ca 0.33 0.03 0.25 0.00 0.04 0.00 0.00 61.00 61.66 2k2n s PRO 130 Cb 0.11 -2.31 1.24 0.00 0.04 0.00 0.00 34.50 33.58 2k2n s PRO 130 CO -0.15 -0.53 1.82 1.28 0.04 0.00 0.00 177.00 179.46 2k2n n LEU 131 N -2.47 0.00 -4.50 -3.56 4.77 -1.26 -4.51 117.00 105.48 2k2n n LEU 131 Ca 0.03 0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.88 2k2n n LEU 131 Cb 0.57 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2k2n n LEU 131 CO 0.53 -0.05 1.27 -1.10 -1.33 0.00 0.00 177.39 176.70 2k2n s GLN 132 N -2.59 3.67 -0.64 3.23 -1.52 -1.26 -4.89 119.66 115.67 2k2n s GLN 132 Ca 0.23 -1.63 0.05 0.00 -1.95 0.00 0.00 55.36 52.05 2k2n s GLN 132 Cb 0.17 -5.13 0.17 0.00 -0.22 0.00 0.00 33.01 27.99 2k2n s GLN 132 CO 0.38 -1.96 0.46 1.03 -0.25 0.00 0.00 175.29 174.95 2k2n s ARG 133 N 3.49 2.12 0.25 2.91 1.81 -1.26 -5.10 118.95 123.17 2k2n s ARG 133 Ca 0.40 -3.07 -0.29 0.00 -1.72 0.00 0.00 55.73 51.05 2k2n s ARG 133 Cb -0.02 -2.99 -0.15 0.00 -0.45 0.00 0.00 34.95 31.34 2k2n s ARG 133 CO -0.08 -1.31 0.95 -2.30 -0.68 0.00 0.00 175.30 171.89 2k2n n PRO 134 N 2.18 1.07 -3.86 3.54 -0.02 -1.26 -4.91 135.00 131.73 2k2n n PRO 134 Ca 0.22 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.71 2k2n n PRO 134 Cb 0.38 -1.70 -0.12 0.00 -0.02 0.00 0.00 33.50 32.03 2k2n n PRO 134 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k2n s VAL 135 N -0.89 4.38 0.65 -1.45 1.01 -1.26 -4.51 120.40 118.34 2k2n s VAL 135 Ca 0.62 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.27 2k2n s VAL 135 Cb -0.77 -3.02 -0.13 0.00 0.00 0.00 0.00 36.38 32.46 2k2n s VAL 135 CO 0.58 0.37 -0.12 -0.67 0.00 0.00 0.00 175.10 175.26 2k2n n ASP 136 N 4.53 -3.59 -0.07 3.32 -0.08 -1.25 -3.74 116.55 115.67 2k2n n ASP 136 Ca -0.16 0.55 0.06 0.00 -1.51 0.00 0.00 54.79 53.72 2k2n n ASP 136 Cb 0.52 -0.91 0.41 0.00 2.34 0.00 0.00 41.12 43.47 2k2n n ASP 136 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2k2n h PRO 137 N -0.26 0.59 -0.74 -0.67 0.13 -1.88 -3.02 132.00 126.16 2k2n h PRO 137 Ca -0.43 -0.04 0.17 0.00 -0.87 0.00 0.00 66.00 64.84 2k2n h PRO 137 Cb 1.40 -0.13 -0.12 0.00 0.13 0.00 0.00 31.00 32.28 2k2n h PRO 137 CO 0.38 0.39 0.13 0.00 -0.23 0.00 0.00 178.00 178.67 2k2n h HIS 139 N 0.21 0.00 0.17 0.00 -0.00 -1.86 -3.10 115.15 110.56 2k2n h HIS 139 Ca 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.78 2k2n h HIS 139 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 2k2n h HIS 139 CO -0.31 0.78 -0.08 0.28 -0.00 0.00 0.00 177.93 178.59 2k2n h VAL 140 N 0.00 0.94 0.00 5.26 2.07 -1.12 -2.00 116.25 121.39 2k2n h VAL 140 Ca -0.07 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 2k2n h VAL 140 Cb 1.65 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 2k2n h VAL 140 CO 0.09 0.12 -0.25 0.45 0.02 0.00 0.00 177.57 178.00 2k2n h HIS 141 N -0.49 0.00 -0.81 1.57 3.86 -1.41 -1.47 115.15 116.41 2k2n h HIS 141 Ca -0.02 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2k2n h HIS 141 Cb 0.38 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 2k2n h HIS 141 CO 0.01 0.25 0.54 -0.92 0.86 0.00 0.00 177.93 178.67 2k2n h TYR 142 N 0.00 1.02 -0.14 2.45 3.20 -1.41 -0.64 116.97 121.45 2k2n h TYR 142 Ca -0.00 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.69 2k2n h TYR 142 Cb 0.52 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2k2n h TYR 142 CO 0.00 0.64 -0.72 -0.07 -1.64 0.00 0.00 178.16 176.37 2k2n h LEU 143 N 1.10 0.76 -1.18 2.82 3.38 -0.74 -2.65 115.31 118.79 2k2n h LEU 143 Ca 0.30 -0.48 0.19 0.00 0.09 0.00 0.00 57.88 57.97 2k2n h LEU 143 Cb -0.13 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.31 2k2n h LEU 143 CO -0.06 1.25 0.61 0.50 0.09 0.00 0.00 178.44 180.83 2k2n h LYS 144 N 0.45 0.65 0.00 1.13 1.63 -0.57 2.78 116.57 122.65 2k2n h LYS 144 Ca -0.03 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2k2n h LYS 144 Cb 1.32 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2k2n h LYS 144 CO 0.14 0.43 -0.02 0.66 -3.45 0.00 0.00 179.45 177.21 2k2n h SER 145 N 0.67 0.00 -0.02 4.20 4.64 -0.79 -0.70 113.55 121.56 2k2n h SER 145 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2k2n h SER 145 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2k2n h SER 145 CO -0.30 0.02 -0.00 0.23 -0.87 0.00 0.00 176.83 175.92 2k2n n MET 146 N -3.16 2.02 -1.32 4.77 2.81 0.91 -4.93 117.12 118.23 2k2n n MET 146 Ca -0.01 -1.49 -0.09 0.00 -1.81 0.00 0.00 57.70 54.31 2k2n n MET 146 Cb 0.24 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.24 2k2n n MET 146 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k2n n GLY 147 N 1.27 0.99 3.65 3.03 0.00 -0.04 -5.01 105.19 109.08 2k2n n GLY 147 Ca 0.16 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 2k2n n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k2n s VAL 148 N -2.34 4.02 -0.15 1.61 1.01 -0.94 -4.27 120.40 119.35 2k2n s VAL 148 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2k2n s VAL 148 Cb 0.00 -2.76 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 2k2n s VAL 148 CO 0.00 0.41 -0.15 0.00 0.00 0.00 0.00 175.10 175.36 2k2n n ALA 149 N 1.54 1.75 -3.74 5.51 0.00 -0.85 -3.91 120.51 120.81 2k2n n ALA 149 Ca -0.15 -0.63 -0.22 0.00 0.00 0.00 0.00 53.44 52.44 2k2n n ALA 149 Cb 0.53 0.19 -0.17 0.00 0.00 0.00 0.00 19.45 20.00 2k2n n ALA 149 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k2n s SER 150 N -5.66 1.37 -0.03 0.00 0.15 -1.16 -1.96 113.70 106.40 2k2n s SER 150 Ca -0.20 -0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.38 2k2n s SER 150 Cb 0.06 -0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 63.91 2k2n s SER 150 CO 0.33 -0.16 -0.07 -0.44 1.20 0.00 0.00 173.24 174.10 2k2n s SER 151 N 1.66 4.58 -0.06 5.45 0.01 -1.01 -2.52 113.70 121.81 2k2n s SER 151 Ca 0.00 -0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.22 2k2n s SER 151 Cb -0.13 -1.10 -0.02 0.00 0.21 0.00 0.00 66.02 64.99 2k2n s SER 151 CO -0.04 0.33 -0.22 -0.22 0.41 0.00 0.00 173.24 173.50 2k2n s LEU 152 N -1.08 2.26 -0.20 2.44 2.96 -0.82 0.72 118.68 124.95 2k2n s LEU 152 Ca 0.14 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2k2n s LEU 152 Cb -0.11 -1.43 0.04 0.00 0.50 0.00 0.00 46.19 45.19 2k2n s LEU 152 CO 0.04 0.27 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.53 2k2n s VAL 153 N -0.29 1.77 -0.12 1.68 1.01 -0.92 -0.25 120.40 123.27 2k2n s VAL 153 Ca 0.01 -1.08 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 2k2n s VAL 153 Cb -0.13 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2k2n s VAL 153 CO 0.03 0.20 -0.12 -0.69 0.00 0.00 0.00 175.10 174.52 2k2n s VAL 154 N 1.34 3.19 -0.07 2.92 1.01 -1.09 -3.76 120.40 123.95 2k2n s VAL 154 Ca -0.01 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 2k2n s VAL 154 Cb -0.16 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2k2n s VAL 154 CO -0.08 0.53 1.14 -2.16 0.00 0.00 0.00 175.10 174.53 2k2n s PRO 155 N 0.21 4.38 -0.45 2.72 0.04 -1.26 -3.05 135.00 137.58 2k2n s PRO 155 Ca -0.07 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.61 2k2n s PRO 155 Cb -0.15 -3.55 0.42 0.00 0.04 0.00 0.00 34.50 31.26 2k2n s PRO 155 CO 0.05 -0.40 1.19 1.28 0.04 0.00 0.00 177.00 179.15 2k2n n LEU 156 N 5.10 4.94 -4.12 -3.56 4.77 -1.26 -4.80 117.00 118.07 2k2n n LEU 156 Ca 0.10 -5.14 -0.14 0.00 -0.03 0.00 0.00 56.01 50.79 2k2n n LEU 156 Cb 0.47 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2k2n n LEU 156 CO 0.54 2.19 0.06 0.00 -1.33 0.00 0.00 177.39 178.85 2k2n s MET 157 N -3.58 1.76 1.10 3.23 0.23 -1.26 -4.62 119.30 116.14 2k2n s MET 157 Ca 0.49 -1.73 -0.14 0.00 -1.03 0.00 0.00 55.69 53.28 2k2n s MET 157 Cb 0.40 0.41 0.24 0.00 -1.53 0.00 0.00 34.83 34.35 2k2n s MET 157 CO -0.18 -0.70 1.07 -1.58 -2.03 0.00 0.00 175.02 171.60 2k2n s HIS 158 N -3.37 1.54 0.06 3.16 2.46 -1.02 -4.97 115.29 113.15 2k2n s HIS 158 Ca 0.32 0.90 -0.27 0.00 0.47 0.00 0.00 55.06 56.49 2k2n s HIS 158 Cb 0.01 -3.25 -0.17 0.00 -0.13 0.00 0.00 32.58 29.04 2k2n s HIS 158 CO 0.19 -3.41 1.58 0.45 -2.47 0.00 0.00 174.74 171.08 2k2n h HIS 159 N -2.27 -0.32 0.00 3.88 3.86 -1.96 -3.38 115.15 114.96 2k2n h HIS 159 Ca -0.54 -0.01 -0.31 0.00 -1.16 0.00 0.00 60.37 58.34 2k2n h HIS 159 Cb 1.33 0.11 -0.06 0.00 1.06 0.00 0.00 27.41 29.85 2k2n h HIS 159 CO -0.29 -0.13 -2.19 1.04 0.86 0.00 0.00 177.93 177.21 2k2n n GLN 160 N -5.20 0.58 -3.12 2.45 6.02 -1.26 -4.59 117.38 112.26 2k2n n GLN 160 Ca -0.10 0.11 -0.39 0.00 -0.01 0.00 0.00 57.00 56.62 2k2n n GLN 160 Cb 0.19 -1.42 -0.05 0.00 1.02 0.00 0.00 30.24 29.98 2k2n n GLN 160 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2k2n s GLU 161 N -2.42 4.39 -0.27 -1.09 -6.30 -1.26 -4.79 118.70 106.95 2k2n s GLU 161 Ca -0.27 0.83 -0.07 0.00 -2.50 0.00 0.00 54.97 52.96 2k2n s GLU 161 Cb 0.07 -3.37 -0.01 0.00 0.00 0.00 0.00 34.13 30.82 2k2n s GLU 161 CO 0.50 0.27 0.08 -0.51 0.02 0.00 0.00 175.26 175.62 2k2n s LEU 162 N 0.10 3.63 -0.15 2.70 1.02 -1.26 -2.43 118.68 122.28 2k2n s LEU 162 Ca 0.34 -0.45 -0.07 0.00 0.02 0.00 0.00 54.13 53.97 2k2n s LEU 162 Cb -0.18 -1.90 -0.24 0.00 0.02 0.00 0.00 46.19 43.88 2k2n s LEU 162 CO 0.18 -0.11 0.24 0.79 0.02 0.00 0.00 176.35 177.48 2k2n n TRP 163 N 4.90 1.02 -3.63 0.29 7.02 -1.26 -4.80 117.44 120.98 2k2n n TRP 163 Ca -0.15 0.23 -0.05 0.00 -1.02 0.00 0.00 57.50 56.51 2k2n n TRP 163 Cb 0.50 -1.13 0.02 0.00 -2.42 0.00 0.00 31.31 28.28 2k2n n TRP 163 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2k2n n GLY 164 N 1.98 1.10 3.02 6.99 0.00 -1.26 -2.00 105.19 115.02 2k2n n GLY 164 Ca -0.35 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 2k2n n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k2n s LEU 165 N 0.00 1.47 -0.14 0.99 1.02 -0.78 -4.50 118.68 116.74 2k2n s LEU 165 Ca 0.13 0.27 -0.09 0.00 0.02 0.00 0.00 54.13 54.46 2k2n s LEU 165 Cb -0.03 0.48 -0.05 0.00 0.02 0.00 0.00 46.19 46.62 2k2n s LEU 165 CO 0.07 -0.05 0.18 -0.22 0.02 0.00 0.00 176.35 176.34 2k2n s LEU 166 N 0.04 4.32 -0.03 1.79 2.96 -1.17 -2.77 118.68 123.83 2k2n s LEU 166 Ca -0.00 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 2k2n s LEU 166 Cb -0.01 -2.16 0.03 0.00 0.50 0.00 0.00 46.19 44.55 2k2n s LEU 166 CO 0.00 0.29 0.01 0.54 -1.32 0.00 0.00 176.35 175.88 2k2n s VAL 167 N -0.42 0.09 0.10 1.68 0.11 -1.16 -2.66 120.40 118.14 2k2n s VAL 167 Ca 0.14 0.15 0.04 0.00 -2.93 0.00 0.00 61.98 59.38 2k2n s VAL 167 Cb -0.12 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 2k2n s VAL 167 CO 0.03 0.13 0.04 -0.55 -3.33 0.00 0.00 175.10 171.42 2k2n s SER 168 N 1.12 5.21 -0.04 3.54 0.15 0.65 -2.65 113.70 121.69 2k2n s SER 168 Ca -0.08 -0.13 0.04 0.00 0.70 0.00 0.00 55.95 56.47 2k2n s SER 168 Cb -0.13 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 2k2n s SER 168 CO -0.02 0.16 -0.15 -1.00 1.20 0.00 0.00 173.24 173.43 2k2n s HIS 169 N -1.40 1.50 -0.16 3.44 3.76 0.70 -1.95 115.29 121.19 2k2n s HIS 169 Ca 0.27 -0.43 -0.02 0.00 -0.15 0.00 0.00 55.06 54.73 2k2n s HIS 169 Cb -0.12 -1.03 0.05 0.00 1.11 0.00 0.00 32.58 32.59 2k2n s HIS 169 CO 0.20 -0.16 -0.00 -1.01 -0.85 0.00 0.00 174.74 172.91 2k2n s HIS 170 N 0.14 1.22 -0.48 1.40 3.76 -1.05 -2.88 115.29 117.41 2k2n s HIS 170 Ca -0.05 -0.82 0.22 0.00 -0.15 0.00 0.00 55.06 54.27 2k2n s HIS 170 Cb -0.11 -1.09 0.97 0.00 1.11 0.00 0.00 32.58 33.45 2k2n s HIS 170 CO 0.02 -0.56 1.67 0.00 -0.85 0.00 0.00 174.74 175.02 2k2n n ALA 171 N 5.00 1.52 -2.71 -1.40 0.00 -1.26 -2.01 120.51 119.66 2k2n n ALA 171 Ca -0.10 0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2k2n n ALA 171 Cb 0.48 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 2k2n n ALA 171 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2k2n s GLU 172 N -3.33 2.62 0.31 0.00 -1.05 -1.26 -4.45 118.70 111.53 2k2n s GLU 172 Ca 0.03 -0.81 -0.29 0.00 -0.15 0.00 0.00 54.97 53.76 2k2n s GLU 172 Cb 0.08 -2.58 -0.10 0.00 -0.44 0.00 0.00 34.13 31.10 2k2n s GLU 172 CO 0.34 0.55 1.15 -1.25 0.95 0.00 0.00 175.26 176.99 2k2n s PRO 173 N -2.33 4.50 -0.29 -4.83 0.04 -1.26 -4.61 135.00 126.22 2k2n s PRO 173 Ca 0.27 1.90 -0.16 0.00 0.04 0.00 0.00 61.00 63.04 2k2n s PRO 173 Cb -0.12 -3.09 0.17 0.00 0.04 0.00 0.00 34.50 31.50 2k2n s PRO 173 CO 0.19 0.05 1.07 0.50 0.04 0.00 0.00 177.00 178.85 2k2n s ARG 174 N -1.65 0.27 0.60 4.56 3.52 -1.26 -5.12 118.95 119.87 2k2n s ARG 174 Ca 0.47 0.48 -0.13 0.00 -0.13 0.00 0.00 55.73 56.42 2k2n s ARG 174 Cb -0.33 0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.08 2k2n s ARG 174 CO 0.43 -0.06 1.02 -1.25 -0.81 0.00 0.00 175.30 174.64 2k2n s PRO 175 N 1.28 3.57 -0.12 5.12 0.04 -1.26 -4.82 135.00 138.82 2k2n s PRO 175 Ca -0.09 0.89 -0.06 0.00 0.04 0.00 0.00 61.00 61.79 2k2n s PRO 175 Cb -0.03 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2k2n s PRO 175 CO -0.13 -0.59 0.10 0.71 0.04 0.00 0.00 177.00 177.12 2k2n s TYR 176 N -2.92 3.45 0.34 0.56 2.02 -1.26 -5.09 117.35 114.45 2k2n s TYR 176 Ca 0.58 0.40 0.02 0.00 -0.37 0.00 0.00 57.07 57.69 2k2n s TYR 176 Cb -0.12 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 2k2n s TYR 176 CO 0.46 0.61 0.07 0.45 -1.57 0.00 0.00 175.55 175.57 2k2n n SER 177 N 2.18 1.83 -0.00 2.29 2.88 -1.26 -5.02 113.62 116.51 2k2n n SER 177 Ca -0.19 -2.69 0.04 0.00 -1.33 0.00 0.00 58.87 54.70 2k2n n SER 177 Cb 0.54 0.62 0.42 0.00 -0.75 0.00 0.00 64.21 65.04 2k2n n SER 177 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2k2n h GLN 178 N 0.00 0.54 -0.82 -1.46 4.20 -2.01 -1.75 115.11 113.82 2k2n h GLN 178 Ca -0.27 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.50 2k2n h GLN 178 Cb 0.95 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.55 2k2n h GLN 178 CO 0.44 0.36 0.53 0.93 -0.67 0.00 0.00 178.83 180.42 2k2n h GLU 179 N 0.56 0.75 0.00 1.46 4.39 -2.00 0.20 114.58 119.94 2k2n h GLU 179 Ca 0.15 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 2k2n h GLU 179 Cb -0.06 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.42 2k2n h GLU 179 CO -0.03 0.49 -0.11 0.93 -1.16 0.00 0.00 179.01 179.13 2k2n h GLU 180 N 0.77 0.00 0.01 2.33 3.07 -1.71 -1.92 114.58 117.13 2k2n h GLU 180 Ca 0.38 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 59.01 2k2n h GLU 180 Cb 0.43 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 2k2n h GLU 180 CO -0.15 0.11 -1.09 1.25 -1.40 0.00 0.00 179.01 177.74 2k2n h LEU 181 N 0.00 0.04 -0.53 1.33 5.85 -0.66 -3.19 115.31 118.16 2k2n h LEU 181 Ca -0.00 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2k2n h LEU 181 Cb 0.34 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2k2n h LEU 181 CO 0.01 1.04 0.21 1.56 -0.34 0.00 0.00 178.44 180.92 2k2n h GLN 182 N 0.01 0.80 0.05 1.25 7.50 -0.75 -1.31 115.11 122.66 2k2n h GLN 182 Ca -0.05 -0.15 -0.00 0.00 0.50 0.00 0.00 58.65 58.95 2k2n h GLN 182 Cb 1.81 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 29.21 2k2n h GLN 182 CO 0.13 0.70 -0.02 -0.39 -1.50 0.00 0.00 178.83 177.75 2k2n h VAL 183 N 0.72 1.31 -0.17 -0.54 -1.51 -1.63 -3.22 116.25 111.20 2k2n h VAL 183 Ca 0.18 -1.47 -0.05 0.00 -1.23 0.00 0.00 66.70 64.13 2k2n h VAL 183 Cb 0.20 2.23 -0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2k2n h VAL 183 CO -0.01 0.35 -0.10 -0.37 -1.23 0.00 0.00 177.57 176.21 2k2n h VAL 184 N -0.75 1.32 -0.90 7.19 -1.51 -1.62 -2.71 116.25 117.27 2k2n h VAL 184 Ca -0.01 -1.16 0.17 0.00 -1.23 0.00 0.00 66.70 64.47 2k2n h VAL 184 Cb 0.63 1.71 -0.07 0.00 -2.13 0.00 0.00 31.29 31.43 2k2n h VAL 184 CO 0.01 0.35 0.58 -0.61 -1.23 0.00 0.00 177.57 176.67 2k2n h GLN 185 N 0.05 0.58 0.10 5.19 5.75 -1.39 1.74 115.11 127.12 2k2n h GLN 185 Ca 0.04 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2k2n h GLN 185 Cb 0.58 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.00 2k2n h GLN 185 CO 0.03 0.38 -0.05 1.25 -2.65 0.00 0.00 178.83 177.79 2k2n h LEU 186 N 0.59 -0.11 0.17 -2.39 6.46 -1.55 -2.98 115.31 115.50 2k2n h LEU 186 Ca 0.47 -0.47 -0.31 0.00 -0.12 0.00 0.00 57.88 57.44 2k2n h LEU 186 Cb 0.89 0.03 0.03 0.00 -0.73 0.00 0.00 40.66 40.88 2k2n h LEU 186 CO -0.21 0.52 -1.34 -0.07 -0.62 0.00 0.00 178.44 176.72 2k2n h LEU 187 N -0.86 0.81 -0.39 2.25 3.38 -1.16 -3.09 115.31 116.26 2k2n h LEU 187 Ca -0.01 -0.81 -0.01 0.00 0.09 0.00 0.00 57.88 57.14 2k2n h LEU 187 Cb 0.57 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2k2n h LEU 187 CO 0.02 1.62 0.19 0.00 0.09 0.00 0.00 178.44 180.37 2k2n h ALA 188 N 0.28 0.50 -0.99 1.53 0.00 0.25 0.24 119.26 121.07 2k2n h ALA 188 Ca -0.21 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2k2n h ALA 188 Cb 2.03 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.61 2k2n h ALA 188 CO 0.25 0.06 0.66 -0.44 0.00 0.00 0.00 179.25 179.77 2k2n h ASP 189 N 0.49 1.14 0.74 0.00 3.32 -1.59 0.68 116.42 121.21 2k2n h ASP 189 Ca 0.14 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 2k2n h ASP 189 Cb 0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2k2n h ASP 189 CO -0.02 0.82 -0.18 1.56 -1.72 0.00 0.00 179.24 179.71 2k2n h GLN 190 N 1.34 0.00 0.09 3.56 1.08 -1.35 -1.34 115.11 118.50 2k2n h GLN 190 Ca 0.36 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.36 2k2n h GLN 190 Cb -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 2k2n h GLN 190 CO -0.08 0.18 -1.01 0.28 -0.95 0.00 0.00 178.83 177.25 2k2n h VAL 191 N 0.00 1.27 -0.59 -0.54 2.07 0.11 -2.70 116.25 115.87 2k2n h VAL 191 Ca -0.00 -2.41 0.07 0.00 0.82 0.00 0.00 66.70 65.17 2k2n h VAL 191 Cb 0.60 2.90 -0.04 0.00 -1.52 0.00 0.00 31.29 33.24 2k2n h VAL 191 CO 0.02 0.65 0.39 0.77 0.02 0.00 0.00 177.57 179.43 2k2n h SER 192 N -0.50 0.49 0.08 0.57 4.64 0.39 0.34 113.55 119.55 2k2n h SER 192 Ca -0.22 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.99 2k2n h SER 192 Cb 1.56 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.54 2k2n h SER 192 CO 0.05 0.31 -0.40 0.40 -0.87 0.00 0.00 176.83 176.32 2k2n h ILE 193 N 0.55 1.30 -0.32 0.95 2.04 -1.31 -1.80 117.51 118.92 2k2n h ILE 193 Ca 0.26 -1.54 -0.15 0.00 1.00 0.00 0.00 64.86 64.44 2k2n h ILE 193 Cb 0.31 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2k2n h ILE 193 CO -0.08 0.47 -0.39 0.00 0.00 0.00 0.00 178.15 178.16 2k2n h ALA 194 N 1.23 0.71 -0.72 1.87 0.00 -0.13 -0.61 119.26 121.60 2k2n h ALA 194 Ca 0.03 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 2k2n h ALA 194 Cb 0.85 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2k2n h ALA 194 CO 0.07 0.66 0.21 0.82 0.00 0.00 0.00 179.25 181.01 2k2n h ILE 195 N 0.63 1.26 -0.03 0.00 1.08 -0.40 0.20 117.51 120.25 2k2n h ILE 195 Ca 0.05 -0.93 -0.02 0.00 -0.39 0.00 0.00 64.86 63.57 2k2n h ILE 195 Cb 0.94 0.49 -0.00 0.00 -3.07 0.00 0.00 36.82 35.18 2k2n h ILE 195 CO 0.09 0.36 -0.04 0.00 -0.69 0.00 0.00 178.15 177.87 2k2n h ALA 196 N 1.10 0.05 -0.22 1.87 0.00 -1.15 -2.49 119.26 118.42 2k2n h ALA 196 Ca 0.23 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2k2n h ALA 196 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k2n h ALA 196 CO -0.00 -0.15 -0.44 -0.56 0.00 0.00 0.00 179.25 178.09 2k2n h GLN 197 N -0.40 0.56 -0.16 0.00 3.07 -1.08 -3.09 115.11 114.01 2k2n h GLN 197 Ca 0.00 -0.30 -0.11 0.00 0.09 0.00 0.00 58.65 58.33 2k2n h GLN 197 Cb 0.57 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 2k2n h GLN 197 CO 0.01 0.90 -0.36 0.00 0.09 0.00 0.00 178.83 179.46 2k2n h ALA 198 N 1.06 1.08 -0.31 0.06 0.00 -0.65 -2.97 119.26 117.52 2k2n h ALA 198 Ca 0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2k2n h ALA 198 Cb 0.96 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2k2n h ALA 198 CO 0.09 0.58 0.17 1.49 0.00 0.00 0.00 179.25 181.57 2k2n h GLU 199 N 0.30 0.42 -0.04 0.00 4.81 -1.36 -1.76 114.58 116.95 2k2n h GLU 199 Ca 0.03 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2k2n h GLU 199 Cb 0.78 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2k2n h GLU 199 CO 0.06 0.32 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.42 2k2n h LEU 200 N 0.43 0.06 -0.30 1.64 3.38 -1.58 -2.92 115.31 116.02 2k2n h LEU 200 Ca 0.11 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.14 2k2n h LEU 200 Cb 0.02 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2k2n h LEU 200 CO -0.02 0.23 -0.19 0.28 0.09 0.00 0.00 178.44 178.84 2k2n h SER 201 N 0.06 -0.63 -0.00 -0.43 0.02 -1.42 -3.53 113.55 107.62 2k2n h SER 201 Ca 0.01 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2k2n h SER 201 Cb 0.33 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2k2n h SER 201 CO 0.02 -0.23 0.00 0.18 -1.14 0.00 0.00 176.83 175.67