#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0k h GLU 3 N 0.00 1.23 -0.40 -3.83 4.81 -2.05 -1.87 114.58 112.46 1y0k h GLU 3 Ca 0.00 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1y0k h GLU 3 Cb 0.00 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 1y0k h GLU 3 CO 0.00 0.86 0.24 0.00 -0.73 0.00 0.00 179.01 179.38 1y0k h ALA 4 N 1.30 0.50 -0.03 2.92 0.00 -2.04 0.31 119.26 122.22 1y0k h ALA 4 Ca 0.32 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1y0k h ALA 4 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1y0k h ALA 4 CO -0.06 -0.09 -0.54 -0.44 0.00 0.00 0.00 179.25 178.12 1y0k h ASP 5 N 0.48 0.11 -0.30 0.00 3.32 -1.94 -0.94 116.42 117.15 1y0k h ASP 5 Ca 0.16 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1y0k h ASP 5 Cb -0.00 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1y0k h ASP 5 CO -0.07 0.62 -0.04 0.22 -1.72 0.00 0.00 179.24 178.25 1y0k h TYR 6 N 0.08 0.63 -0.55 4.55 3.20 -0.67 -0.67 116.97 123.53 1y0k h TYR 6 Ca -0.00 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.70 1y0k h TYR 6 Cb 0.97 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 1y0k h TYR 6 CO 0.01 0.73 0.15 -0.07 -1.64 0.00 0.00 178.16 177.34 1y0k h LEU 7 N 0.34 0.78 -0.61 2.82 3.38 -0.82 -1.11 115.31 120.10 1y0k h LEU 7 Ca 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1y0k h LEU 7 Cb 0.51 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1y0k h LEU 7 CO 0.02 0.75 0.39 0.03 0.09 0.00 0.00 178.44 179.73 1y0k h ARG 8 N 0.81 0.81 -0.24 1.13 3.08 -0.97 -0.03 114.38 118.97 1y0k h ARG 8 Ca 0.18 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.21 1y0k h ARG 8 Cb 0.27 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1y0k h ARG 8 CO -0.01 0.55 0.03 1.25 -1.07 0.00 0.00 179.97 180.72 1y0k h LEU 9 N 0.82 -0.04 -1.25 3.04 6.46 -0.50 -0.19 115.31 123.65 1y0k h LEU 9 Ca 0.22 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.97 1y0k h LEU 9 Cb -0.07 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1y0k h LEU 9 CO -0.05 0.01 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.65 1y0k h LEU 10 N 0.11 0.41 -0.35 2.25 3.38 -0.89 -0.92 115.31 119.29 1y0k h LEU 10 Ca 0.11 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1y0k h LEU 10 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1y0k h LEU 10 CO -0.17 0.52 0.02 0.74 0.09 0.00 0.00 178.44 179.65 1y0k h THR 11 N 0.41 1.25 -0.82 0.22 2.02 -0.54 -1.29 112.91 114.17 1y0k h THR 11 Ca 0.08 -0.92 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 1y0k h THR 11 Cb 0.38 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1y0k h THR 11 CO 0.02 0.31 0.36 0.03 0.37 0.00 0.00 175.52 176.61 1y0k h ARG 12 N 0.42 1.19 -0.39 6.66 3.08 -0.68 -0.48 114.38 124.18 1y0k h ARG 12 Ca 0.10 -0.19 0.05 0.00 0.07 0.00 0.00 59.98 60.01 1y0k h ARG 12 Cb 0.42 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 1y0k h ARG 12 CO 0.01 0.94 0.12 0.37 -1.07 0.00 0.00 179.97 180.34 1y0k h GLN 13 N 1.17 0.25 -0.60 0.04 4.15 -1.10 -0.46 115.11 118.56 1y0k h GLN 13 Ca 0.28 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1y0k h GLN 13 Cb 0.16 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 1y0k h GLN 13 CO -0.03 0.17 0.38 0.00 -1.93 0.00 0.00 178.83 177.42 1y0k h ALA 14 N 1.26 0.76 -0.67 3.38 0.00 -0.78 -2.02 119.26 121.20 1y0k h ALA 14 Ca 0.18 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1y0k h ALA 14 Cb 0.18 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1y0k h ALA 14 CO -0.20 0.22 0.39 0.93 0.00 0.00 0.00 179.25 180.59 1y0k h GLU 15 N 0.81 0.73 -0.61 0.00 5.08 -0.70 -1.68 114.58 118.21 1y0k h GLU 15 Ca 0.22 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1y0k h GLU 15 Cb -0.05 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1y0k h GLU 15 CO -0.04 0.48 0.40 1.96 -1.00 0.00 0.00 179.01 180.81 1y0k h GLN 16 N 0.75 0.80 -0.48 2.33 4.20 -0.66 0.18 115.11 122.22 1y0k h GLN 16 Ca 0.28 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1y0k h GLN 16 Cb 0.11 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1y0k h GLN 16 CO -0.15 0.53 0.25 0.00 -0.67 0.00 0.00 178.83 178.80 1y0k h ALA 17 N 1.22 0.62 -0.65 3.87 0.00 -1.06 -1.99 119.26 121.27 1y0k h ALA 17 Ca 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1y0k h ALA 17 Cb -0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1y0k h ALA 17 CO -0.05 0.16 0.34 -0.91 0.00 0.00 0.00 179.25 178.80 1y0k h ASN 18 N 0.64 0.82 -0.73 0.00 2.35 -0.90 -1.33 115.58 116.43 1y0k h ASN 18 Ca 0.17 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1y0k h ASN 18 Cb 0.08 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 1y0k h ASN 18 CO -0.02 0.69 0.47 0.44 -1.65 0.00 0.00 177.43 177.36 1y0k h ASP 19 N 0.89 0.79 -0.09 5.81 3.32 -0.77 -0.67 116.42 125.69 1y0k h ASP 19 Ca 0.23 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1y0k h ASP 19 Cb 0.06 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1y0k h ASP 19 CO -0.03 0.56 0.04 0.15 -1.72 0.00 0.00 179.24 178.23 1y0k h PHE 20 N 0.94 0.13 -0.70 4.55 3.57 -1.11 -3.20 116.94 121.12 1y0k h PHE 20 Ca 0.29 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 1y0k h PHE 20 Cb -0.03 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1y0k h PHE 20 CO -0.03 0.21 0.19 -0.07 -2.23 0.00 0.00 178.31 176.38 1y0k h LEU 21 N 0.01 1.04 -1.84 0.59 3.38 -0.87 -1.76 115.31 115.86 1y0k h LEU 21 Ca 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1y0k h LEU 21 Cb 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1y0k h LEU 21 CO -0.00 0.99 0.00 0.77 0.09 0.00 0.00 178.44 180.28 1y0k h SER 22 N 1.05 0.00 -0.00 -0.43 4.64 -1.17 -2.89 113.55 114.76 1y0k h SER 22 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1y0k h SER 22 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1y0k h SER 22 CO -0.00 0.00 -0.43 0.59 -0.87 0.00 0.00 176.83 176.12 1y0k n ASN 23 N -3.00 0.80 -4.84 4.97 5.03 -0.98 -5.02 115.26 112.21 1y0k n ASN 23 Ca -0.00 -0.90 -0.32 0.00 0.87 0.00 0.00 54.58 54.23 1y0k n ASN 23 Cb 0.22 0.82 -0.02 0.00 -1.02 0.00 0.00 39.78 39.78 1y0k n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1y0k s ALA 24 N -1.86 3.04 0.58 5.41 0.00 -0.70 -5.06 121.76 123.17 1y0k s ALA 24 Ca 0.06 0.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.04 1y0k s ALA 24 Cb 0.09 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1y0k s ALA 24 CO 0.40 -0.34 1.03 1.03 0.00 0.00 0.00 175.76 177.88 1y0k s ARG 25 N -4.20 3.51 0.08 0.00 0.52 -1.26 -4.86 118.95 112.73 1y0k s ARG 25 Ca 0.59 1.05 -0.34 0.00 -0.52 0.00 0.00 55.73 56.51 1y0k s ARG 25 Cb -0.11 -2.07 -0.17 0.00 0.52 0.00 0.00 34.95 33.13 1y0k s ARG 25 CO 0.35 -0.64 1.60 -0.22 0.02 0.00 0.00 175.30 176.40 1y0k h LYS 26 N 0.38 -0.92 -0.40 3.54 3.64 -1.97 0.17 116.57 121.01 1y0k h LYS 26 Ca -0.46 0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 58.85 1y0k h LYS 26 Cb 1.20 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 1y0k h LYS 26 CO 0.59 -0.62 -0.28 2.35 -2.27 0.00 0.00 179.45 179.23 1y0k h TRP 27 N -0.96 0.99 -0.74 1.91 7.01 -1.99 -2.09 115.95 120.08 1y0k h TRP 27 Ca -0.07 -0.25 0.04 0.00 2.11 0.00 0.00 58.89 60.71 1y0k h TRP 27 Cb 0.79 -0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 27.57 1y0k h TRP 27 CO -0.12 1.03 0.46 0.22 -2.79 0.00 0.00 178.44 177.23 1y0k h ASP 28 N 0.73 0.74 -0.35 2.65 3.58 -1.93 0.15 116.42 121.99 1y0k h ASP 28 Ca 0.09 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.58 1y0k h ASP 28 Cb 0.83 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.68 1y0k h ASP 28 CO 0.07 0.51 0.14 -0.09 -2.88 0.00 0.00 179.24 176.98 1y0k h ARG 29 N 0.88 0.28 -0.43 0.28 2.43 -0.43 0.14 114.38 117.54 1y0k h ARG 29 Ca 0.30 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 1y0k h ARG 29 Cb 0.05 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1y0k h ARG 29 CO -0.12 0.19 -0.03 0.93 -1.51 0.00 0.00 179.97 179.43 1y0k h GLU 30 N 0.29 0.78 -0.78 0.20 5.08 -0.80 -1.90 114.58 117.45 1y0k h GLU 30 Ca 0.15 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1y0k h GLU 30 Cb 0.11 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1y0k h GLU 30 CO -0.15 0.86 0.29 -0.09 -1.00 0.00 0.00 179.01 178.93 1y0k h ARG 31 N 0.61 1.17 -0.58 2.33 2.43 -0.56 -2.30 114.38 117.48 1y0k h ARG 31 Ca 0.12 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1y0k h ARG 31 Cb 0.53 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 1y0k h ARG 31 CO 0.03 0.97 0.36 2.35 -1.51 0.00 0.00 179.97 182.16 1y0k h TRP 32 N 1.14 0.67 -0.34 2.20 7.01 -0.49 0.84 115.95 126.97 1y0k h TRP 32 Ca 0.26 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.30 1y0k h TRP 32 Cb 0.25 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 1y0k h TRP 32 CO 0.02 0.39 0.18 0.28 -2.79 0.00 0.00 178.44 176.52 1y0k h VAL 33 N 0.71 1.00 -0.53 2.65 2.07 -1.04 -0.96 116.25 120.16 1y0k h VAL 33 Ca 0.23 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.66 1y0k h VAL 33 Cb 0.00 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1y0k h VAL 33 CO -0.09 0.07 0.30 0.00 0.02 0.00 0.00 177.57 177.87 1y0k h GLN 35 N 0.59 0.67 -0.93 0.00 4.20 -0.36 -0.70 115.11 118.59 1y0k h GLN 35 Ca 0.22 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.88 1y0k h GLN 35 Cb 0.07 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 1y0k h GLN 35 CO -0.12 0.48 0.61 0.00 -0.67 0.00 0.00 178.83 179.13 1y0k h ARG 36 N 0.67 1.23 -0.18 1.46 2.47 -0.84 -0.13 114.38 119.06 1y0k h ARG 36 Ca 0.18 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.80 1y0k h ARG 36 Cb -0.03 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.01 1y0k h ARG 36 CO -0.04 0.82 0.03 0.35 0.56 0.00 0.00 179.97 181.70 1y0k h PHE 37 N 1.26 0.31 -0.81 3.04 3.57 -0.88 -0.79 116.94 122.64 1y0k h PHE 37 Ca 0.34 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 1y0k h PHE 37 Cb -0.14 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 1y0k h PHE 37 CO -0.01 0.44 0.35 -0.07 -2.23 0.00 0.00 178.31 176.79 1y0k h LEU 38 N 0.09 1.10 -0.91 0.59 3.38 -0.86 -1.91 115.31 116.79 1y0k h LEU 38 Ca 0.05 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1y0k h LEU 38 Cb 0.29 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1y0k h LEU 38 CO 0.00 0.96 0.56 -0.33 0.09 0.00 0.00 178.44 179.73 1y0k h GLU 39 N 1.17 1.23 -0.77 1.13 5.08 -0.92 -0.22 114.58 121.29 1y0k h GLU 39 Ca 0.27 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1y0k h GLU 39 Cb 0.18 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1y0k h GLU 39 CO -0.03 0.85 0.51 0.00 -1.00 0.00 0.00 179.01 179.34 1y0k h ALA 40 N 1.31 1.54 -0.16 3.43 0.00 -0.50 -2.43 119.26 122.45 1y0k h ALA 40 Ca 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1y0k h ALA 40 Cb -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1y0k h ALA 40 CO -0.06 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.85 1y0k n LEU 41 N -4.45 2.13 -3.63 0.00 4.77 -0.78 -4.95 117.00 110.09 1y0k n LEU 41 Ca 0.10 -0.84 -0.26 0.00 -0.03 0.00 0.00 56.01 54.98 1y0k n LEU 41 Cb 0.11 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1y0k n LEU 41 CO 0.35 0.42 0.14 0.59 -1.33 0.00 0.00 177.39 177.55 1y0k n ASN 42 N 0.63 -5.55 -4.56 -1.43 3.02 -0.49 -4.97 115.26 101.91 1y0k n ASN 42 Ca 0.17 -0.59 -0.40 0.00 -0.03 0.00 0.00 54.58 53.73 1y0k n ASN 42 Cb 0.42 -4.41 -0.10 0.00 -0.61 0.00 0.00 39.78 35.08 1y0k n ASN 42 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1y0k s VAL 43 N -3.26 5.19 0.50 2.41 1.01 -0.21 -5.03 120.40 121.01 1y0k s VAL 43 Ca 0.57 0.12 -0.23 0.00 0.00 0.00 0.00 61.98 62.44 1y0k s VAL 43 Cb -0.27 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1y0k s VAL 43 CO 0.70 -0.01 1.32 -2.16 0.00 0.00 0.00 175.10 174.95 1y0k s PRO 44 N 1.97 3.44 0.06 2.72 0.04 -1.26 -4.55 135.00 137.41 1y0k s PRO 44 Ca 0.11 2.14 -0.16 0.00 0.04 0.00 0.00 61.00 63.14 1y0k s PRO 44 Cb -0.16 -2.39 0.03 0.00 0.04 0.00 0.00 34.50 32.01 1y0k s PRO 44 CO 0.11 -0.92 0.36 1.52 0.04 0.00 0.00 177.00 178.11 1y0k s TYR 45 N -1.34 -0.17 0.22 0.56 -0.85 -1.26 -5.13 117.35 109.37 1y0k s TYR 45 Ca 0.67 0.04 0.09 0.00 -0.52 0.00 0.00 57.07 57.35 1y0k s TYR 45 Cb -0.38 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.08 1y0k s TYR 45 CO 0.46 -0.56 -0.04 1.03 -1.52 0.00 0.00 175.55 174.91 1y0k s ARG 46 N -2.75 2.20 0.36 -3.49 0.52 -1.26 -5.04 118.95 109.49 1y0k s ARG 46 Ca -0.04 -1.33 0.04 0.00 -0.52 0.00 0.00 55.73 53.88 1y0k s ARG 46 Cb -0.00 -2.17 0.70 0.00 0.52 0.00 0.00 34.95 33.99 1y0k s ARG 46 CO -0.04 0.40 1.97 0.37 0.02 0.00 0.00 175.30 178.02 1y0k h GLN 47 N 2.39 0.78 0.00 3.54 5.75 -2.01 -0.95 115.11 124.60 1y0k h GLN 47 Ca -0.45 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1y0k h GLN 47 Cb 1.23 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.60 1y0k h GLN 47 CO 0.58 0.52 0.00 1.05 -2.65 0.00 0.00 178.83 178.32 1y0k h GLU 48 N 0.80 0.00 0.00 1.69 9.09 -2.04 -3.03 114.58 121.09 1y0k h GLU 48 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.70 1y0k h GLU 48 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 1y0k h GLU 48 CO -0.09 0.00 0.00 -0.44 0.05 0.00 0.00 179.01 178.53 1y0k h ASP 49 N 0.00 0.00 -3.16 3.06 3.32 -1.56 -3.43 116.42 114.66 1y0k h ASP 49 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1y0k h ASP 49 Cb 0.20 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 1y0k h ASP 49 CO 0.00 0.00 -0.18 -0.36 -1.72 0.00 0.00 179.24 176.98 1y0k s PHE 50 N -3.70 3.64 0.04 4.55 0.40 -1.15 -4.34 117.98 117.43 1y0k s PHE 50 Ca 0.01 0.95 -0.06 0.00 -0.60 0.00 0.00 56.93 57.22 1y0k s PHE 50 Cb 0.09 -2.39 -0.01 0.00 0.51 0.00 0.00 43.02 41.22 1y0k s PHE 50 CO 0.51 0.45 0.11 0.00 0.70 0.00 0.00 175.22 176.99 1y0k s ALA 51 N -0.39 -0.08 0.00 5.36 0.00 -0.88 -4.98 121.76 120.80 1y0k s ALA 51 Ca 0.24 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 1y0k s ALA 51 Cb -0.16 0.27 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 1y0k s ALA 51 CO 0.12 -0.34 0.38 0.00 0.00 0.00 0.00 175.76 175.91 1y0k s ALA 52 N -2.78 3.73 0.82 0.00 0.00 -1.26 0.01 121.76 122.28 1y0k s ALA 52 Ca -0.03 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 1y0k s ALA 52 Cb -0.00 -2.31 0.08 0.00 0.00 0.00 0.00 23.12 20.89 1y0k s ALA 52 CO -0.05 0.52 1.15 -1.25 0.00 0.00 0.00 175.76 176.12 1y0k s PRO 53 N -1.26 1.89 0.13 0.00 0.04 -1.26 -4.93 135.00 129.61 1y0k s PRO 53 Ca 0.25 0.26 -0.16 0.00 0.04 0.00 0.00 61.00 61.39 1y0k s PRO 53 Cb -0.16 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1y0k s PRO 53 CO 0.13 -1.68 1.69 0.78 0.04 0.00 0.00 177.00 177.97 1y0k h GLY 54 N -1.12 0.62 -4.86 0.56 0.00 -1.97 -3.43 103.07 92.87 1y0k h GLY 54 Ca -0.47 -0.33 -0.64 0.00 0.00 0.00 0.00 47.33 45.89 1y0k h GLY 54 CO 0.64 0.31 -0.87 -0.54 0.00 0.00 0.00 176.54 176.08 1y0k s GLU 55 N -5.60 1.98 0.09 4.80 0.41 -1.26 -5.13 118.70 113.98 1y0k s GLU 55 Ca -0.13 -0.80 -0.20 0.00 -0.41 0.00 0.00 54.97 53.43 1y0k s GLU 55 Cb 0.10 -1.82 -0.07 0.00 -1.78 0.00 0.00 34.13 30.56 1y0k s GLU 55 CO 0.75 0.43 0.59 -0.65 -0.49 0.00 0.00 175.26 175.89 1y0k s GLN 56 N -0.37 4.23 0.68 1.61 -0.21 -1.26 -3.95 119.66 120.40 1y0k s GLN 56 Ca 0.04 0.78 -0.11 0.00 0.02 0.00 0.00 55.36 56.09 1y0k s GLN 56 Cb -0.10 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.68 1y0k s GLN 56 CO 0.01 0.63 1.08 -1.25 -2.12 0.00 0.00 175.29 173.63 1y0k s PRO 57 N -1.15 3.01 0.00 2.91 0.04 -1.26 -5.10 135.00 133.45 1y0k s PRO 57 Ca 0.30 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1y0k s PRO 57 Cb -0.20 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1y0k s PRO 57 CO 0.20 -0.93 0.00 -0.35 0.04 0.00 0.00 177.00 175.96 1y0k n PRO 58 N -2.94 1.58 -0.10 0.56 -0.04 -1.25 -5.06 135.00 127.75 1y0k n PRO 58 Ca 0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 1y0k n PRO 58 Cb 0.57 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.94 1y0k n PRO 58 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1y0k n ASP 59 N 0.00 2.11 -3.83 3.54 8.00 -0.04 -4.71 116.55 121.63 1y0k n ASP 59 Ca 0.00 0.03 -0.22 0.00 0.71 0.00 0.00 54.79 55.31 1y0k n ASP 59 Cb 0.00 -0.41 -0.17 0.00 -0.02 0.00 0.00 41.12 40.52 1y0k n ASP 59 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1y0k s VAL 60 N -2.38 0.51 -0.04 2.53 1.01 -0.57 -4.36 120.40 117.10 1y0k s VAL 60 Ca -0.27 -0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 1y0k s VAL 60 Cb 0.08 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1y0k s VAL 60 CO 0.41 0.26 0.49 -0.76 0.00 0.00 0.00 175.10 175.50 1y0k s LEU 61 N 1.57 4.39 -0.21 3.92 1.43 0.10 -0.20 118.68 129.68 1y0k s LEU 61 Ca -0.01 0.98 -0.04 0.00 -1.03 0.00 0.00 54.13 54.03 1y0k s LEU 61 Cb -0.13 -2.73 0.11 0.00 0.03 0.00 0.00 46.19 43.47 1y0k s LEU 61 CO -0.04 0.14 0.34 0.12 0.23 0.00 0.00 176.35 177.14 1y0k s PHE 62 N -0.21 -0.66 -1.38 0.29 5.36 -0.81 -2.06 117.98 118.50 1y0k s PHE 62 Ca 0.27 0.86 -0.18 0.00 -0.96 0.00 0.00 56.93 56.92 1y0k s PHE 62 Cb -0.17 -0.01 0.02 0.00 -0.34 0.00 0.00 43.02 42.53 1y0k s PHE 62 CO 0.13 -0.60 0.33 1.63 -1.46 0.00 0.00 175.22 175.26 1y0k n LYS 63 N 5.36 -0.57 0.00 10.12 5.02 -1.26 -0.33 118.16 136.50 1y0k n LYS 63 Ca -0.05 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1y0k n LYS 63 Cb 0.50 -3.00 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 1y0k n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y0k n GLY 64 N -2.35 3.22 3.77 0.72 0.00 -1.26 -4.91 105.19 104.38 1y0k n GLY 64 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1y0k n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0k s ALA 65 N -2.13 3.20 -0.61 4.61 0.00 0.55 -4.79 121.76 122.59 1y0k s ALA 65 Ca 0.00 0.73 0.04 0.00 0.00 0.00 0.00 51.96 52.73 1y0k s ALA 65 Cb 0.00 -3.27 0.15 0.00 0.00 0.00 0.00 23.12 20.00 1y0k s ALA 65 CO 0.00 -0.13 0.37 0.20 0.00 0.00 0.00 175.76 176.20 1y0k s GLY 66 N -1.37 2.66 -0.26 0.00 0.00 -1.26 -1.93 107.32 105.16 1y0k s GLY 66 Ca 0.52 -3.51 -0.29 0.00 0.00 0.00 0.00 44.72 41.44 1y0k s GLY 66 CO 0.31 1.05 1.17 -1.36 0.00 0.00 0.00 173.10 174.26 1y0k s PHE 67 N -0.77 3.00 -0.47 1.90 0.08 0.72 -1.07 117.98 121.38 1y0k s PHE 67 Ca 0.20 1.12 -0.15 0.00 0.12 0.00 0.00 56.93 58.22 1y0k s PHE 67 Cb -0.17 -3.62 0.07 0.00 -0.57 0.00 0.00 43.02 38.73 1y0k s PHE 67 CO -0.07 -1.17 0.38 -2.00 -0.10 0.00 0.00 175.22 172.26 1y0k s GLU 68 N 3.66 2.95 -0.19 0.44 2.56 -0.35 -0.86 118.70 126.92 1y0k s GLU 68 Ca 0.50 -1.34 -0.11 0.00 0.00 0.00 0.00 54.97 54.01 1y0k s GLU 68 Cb -0.16 -4.10 -0.05 0.00 2.00 0.00 0.00 34.13 31.82 1y0k s GLU 68 CO 0.15 -1.01 0.19 0.08 -0.56 0.00 0.00 175.26 174.11 1y0k s VAL 69 N 1.63 5.38 0.08 3.70 1.01 -1.26 -1.23 120.40 129.70 1y0k s VAL 69 Ca 0.04 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1y0k s VAL 69 Cb -0.24 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1y0k s VAL 69 CO 0.06 0.43 -0.04 0.72 0.00 0.00 0.00 175.10 176.27 1y0k s PHE 70 N 0.38 0.72 -0.12 5.22 -0.12 -0.62 -4.98 117.98 118.45 1y0k s PHE 70 Ca 0.11 -1.02 0.01 0.00 -0.05 0.00 0.00 56.93 55.97 1y0k s PHE 70 Cb -0.12 -0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 41.80 1y0k s PHE 70 CO 0.00 -0.30 -0.13 -0.06 -0.05 0.00 0.00 175.22 174.68 1y0k s PHE 71 N -3.81 2.79 -0.44 3.49 0.40 -1.26 -0.65 117.98 118.49 1y0k s PHE 71 Ca 0.11 -0.57 0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1y0k s PHE 71 Cb 0.07 -1.81 0.12 0.00 0.51 0.00 0.00 43.02 41.91 1y0k s PHE 71 CO -0.06 -0.15 0.20 0.08 0.70 0.00 0.00 175.22 175.99 1y0k s VAL 72 N 0.17 2.85 0.51 -0.44 1.01 -0.10 -4.95 120.40 119.45 1y0k s VAL 72 Ca -0.07 -2.58 0.01 0.00 0.00 0.00 0.00 61.98 59.34 1y0k s VAL 72 Cb -0.15 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1y0k s VAL 72 CO 0.05 -0.71 0.01 -0.76 0.00 0.00 0.00 175.10 173.68 1y0k s LEU 73 N 0.56 2.25 0.00 3.92 1.43 -1.26 -1.57 118.68 124.00 1y0k s LEU 73 Ca 0.12 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.55 1y0k s LEU 73 Cb -0.22 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.30 1y0k s LEU 73 CO -0.05 -0.88 0.35 -0.90 0.23 0.00 0.00 176.35 175.11 1y0k n ASP 74 N -1.28 0.29 0.00 2.29 5.68 -1.25 -4.97 116.55 117.31 1y0k n ASP 74 Ca -0.20 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 1y0k n ASP 74 Cb 0.67 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 1y0k n ASP 74 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1y0k n GLU 75 N -0.05 0.00 -1.89 0.11 2.13 -1.26 -4.95 120.64 114.73 1y0k n GLU 75 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1y0k n GLU 75 Cb 0.33 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.01 1y0k n GLU 75 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1y0k s ARG 105 N 0.00 4.04 0.53 5.31 0.52 -1.26 -5.06 118.95 123.03 1y0k s ARG 105 Ca 0.00 2.24 -0.20 0.00 -0.52 0.00 0.00 55.73 57.25 1y0k s ARG 105 Cb 0.00 -4.07 -0.06 0.00 0.52 0.00 0.00 34.95 31.33 1y0k s ARG 105 CO 0.00 -1.03 1.12 -1.25 0.02 0.00 0.00 175.30 174.16 1y0k s PRO 106 N 4.42 3.45 0.03 3.54 0.04 -1.26 -5.00 135.00 140.21 1y0k s PRO 106 Ca 0.80 1.59 0.03 0.00 0.04 0.00 0.00 61.00 63.46 1y0k s PRO 106 Cb -0.35 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1y0k s PRO 106 CO 0.34 -0.77 -0.04 -1.14 0.04 0.00 0.00 177.00 175.42 1y0k s GLN 107 N -3.23 2.56 -0.07 4.56 0.74 -0.61 -4.91 119.66 118.70 1y0k s GLN 107 Ca 0.71 -0.74 -0.27 0.00 0.05 0.00 0.00 55.36 55.11 1y0k s GLN 107 Cb -0.23 -2.53 -0.03 0.00 1.10 0.00 0.00 33.01 31.32 1y0k s GLN 107 CO 0.27 0.59 0.85 1.03 -0.55 0.00 0.00 175.29 177.47 1y0k s ARG 108 N -1.66 4.45 -0.13 1.67 0.52 -1.26 -0.64 118.95 121.89 1y0k s ARG 108 Ca 0.19 1.13 -0.02 0.00 -0.52 0.00 0.00 55.73 56.52 1y0k s ARG 108 Cb -0.11 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 1y0k s ARG 108 CO 0.10 -0.09 -0.08 -1.50 0.02 0.00 0.00 175.30 173.75 1y0k s ILE 109 N 1.26 3.51 0.67 1.52 2.07 0.29 -4.80 121.20 125.73 1y0k s ILE 109 Ca 0.43 -0.50 -0.17 0.00 -1.41 0.00 0.00 60.65 59.00 1y0k s ILE 109 Cb -0.19 -2.50 -0.00 0.00 0.13 0.00 0.00 42.46 39.90 1y0k s ILE 109 CO 0.20 0.52 1.22 0.00 -1.91 0.00 0.00 174.94 174.97 1y0k n ALA 110 N 3.37 0.76 -0.28 1.50 0.00 -1.26 0.08 120.51 124.67 1y0k n ALA 110 Ca -0.18 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.27 1y0k n ALA 110 Cb 0.53 -2.27 0.30 0.00 0.00 0.00 0.00 19.45 18.00 1y0k n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y0k h ALA 111 N 0.25 1.64 -0.32 0.00 0.00 -1.81 0.00 119.26 119.03 1y0k h ALA 111 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1y0k h ALA 111 Cb 1.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1y0k h ALA 111 CO 0.51 0.17 0.21 0.00 0.00 0.00 0.00 179.25 180.14 1y0k h ALA 112 N 1.56 0.41 -0.30 0.00 0.00 -1.91 0.36 119.26 119.38 1y0k h ALA 112 Ca 0.42 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 1y0k h ALA 112 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1y0k h ALA 112 CO -0.18 -0.13 -0.38 0.93 0.00 0.00 0.00 179.25 179.49 1y0k h GLU 113 N 0.43 0.71 -0.09 0.00 3.07 -1.66 -1.52 114.58 115.52 1y0k h GLU 113 Ca 0.12 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1y0k h GLU 113 Cb -0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1y0k h GLU 113 CO -0.03 0.97 0.06 1.25 -1.40 0.00 0.00 179.01 179.86 1y0k h LEU 114 N 0.59 0.10 -1.48 1.33 5.85 -0.79 -2.51 115.31 118.40 1y0k h LEU 114 Ca 0.05 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1y0k h LEU 114 Cb 0.91 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1y0k h LEU 114 CO 0.08 0.09 0.25 -0.61 -0.34 0.00 0.00 178.44 177.91 1y0k h GLN 115 N 0.11 0.60 0.00 1.25 4.15 -0.82 -2.00 115.11 118.40 1y0k h GLN 115 Ca 0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1y0k h GLN 115 Cb 0.00 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.56 1y0k h GLN 115 CO -0.01 0.44 -0.06 0.00 -1.93 0.00 0.00 178.83 177.27 1y0k h ALA 116 N 1.66 1.04 0.00 3.38 0.00 -0.86 -2.70 119.26 121.78 1y0k h ALA 116 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1y0k h ALA 116 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1y0k h ALA 116 CO -0.03 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1y0k h ARG 117 N 0.00 0.00 0.00 0.00 2.47 -1.01 -1.85 114.38 113.99 1y0k h ARG 117 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1y0k h ARG 117 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1y0k h ARG 117 CO 0.01 0.00 0.00 -0.07 0.56 0.00 0.00 179.97 180.47 1y0k h LEU 118 N 0.00 0.00 -0.17 3.04 4.07 -1.63 -3.40 115.31 117.23 1y0k h LEU 118 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1y0k h LEU 118 Cb 0.14 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1y0k h LEU 118 CO 0.00 0.00 0.06 0.00 -1.08 0.00 0.00 178.44 177.42 1y0k h ALA 119 N 2.42 0.22 -0.45 1.53 0.00 -1.52 -1.76 119.26 119.71 1y0k h ALA 119 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1y0k h ALA 119 Cb 0.74 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1y0k h ALA 119 CO 0.00 -0.17 0.06 -1.35 0.00 0.00 0.00 179.25 177.79 1y0k h PRO 120 N 0.11 0.18 -0.26 0.00 0.11 -1.79 0.94 132.00 131.29 1y0k h PRO 120 Ca 0.06 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.06 1y0k h PRO 120 Cb 0.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1y0k h PRO 120 CO -0.00 0.12 -0.21 1.15 -0.21 0.00 0.00 178.00 178.85 1y0k h THR 121 N 0.18 1.31 -0.84 -1.15 2.02 -1.84 -2.53 112.91 110.06 1y0k h THR 121 Ca 0.22 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 1y0k h THR 121 Cb 0.30 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 1y0k h THR 121 CO -0.31 0.42 0.52 -0.07 0.37 0.00 0.00 175.52 176.45 1y0k h LEU 122 N 0.32 0.99 -0.52 2.58 3.38 -0.94 -0.42 115.31 120.70 1y0k h LEU 122 Ca 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1y0k h LEU 122 Cb 0.75 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1y0k h LEU 122 CO 0.05 0.75 0.27 0.03 0.09 0.00 0.00 178.44 179.63 1y0k h ARG 123 N 1.15 0.73 -0.32 1.13 3.08 -0.75 -0.18 114.38 119.23 1y0k h ARG 123 Ca 0.30 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 1y0k h ARG 123 Cb -0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1y0k h ARG 123 CO -0.06 0.59 0.09 0.87 -1.07 0.00 0.00 179.97 180.39 1y0k h LYS 124 N 0.69 0.50 0.02 0.04 1.57 -1.00 -1.43 116.57 116.96 1y0k h LYS 124 Ca 0.18 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1y0k h LYS 124 Cb 0.08 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1y0k h LYS 124 CO -0.03 0.55 -0.01 0.87 -0.57 0.00 0.00 179.45 180.26 1y0k h LYS 125 N 0.35 -0.03 -0.64 3.15 1.57 -0.99 0.07 116.57 120.06 1y0k h LYS 125 Ca 0.10 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.98 1y0k h LYS 125 Cb 0.26 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 1y0k h LYS 125 CO -0.00 0.04 0.24 0.00 -0.57 0.00 0.00 179.45 179.16 1y0k h ALA 126 N 0.89 0.83 0.47 3.86 0.00 -0.96 0.10 119.26 124.46 1y0k h ALA 126 Ca -0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1y0k h ALA 126 Cb 0.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1y0k h ALA 126 CO 0.01 -0.19 -0.23 1.25 0.00 0.00 0.00 179.25 180.09 1y0k h HIS 127 N 0.42 -0.58 -0.61 0.00 -0.00 -1.07 -0.60 115.15 112.70 1y0k h HIS 127 Ca 0.32 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.76 1y0k h HIS 127 Cb 0.41 0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.96 1y0k h HIS 127 CO -0.17 -0.33 0.28 -0.97 -0.00 0.00 0.00 177.93 176.75 1y0k h ASN 128 N -0.71 0.36 -0.12 3.26 -1.24 -0.58 -0.54 115.58 116.01 1y0k h ASN 128 Ca -0.06 0.05 -0.14 0.00 0.71 0.00 0.00 56.30 56.86 1y0k h ASN 128 Cb 0.52 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 1y0k h ASN 128 CO 0.11 0.23 -0.41 1.88 -1.29 0.00 0.00 177.43 177.94 1y0k h TYR 129 N 0.51 0.79 -0.68 0.67 0.05 -0.79 -2.46 116.97 115.06 1y0k h TYR 129 Ca 0.29 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1y0k h TYR 129 Cb 0.28 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 1y0k h TYR 129 CO -0.12 0.96 0.38 0.77 -1.05 0.00 0.00 178.16 179.09 1y0k h SER 130 N 0.54 0.84 0.20 3.88 0.02 -0.55 0.08 113.55 118.56 1y0k h SER 130 Ca 0.04 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1y0k h SER 130 Cb 0.94 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1y0k h SER 130 CO 0.08 0.69 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.93 1y0k h GLU 131 N 0.93 0.01 -0.01 3.45 4.39 -0.95 -2.65 114.58 119.75 1y0k h GLU 131 Ca 0.24 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1y0k h GLU 131 Cb 0.03 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1y0k h GLU 131 CO -0.04 0.22 -0.43 0.54 -1.16 0.00 0.00 179.01 178.13 1y0k n ARG 132 N -4.29 0.53 -2.02 2.33 1.74 -0.94 -4.96 116.66 109.06 1y0k n ARG 132 Ca -0.02 -0.35 -0.05 0.00 -0.77 0.00 0.00 57.85 56.65 1y0k n ARG 132 Cb 0.27 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1y0k n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y0k n GLY 133 N 1.42 0.20 3.76 -0.13 0.00 -0.61 -5.03 105.19 104.80 1y0k n GLY 133 Ca 0.09 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1y0k n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y0k s ILE 134 N -2.26 4.00 -0.77 -0.61 1.01 -0.08 -4.99 121.20 117.49 1y0k s ILE 134 Ca 0.00 1.89 -0.25 0.00 0.00 0.00 0.00 60.65 62.29 1y0k s ILE 134 Cb 0.00 -4.15 0.05 0.00 0.01 0.00 0.00 42.46 38.37 1y0k s ILE 134 CO 0.00 0.36 1.20 -0.62 0.00 0.00 0.00 174.94 175.88 1y0k s ASP 135 N -1.27 6.25 0.47 3.58 -1.08 -1.26 -4.65 116.67 118.71 1y0k s ASP 135 Ca 0.45 -0.87 0.21 0.00 -0.52 0.00 0.00 52.55 51.82 1y0k s ASP 135 Cb -0.25 -2.51 1.22 0.00 -1.46 0.00 0.00 42.92 39.92 1y0k s ASP 135 CO 0.31 -1.62 1.92 0.45 0.52 0.00 0.00 175.17 176.75 1y0k h HIS 136 N 9.78 0.29 0.00 -5.34 3.86 -1.91 -2.47 115.15 119.36 1y0k h HIS 136 Ca -0.18 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1y0k h HIS 136 Cb 1.05 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.43 1y0k h HIS 136 CO 1.11 0.10 0.00 0.41 0.86 0.00 0.00 177.93 180.40 1y0k n GLY 137 N -1.58 -0.61 0.78 2.45 0.00 -1.04 -1.88 105.19 103.30 1y0k n GLY 137 Ca 0.15 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1y0k n GLY 137 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y0k n GLU 138 N -1.06 1.84 -4.33 1.61 -0.58 -0.93 -4.15 120.64 113.05 1y0k n GLU 138 Ca 0.12 -1.79 -0.34 0.00 -0.42 0.00 0.00 57.16 54.73 1y0k n GLU 138 Cb 0.08 -1.35 -0.11 0.00 -0.57 0.00 0.00 31.44 29.48 1y0k n GLU 138 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1y0k s LEU 139 N -1.28 3.44 -0.49 -4.62 1.43 -0.79 -4.52 118.68 111.85 1y0k s LEU 139 Ca 0.25 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 1y0k s LEU 139 Cb 0.16 -1.82 0.12 0.00 0.03 0.00 0.00 46.19 44.67 1y0k s LEU 139 CO 0.22 0.23 0.39 -1.81 0.23 0.00 0.00 176.35 175.61 1y0k s ASP 140 N 0.03 5.87 0.24 2.29 1.01 -0.23 -1.00 116.67 124.89 1y0k s ASP 140 Ca 0.02 -1.80 -0.30 0.00 0.71 0.00 0.00 52.55 51.19 1y0k s ASP 140 Cb -0.13 -2.08 -0.09 0.00 1.01 0.00 0.00 42.92 41.63 1y0k s ASP 140 CO 0.02 -0.73 1.08 -0.76 0.21 0.00 0.00 175.17 175.00 1y0k s LEU 141 N 1.46 4.54 -0.18 1.23 2.01 -0.04 -1.21 118.68 126.49 1y0k s LEU 141 Ca 0.04 2.17 -0.04 0.00 0.01 0.00 0.00 54.13 56.31 1y0k s LEU 141 Cb -0.27 -3.62 0.06 0.00 0.01 0.00 0.00 46.19 42.38 1y0k s LEU 141 CO 0.01 -0.13 0.07 -0.22 1.01 0.00 0.00 176.35 177.09 1y0k s LEU 142 N -1.03 0.68 -0.17 1.79 2.96 -0.37 -0.80 118.68 121.74 1y0k s LEU 142 Ca 0.46 -0.71 -0.14 0.00 -0.22 0.00 0.00 54.13 53.52 1y0k s LEU 142 Cb -0.30 -0.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 1y0k s LEU 142 CO 0.38 -0.33 0.32 0.00 -1.32 0.00 0.00 176.35 175.39 1y0k s ALA 143 N 2.03 3.58 -0.38 5.97 0.00 -0.16 -1.60 121.76 131.20 1y0k s ALA 143 Ca 0.01 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.31 1y0k s ALA 143 Cb -0.16 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 20.51 1y0k s ALA 143 CO -0.09 0.00 0.53 0.12 0.00 0.00 0.00 175.76 176.32 1y0k s PHE 144 N 0.66 3.15 -0.24 0.00 5.36 0.17 -0.68 117.98 126.41 1y0k s PHE 144 Ca 0.17 0.04 -0.06 0.00 -0.96 0.00 0.00 56.93 56.13 1y0k s PHE 144 Cb -0.13 -3.02 -0.02 0.00 -0.34 0.00 0.00 43.02 39.51 1y0k s PHE 144 CO 0.05 -0.64 0.03 0.08 -1.46 0.00 0.00 175.22 173.28 1y0k s VAL 145 N 2.45 3.95 -0.27 3.12 1.01 0.42 -0.92 120.40 130.16 1y0k s VAL 145 Ca 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1y0k s VAL 145 Cb -0.15 -2.83 0.14 0.00 0.00 0.00 0.00 36.38 33.54 1y0k s VAL 145 CO 0.15 0.37 0.37 0.21 0.00 0.00 0.00 175.10 176.20 1y0k s ASN 146 N 1.53 0.62 -0.17 3.32 2.47 -0.61 -4.17 114.94 117.93 1y0k s ASN 146 Ca 0.06 -0.22 -0.01 0.00 0.42 0.00 0.00 52.86 53.11 1y0k s ASN 146 Cb -0.15 0.96 -0.00 0.00 -1.45 0.00 0.00 41.25 40.61 1y0k s ASN 146 CO 0.01 -0.34 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.16 1y0k s LEU 147 N 2.50 2.59 0.29 3.21 1.43 -1.26 -3.93 118.68 123.50 1y0k s LEU 147 Ca 0.11 -0.44 0.13 0.00 -1.03 0.00 0.00 54.13 52.90 1y0k s LEU 147 Cb -0.14 -1.60 0.38 0.00 0.03 0.00 0.00 46.19 44.85 1y0k s LEU 147 CO -0.24 0.07 1.60 0.50 0.23 0.00 0.00 176.35 178.51 1y0k h LYS 148 N 7.42 0.00 -0.00 1.70 3.64 -1.93 -3.27 116.57 124.13 1y0k h LYS 148 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1y0k h LYS 148 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1y0k h LYS 148 CO 0.58 0.58 -0.39 0.54 -2.27 0.00 0.00 179.45 178.49 1y0k n ARG 149 N -3.63 0.23 -4.00 1.90 5.12 -1.26 -4.59 116.66 110.43 1y0k n ARG 149 Ca -0.01 -0.12 -0.09 0.00 -1.93 0.00 0.00 57.85 55.70 1y0k n ARG 149 Cb 0.62 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.32 1y0k n ARG 149 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1y0k s ALA 150 N -2.86 0.18 -0.02 7.54 0.00 -1.23 -1.57 121.76 123.80 1y0k s ALA 150 Ca 0.15 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1y0k s ALA 150 Cb 0.18 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1y0k s ALA 150 CO 0.64 -0.20 -0.12 0.14 0.00 0.00 0.00 175.76 176.22 1y0k s VAL 151 N -1.89 1.00 0.48 0.00 -7.23 0.18 -4.56 120.40 108.38 1y0k s VAL 151 Ca -0.12 -0.51 -0.24 0.00 -1.81 0.00 0.00 61.98 59.30 1y0k s VAL 151 Cb -0.07 -0.85 -0.07 0.00 0.56 0.00 0.00 36.38 35.95 1y0k s VAL 151 CO -0.03 0.29 1.33 -2.84 -0.31 0.00 0.00 175.10 173.55 1y0k s PRO 152 N -0.11 3.54 -0.64 4.82 0.02 -1.26 -0.55 135.00 140.81 1y0k s PRO 152 Ca 0.01 2.19 -0.21 0.00 0.02 0.00 0.00 61.00 63.01 1y0k s PRO 152 Cb -0.07 -2.48 0.08 0.00 0.02 0.00 0.00 34.50 32.06 1y0k s PRO 152 CO 0.00 -0.86 0.88 0.34 -0.33 0.00 0.00 177.00 177.03 1y0k s ASP 153 N -0.87 6.19 0.00 2.53 -1.08 0.11 -4.66 116.67 118.89 1y0k s ASP 153 Ca 0.65 -1.17 0.21 0.00 -0.52 0.00 0.00 52.55 51.72 1y0k s ASP 153 Cb -0.39 -2.38 1.12 0.00 -1.46 0.00 0.00 42.92 39.81 1y0k s ASP 153 CO 0.48 -1.32 1.68 0.49 0.52 0.00 0.00 175.17 177.02 1y0k n PHE 154 N 7.20 0.00 1.67 -5.34 3.01 -1.26 -2.34 117.46 120.40 1y0k n PHE 154 Ca -0.05 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.56 1y0k n PHE 154 Cb 0.44 -0.23 0.70 0.00 -0.01 0.00 0.00 39.48 40.38 1y0k n PHE 154 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1y0k n ASN 155 N -1.23 0.74 -4.66 4.37 3.02 -1.26 -4.85 115.26 111.40 1y0k n ASN 155 Ca 0.11 -1.14 -0.33 0.00 -0.03 0.00 0.00 54.58 53.18 1y0k n ASN 155 Cb 0.15 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.22 1y0k n ASN 155 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1y0k s THR 156 N -2.09 4.06 0.36 3.41 -4.23 -0.99 -5.11 115.64 111.05 1y0k s THR 156 Ca 0.40 -0.51 -0.19 0.00 -1.18 0.00 0.00 61.69 60.21 1y0k s THR 156 Cb 0.21 -2.75 -0.10 0.00 1.34 0.00 0.00 72.50 71.20 1y0k s THR 156 CO 0.37 0.48 0.85 -2.16 -0.54 0.00 0.00 174.62 173.62 1y0k s PRO 157 N -1.24 4.19 -0.17 3.99 0.04 -1.26 -4.57 135.00 135.98 1y0k s PRO 157 Ca 0.16 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 61.86 1y0k s PRO 157 Cb -0.11 -2.41 -0.00 0.00 0.04 0.00 0.00 34.50 32.01 1y0k s PRO 157 CO 0.06 0.12 1.10 -0.06 0.04 0.00 0.00 177.00 178.26 1y0k s PHE 158 N -1.98 3.25 0.69 0.56 0.40 -1.26 -4.27 117.98 115.37 1y0k s PHE 158 Ca 0.56 1.36 -0.12 0.00 -0.60 0.00 0.00 56.93 58.13 1y0k s PHE 158 Cb -0.11 -3.32 0.01 0.00 0.51 0.00 0.00 43.02 40.10 1y0k s PHE 158 CO 0.17 -0.79 1.07 -1.25 0.70 0.00 0.00 175.22 175.11 1y0k s PRO 159 N 2.92 2.88 0.16 0.24 0.04 -1.26 -4.95 135.00 135.03 1y0k s PRO 159 Ca 0.49 1.06 -0.34 0.00 0.04 0.00 0.00 61.00 62.24 1y0k s PRO 159 Cb -0.18 -1.98 -0.15 0.00 0.04 0.00 0.00 34.50 32.23 1y0k s PRO 159 CO 0.12 -1.15 1.33 -2.30 0.04 0.00 0.00 177.00 175.04 1y0k n PRO 160 N -2.97 1.48 -1.57 0.56 -0.02 -1.26 -4.85 135.00 126.37 1y0k n PRO 160 Ca 0.08 0.53 -0.40 0.00 -2.02 0.00 0.00 63.50 61.69 1y0k n PRO 160 Cb 0.53 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1y0k n PRO 160 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1y0k n PRO 161 N 2.29 3.77 -0.23 0.52 -0.04 -1.26 -4.78 135.00 135.26 1y0k n PRO 161 Ca 0.16 -2.60 -0.07 0.00 -0.04 0.00 0.00 63.50 60.94 1y0k n PRO 161 Cb 0.25 -2.84 0.04 0.00 -0.04 0.00 0.00 33.50 30.90 1y0k n PRO 161 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1y0k h THR 162 N 3.10 1.24 -0.68 0.52 1.35 -1.99 -0.12 112.91 116.33 1y0k h THR 162 Ca 0.77 -0.75 -0.05 0.00 -0.55 0.00 0.00 66.41 65.83 1y0k h THR 162 Cb 0.36 0.53 -0.03 0.00 -1.73 0.00 0.00 68.15 67.28 1y0k h THR 162 CO 1.73 0.30 0.24 -0.08 -0.25 0.00 0.00 175.52 177.46 1y0k h GLU 163 N 0.90 1.02 0.09 4.72 4.81 -1.99 -1.16 114.58 122.97 1y0k h GLU 163 Ca 0.21 -0.19 -0.27 0.00 -0.13 0.00 0.00 59.36 58.99 1y0k h GLU 163 Cb 0.22 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.44 1y0k h GLU 163 CO -0.02 0.85 -1.15 1.88 -0.73 0.00 0.00 179.01 179.84 1y0k h TYR 164 N 0.99 0.66 -0.44 0.92 0.05 -1.82 -2.74 116.97 114.59 1y0k h TYR 164 Ca 0.23 -0.42 0.06 0.00 0.05 0.00 0.00 58.73 58.65 1y0k h TYR 164 Cb 0.23 -0.05 -0.06 0.00 1.01 0.00 0.00 36.73 37.87 1y0k h TYR 164 CO 0.02 1.29 0.12 -0.07 -1.05 0.00 0.00 178.16 178.47 1y0k h LEU 165 N 0.17 0.08 -2.37 3.88 3.38 -0.90 -2.42 115.31 117.13 1y0k h LEU 165 Ca -0.13 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1y0k h LEU 165 Cb 1.83 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 1y0k h LEU 165 CO 0.20 0.08 -0.04 0.03 0.09 0.00 0.00 178.44 178.80 1y0k h ARG 166 N 0.27 0.00 0.00 1.13 3.08 -1.05 -2.21 114.38 115.60 1y0k h ARG 166 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1y0k h ARG 166 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1y0k h ARG 166 CO -0.25 0.04 0.00 1.96 -1.07 0.00 0.00 179.97 180.65 1y0k h GLN 167 N 0.00 0.00 0.00 0.04 4.20 -1.13 -3.47 115.11 114.75 1y0k h GLN 167 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1y0k h GLN 167 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1y0k h GLN 167 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1y0k n GLY 168 N 0.40 0.73 3.66 3.46 0.00 -0.83 -4.90 105.19 107.71 1y0k n GLY 168 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1y0k n GLY 168 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1y0k n TRP 169 N -2.12 1.21 -0.04 1.61 7.02 -1.26 -2.51 117.44 121.35 1y0k n TRP 169 Ca 0.00 0.42 -0.08 0.00 -1.02 0.00 0.00 57.50 56.82 1y0k n TRP 169 Cb 0.00 -2.17 0.10 0.00 -2.42 0.00 0.00 31.31 26.81 1y0k n TRP 169 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1y0k h ARG 170 N 0.29 0.65 -3.03 -0.99 2.43 -1.02 -3.46 114.38 109.25 1y0k h ARG 170 Ca -0.49 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 58.37 1y0k h ARG 170 Cb 1.35 -0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.78 1y0k h ARG 170 CO 0.51 0.90 0.19 -1.54 -1.51 0.00 0.00 179.97 178.52 1y0k s SER 171 N -6.82 -0.49 -0.09 -3.80 1.04 -1.18 -0.60 113.70 101.76 1y0k s SER 171 Ca -0.08 -0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.16 1y0k s SER 171 Cb 0.13 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.91 1y0k s SER 171 CO 0.83 -1.04 0.22 -0.22 0.98 0.00 0.00 173.24 174.01 1y0k s LEU 172 N -2.79 0.46 0.00 2.42 2.96 -0.56 -0.86 118.68 120.30 1y0k s LEU 172 Ca 0.03 0.46 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 1y0k s LEU 172 Cb -0.02 0.62 0.00 0.00 0.50 0.00 0.00 46.19 47.29 1y0k s LEU 172 CO -0.09 -0.17 0.00 -1.20 -1.32 0.00 0.00 176.35 173.58 1y0k n SER 173 N 4.30 0.48 0.00 3.68 7.64 0.02 -0.17 113.62 129.57 1y0k n SER 173 Ca -0.24 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.58 1y0k n SER 173 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1y0k n SER 173 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1y0k n VAL 175 N 0.00 0.00 -3.75 0.44 3.14 0.14 -0.99 118.33 117.32 1y0k n VAL 175 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 1y0k n VAL 175 Cb 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1y0k n VAL 175 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1y0k n GLY 176 N -0.15 1.84 0.29 7.55 0.00 0.20 -0.44 105.19 114.48 1y0k n GLY 176 Ca 0.00 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 44.78 1y0k n GLY 176 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1y0k h PRO 177 N 0.00 0.00 0.00 1.61 0.11 -1.90 -3.05 132.00 128.76 1y0k h PRO 177 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1y0k h PRO 177 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1y0k h PRO 177 CO 0.29 0.00 -1.54 0.25 -0.21 0.00 0.00 178.00 176.79 1y0k n THR 178 N -4.06 0.07 -3.66 -1.15 -2.24 -1.26 -3.91 114.28 98.07 1y0k n THR 178 Ca -0.03 -0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 61.36 1y0k n THR 178 Cb 0.09 0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1y0k n THR 178 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1y0k s PHE 179 N -3.34 -0.19 0.01 4.78 -0.12 -1.16 -1.22 117.98 116.76 1y0k s PHE 179 Ca -0.02 -0.04 -0.01 0.00 -0.05 0.00 0.00 56.93 56.81 1y0k s PHE 179 Cb 0.14 0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 43.11 1y0k s PHE 179 CO 0.87 -0.67 -0.01 0.00 -0.05 0.00 0.00 175.22 175.36 1y0k s ALA 180 N -3.13 0.07 -0.21 1.99 0.00 -0.45 -0.63 121.76 119.40 1y0k s ALA 180 Ca 0.10 -0.46 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 1y0k s ALA 180 Cb -0.01 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.29 1y0k s ALA 180 CO -0.02 -0.14 0.53 0.50 0.00 0.00 0.00 175.76 176.63 1y0k s ARG 181 N -1.22 0.57 -0.36 0.00 3.52 -1.26 -0.66 118.95 119.53 1y0k s ARG 181 Ca -0.13 0.87 -0.25 0.00 -0.13 0.00 0.00 55.73 56.09 1y0k s ARG 181 Cb -0.08 0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.48 1y0k s ARG 181 CO -0.01 -0.12 0.86 0.08 -0.81 0.00 0.00 175.30 175.31 1y0k s VAL 182 N 0.96 4.66 0.01 7.11 1.01 -1.26 -4.44 120.40 128.45 1y0k s VAL 182 Ca -0.05 1.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.82 1y0k s VAL 182 Cb -0.06 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 31.82 1y0k s VAL 182 CO -0.08 -0.47 1.10 -0.07 0.00 0.00 0.00 175.10 175.58 1y0k h LEU 183 N 9.89 0.55 -7.11 3.92 3.38 -0.91 -3.41 115.31 121.61 1y0k h LEU 183 Ca -0.24 -0.76 -0.04 0.00 0.09 0.00 0.00 57.88 56.93 1y0k h LEU 183 Cb 1.09 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.53 1y0k h LEU 183 CO 0.95 1.24 0.12 0.72 0.09 0.00 0.00 178.44 181.56 1y0k s PHE 184 N -3.21 -0.48 -0.24 1.13 -0.12 -1.03 -4.85 117.98 109.17 1y0k s PHE 184 Ca -0.13 0.40 -0.09 0.00 -0.05 0.00 0.00 56.93 57.06 1y0k s PHE 184 Cb 0.04 0.44 0.10 0.00 -0.63 0.00 0.00 43.02 42.97 1y0k s PHE 184 CO 0.83 -0.75 0.53 0.00 -0.05 0.00 0.00 175.22 175.78 1y0k s ALA 185 N -3.10 -1.54 0.83 1.99 0.00 -1.26 -1.50 121.76 117.17 1y0k s ALA 185 Ca -0.02 1.92 -0.11 0.00 0.00 0.00 0.00 51.96 53.75 1y0k s ALA 185 Cb -0.00 -1.44 0.09 0.00 0.00 0.00 0.00 23.12 21.76 1y0k s ALA 185 CO -0.07 -0.70 1.09 -1.01 0.00 0.00 0.00 175.76 175.07 1y0k s HIS 186 N 2.42 2.63 0.50 0.00 3.76 0.23 -4.89 115.29 119.93 1y0k s HIS 186 Ca -0.05 1.24 0.26 0.00 -0.15 0.00 0.00 55.06 56.36 1y0k s HIS 186 Cb -0.11 -3.12 1.35 0.00 1.11 0.00 0.00 32.58 31.81 1y0k s HIS 186 CO -0.16 -1.98 1.89 0.66 -0.85 0.00 0.00 174.74 174.30 1y0k h SER 187 N -1.25 0.13 0.96 1.40 4.64 -2.01 0.57 113.55 117.99 1y0k h SER 187 Ca -0.47 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1y0k h SER 187 Cb 1.27 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1y0k h SER 187 CO 0.57 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 1y0k n GLY 188 N -1.64 -1.45 3.77 -0.77 0.00 -1.26 -4.89 105.19 98.94 1y0k n GLY 188 Ca 0.18 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1y0k n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0k s ALA 189 N -3.01 2.65 0.31 4.61 0.00 0.19 -4.95 121.76 121.56 1y0k s ALA 189 Ca 0.13 0.91 -0.26 0.00 0.00 0.00 0.00 51.96 52.75 1y0k s ALA 189 Cb 0.17 -3.40 -0.15 0.00 0.00 0.00 0.00 23.12 19.74 1y0k s ALA 189 CO 0.50 -0.93 0.60 -2.30 0.00 0.00 0.00 175.76 173.63 1y0k n PRO 190 N -1.38 0.50 -0.01 0.00 -0.02 -1.26 -4.77 135.00 128.06 1y0k n PRO 190 Ca 0.12 0.18 0.05 0.00 -2.02 0.00 0.00 63.50 61.83 1y0k n PRO 190 Cb 0.50 -1.35 0.44 0.00 -0.02 0.00 0.00 33.50 33.06 1y0k n PRO 190 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1y0k h GLU 191 N 1.11 0.52 0.00 -0.52 4.81 -1.93 -1.85 114.58 116.71 1y0k h GLU 191 Ca -0.35 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1y0k h GLU 191 Cb 1.40 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1y0k h GLU 191 CO 0.55 0.34 -0.14 0.27 -0.73 0.00 0.00 179.01 179.30 1y0k h PHE 192 N 0.53 0.00 0.04 0.92 -5.15 -1.98 0.12 116.94 111.42 1y0k h PHE 192 Ca 0.16 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.93 1y0k h PHE 192 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.18 1y0k h PHE 192 CO -0.00 0.14 -0.02 -0.07 -2.00 0.00 0.00 178.31 176.36 1y0k h LEU 193 N 0.00 -0.04 -1.27 2.10 3.38 -1.69 -3.28 115.31 114.50 1y0k h LEU 193 Ca -0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1y0k h LEU 193 Cb 0.25 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1y0k h LEU 193 CO 0.02 0.49 0.44 0.03 0.09 0.00 0.00 178.44 179.51 1y0k h ARG 194 N -0.59 0.93 0.00 1.13 3.08 -1.23 -2.04 114.38 115.66 1y0k h ARG 194 Ca -0.01 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1y0k h ARG 194 Cb 0.54 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1y0k h ARG 194 CO 0.01 0.63 -0.01 0.00 -1.07 0.00 0.00 179.97 179.53 1y0k h ALA 195 N 1.53 1.08 -0.45 0.04 0.00 -0.87 -2.93 119.26 117.65 1y0k h ALA 195 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1y0k h ALA 195 Cb -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1y0k h ALA 195 CO -0.05 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.30 1y0k n ASN 196 N -3.21 3.39 -4.75 0.00 3.02 -0.77 -4.99 115.26 107.96 1y0k n ASN 196 Ca -0.02 -2.13 -0.37 0.00 -0.03 0.00 0.00 54.58 52.03 1y0k n ASN 196 Cb 0.13 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 38.99 1y0k n ASN 196 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1y0k s LEU 197 N -1.23 3.78 0.00 3.41 1.43 -1.11 -4.01 118.68 120.94 1y0k s LEU 197 Ca 0.33 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 1y0k s LEU 197 Cb 0.19 -4.43 0.00 0.00 0.03 0.00 0.00 46.19 41.98 1y0k s LEU 197 CO 0.20 -1.52 0.00 0.61 0.23 0.00 0.00 176.35 175.87 1y0k n GLY 198 N 0.62 0.64 3.38 -3.19 0.00 -1.26 -5.03 105.19 100.36 1y0k n GLY 198 Ca 0.12 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 1y0k n GLY 198 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1y0k s ARG 199 N -0.99 0.98 0.03 1.61 1.70 -1.26 -5.16 118.95 115.87 1y0k s ARG 199 Ca 0.00 -0.20 0.09 0.00 -0.47 0.00 0.00 55.73 55.15 1y0k s ARG 199 Cb 0.00 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.80 1y0k s ARG 199 CO 0.00 -0.34 -0.26 -1.12 -1.08 0.00 0.00 175.30 172.51 1y0k s SER 200 N -1.82 3.05 -0.26 -2.89 0.01 -1.26 -4.48 113.70 106.05 1y0k s SER 200 Ca -0.07 -0.56 -0.10 0.00 1.31 0.00 0.00 55.95 56.53 1y0k s SER 200 Cb -0.01 -0.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 1y0k s SER 200 CO 0.00 0.26 0.16 -0.63 0.41 0.00 0.00 173.24 173.43 1y0k s ILE 201 N -0.77 5.12 -0.23 1.44 -1.09 0.16 -4.97 121.20 120.87 1y0k s ILE 201 Ca 0.11 0.10 -0.07 0.00 -2.23 0.00 0.00 60.65 58.56 1y0k s ILE 201 Cb -0.10 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 1y0k s ILE 201 CO 0.02 0.30 0.07 -0.76 -1.23 0.00 0.00 174.94 173.33 1y0k s LEU 202 N 1.52 3.54 -0.01 2.97 1.02 -1.26 -1.35 118.68 125.11 1y0k s LEU 202 Ca 0.07 -0.13 -0.23 0.00 0.02 0.00 0.00 54.13 53.86 1y0k s LEU 202 Cb -0.15 -1.93 -0.05 0.00 0.02 0.00 0.00 46.19 44.08 1y0k s LEU 202 CO 0.08 0.02 0.70 -0.36 0.02 0.00 0.00 176.35 176.81 1y0k s PHE 203 N 1.28 3.66 0.62 0.29 2.99 -0.35 -4.98 117.98 121.48 1y0k s PHE 203 Ca 0.05 1.32 -0.18 0.00 0.00 0.00 0.00 56.93 58.12 1y0k s PHE 203 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 43.02 40.07 1y0k s PHE 203 CO 0.04 0.21 0.93 -0.25 -0.00 0.00 0.00 175.22 176.14 1y0k n ASP 204 N 3.20 0.57 -4.60 1.36 9.92 -1.26 -4.85 116.55 120.88 1y0k n ASP 204 Ca -0.03 0.77 -0.51 0.00 -0.53 0.00 0.00 54.79 54.50 1y0k n ASP 204 Cb 0.51 -1.38 -0.05 0.00 -0.64 0.00 0.00 41.12 39.56 1y0k n ASP 204 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1y0k n ALA 205 N -1.88 -0.58 0.00 2.24 0.00 -1.26 -1.58 120.51 117.45 1y0k n ALA 205 Ca 0.14 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1y0k n ALA 205 Cb 0.48 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1y0k n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y0k n GLY 206 N 2.56 2.06 0.09 0.00 0.00 -1.26 -4.89 105.19 103.76 1y0k n GLY 206 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1y0k n GLY 206 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1y0k h VAL 207 N 0.00 1.04 -0.59 1.61 2.07 -1.61 -3.36 116.25 115.41 1y0k h VAL 207 Ca 0.00 -2.79 -0.08 0.00 0.82 0.00 0.00 66.70 64.64 1y0k h VAL 207 Cb 0.00 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1y0k h VAL 207 CO 0.00 0.71 0.05 1.23 0.02 0.00 0.00 177.57 179.58 1y0k h GLY 208 N 2.62 1.08 -0.24 2.17 0.00 -1.72 -3.50 103.07 103.48 1y0k h GLY 208 Ca -0.25 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.32 1y0k h GLY 208 CO 0.11 0.70 0.00 1.04 0.00 0.00 0.00 176.54 178.39