#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yya s ARG 2 N 0.00 4.50 0.15 0.03 0.52 -1.26 -4.99 118.95 117.90 1yya s ARG 2 Ca 0.00 1.79 -0.30 0.00 -0.52 0.00 0.00 55.73 56.69 1yya s ARG 2 Cb 0.00 -3.29 -0.08 0.00 0.52 0.00 0.00 34.95 32.10 1yya s ARG 2 CO 0.00 -0.10 1.30 0.50 0.02 0.00 0.00 175.30 177.02 1yya s ARG 3 N 0.20 4.39 0.43 3.54 3.52 -1.26 -4.98 118.95 124.79 1yya s ARG 3 Ca 0.54 1.99 -0.24 0.00 -0.13 0.00 0.00 55.73 57.88 1yya s ARG 3 Cb -0.30 -3.24 -0.08 0.00 -1.56 0.00 0.00 34.95 29.77 1yya s ARG 3 CO 0.33 -0.28 1.19 0.08 -0.81 0.00 0.00 175.30 175.82 1yya s VAL 4 N 0.49 3.02 -0.09 7.11 1.01 -1.26 -4.89 120.40 125.80 1yya s VAL 4 Ca 0.58 0.83 0.01 0.00 0.00 0.00 0.00 61.98 63.41 1yya s VAL 4 Cb -0.35 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1yya s VAL 4 CO 0.34 0.05 -0.11 -0.22 0.00 0.00 0.00 175.10 175.16 1yya s LEU 5 N -2.69 1.54 -0.33 3.92 2.96 -0.77 -0.36 118.68 122.95 1yya s LEU 5 Ca 0.60 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1yya s LEU 5 Cb -0.31 -0.87 0.07 0.00 0.50 0.00 0.00 46.19 45.57 1yya s LEU 5 CO 0.39 -0.01 0.05 -0.69 -1.32 0.00 0.00 176.35 174.77 1yya s VAL 6 N 0.99 2.97 -0.22 1.68 1.01 0.23 -1.93 120.40 125.12 1yya s VAL 6 Ca -0.08 -1.62 -0.05 0.00 0.00 0.00 0.00 61.98 60.23 1yya s VAL 6 Cb -0.15 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1yya s VAL 6 CO -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 175.10 174.82 1yya s ALA 7 N 1.19 2.97 -0.40 5.51 0.00 -0.53 -1.55 121.76 128.97 1yya s ALA 7 Ca -0.01 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 50.67 1yya s ALA 7 Cb -0.20 -1.83 0.01 0.00 0.00 0.00 0.00 23.12 21.10 1yya s ALA 7 CO -0.02 -0.37 0.46 0.20 0.00 0.00 0.00 175.76 176.03 1yya s GLY 8 N 1.38 1.86 -0.62 0.00 0.00 0.28 -0.40 107.32 109.82 1yya s GLY 8 Ca 0.05 -1.36 -0.20 0.00 0.00 0.00 0.00 44.72 43.21 1yya s GLY 8 CO 0.00 1.20 0.79 0.21 0.00 0.00 0.00 173.10 175.30 1yya s ASN 9 N 1.82 6.19 0.24 1.64 2.47 0.20 -0.10 114.94 127.40 1yya s ASN 9 Ca 0.14 -1.33 0.23 0.00 0.42 0.00 0.00 52.86 52.32 1yya s ASN 9 Cb -0.16 -2.34 0.95 0.00 -1.45 0.00 0.00 41.25 38.25 1yya s ASN 9 CO 0.14 -1.21 1.70 0.79 -3.72 0.00 0.00 177.10 174.80 1yya n TRP 10 N 6.73 0.76 -3.91 0.43 8.01 -1.09 -4.31 117.44 124.05 1yya n TRP 10 Ca -0.07 0.29 0.00 0.00 -1.31 0.00 0.00 57.50 56.42 1yya n TRP 10 Cb 0.43 -0.98 0.00 0.00 -2.01 0.00 0.00 31.31 28.76 1yya n TRP 10 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1yya n LYS 11 N -2.19 0.00 -2.97 -0.99 5.02 -1.26 -3.48 118.16 112.29 1yya n LYS 11 Ca 0.02 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.87 1yya n LYS 11 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 1yya n LYS 11 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1yya n MET 12 N 7.34 3.51 -3.94 1.97 1.56 -1.26 -4.33 117.12 121.97 1yya n MET 12 Ca 0.00 -4.00 -0.10 0.00 -0.27 0.00 0.00 57.70 53.34 1yya n MET 12 Cb 0.00 -2.88 -0.10 0.00 2.15 0.00 0.00 33.22 32.39 1yya n MET 12 CO 0.00 0.00 0.00 -1.01 -0.73 0.00 0.00 175.97 174.23 1yya s HIS 13 N 0.46 0.20 0.24 1.12 3.76 -1.23 -5.13 115.29 114.71 1yya s HIS 13 Ca 0.39 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 1yya s HIS 13 Cb -0.02 -0.15 0.00 0.00 1.11 0.00 0.00 32.58 33.52 1yya s HIS 13 CO -0.01 -0.28 0.00 1.63 -0.85 0.00 0.00 174.74 175.23 1yya n LYS 14 N 1.22 -1.38 -4.47 1.40 5.02 -1.26 -4.78 118.16 113.91 1yya n LYS 14 Ca -0.22 1.09 -0.26 0.00 -2.02 0.00 0.00 58.31 56.91 1yya n LYS 14 Cb 0.57 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 1yya n LYS 14 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1yya s THR 15 N -3.17 2.36 0.26 -0.18 -4.23 -1.26 -4.99 115.64 104.43 1yya s THR 15 Ca 0.00 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.37 1yya s THR 15 Cb 0.00 -2.72 0.24 0.00 1.34 0.00 0.00 72.50 71.36 1yya s THR 15 CO 0.00 -0.19 1.85 -0.65 -0.54 0.00 0.00 174.62 175.09 1yya h PRO 16 N 1.93 0.96 -0.62 3.99 0.11 -1.96 0.11 132.00 136.52 1yya h PRO 16 Ca -0.42 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1yya h PRO 16 Cb 1.25 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1yya h PRO 16 CO 0.70 0.64 0.07 0.66 -0.21 0.00 0.00 178.00 179.85 1yya h SER 17 N 0.99 1.01 0.11 -2.05 4.64 -1.97 -1.29 113.55 114.98 1yya h SER 17 Ca 0.42 -0.28 -0.11 0.00 -0.47 0.00 0.00 61.79 61.35 1yya h SER 17 Cb 0.28 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1yya h SER 17 CO -0.21 1.03 -0.38 -0.33 -0.87 0.00 0.00 176.83 176.07 1yya h GLU 18 N 0.95 0.37 -0.33 4.77 5.08 -1.80 -2.97 114.58 120.65 1yya h GLU 18 Ca 0.18 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1yya h GLU 18 Cb 0.48 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1yya h GLU 18 CO 0.02 0.71 -0.28 0.00 -1.00 0.00 0.00 179.01 178.46 1yya h ALA 19 N 1.28 0.90 -0.64 3.43 0.00 -0.43 -2.45 119.26 121.34 1yya h ALA 19 Ca 0.03 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1yya h ALA 19 Cb 0.82 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1yya h ALA 19 CO 0.07 0.62 0.38 -0.09 0.00 0.00 0.00 179.25 180.23 1yya h ARG 20 N 0.58 0.70 -0.11 0.00 2.43 -1.08 0.74 114.38 117.64 1yya h ARG 20 Ca 0.07 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1yya h ARG 20 Cb 0.77 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1yya h ARG 20 CO 0.06 0.47 0.05 0.28 -1.51 0.00 0.00 179.97 179.32 1yya h VAL 21 N 0.73 1.14 -0.19 0.20 2.07 -1.50 -1.51 116.25 117.19 1yya h VAL 21 Ca 0.27 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1yya h VAL 21 Cb 0.09 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1yya h VAL 21 CO -0.14 0.13 -0.01 -0.25 0.02 0.00 0.00 177.57 177.32 1yya h TRP 22 N 0.03 -0.03 -0.69 1.57 7.01 -0.98 -0.72 115.95 122.14 1yya h TRP 22 Ca 0.04 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.99 1yya h TRP 22 Cb 0.16 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 1yya h TRP 22 CO -0.02 -0.04 0.19 0.74 -2.79 0.00 0.00 178.44 176.52 1yya h PHE 23 N 0.05 1.12 -0.57 2.65 0.04 -0.81 -0.93 116.94 118.48 1yya h PHE 23 Ca 0.09 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 1yya h PHE 23 Cb 0.12 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 1yya h PHE 23 CO -0.18 0.90 0.03 0.00 -0.60 0.00 0.00 178.31 178.47 1yya h ALA 24 N 1.17 0.98 -0.41 2.45 0.00 -0.90 -0.06 119.26 122.49 1yya h ALA 24 Ca 0.22 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1yya h ALA 24 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1yya h ALA 24 CO -0.00 0.63 -0.13 0.93 0.00 0.00 0.00 179.25 180.68 1yya h GLU 25 N 0.90 0.81 -0.53 0.00 5.08 -0.84 -1.94 114.58 118.05 1yya h GLU 25 Ca 0.17 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1yya h GLU 25 Cb 0.48 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1yya h GLU 25 CO 0.02 0.95 0.34 1.25 -1.00 0.00 0.00 179.01 180.57 1yya h LEU 26 N 0.63 0.63 -0.53 1.33 5.85 -0.85 -0.63 115.31 121.73 1yya h LEU 26 Ca 0.10 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1yya h LEU 26 Cb 0.67 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1yya h LEU 26 CO 0.05 0.48 0.34 0.50 -0.34 0.00 0.00 178.44 179.47 1yya h LYS 27 N 0.72 0.67 -0.24 1.25 3.64 -0.88 0.23 116.57 121.97 1yya h LYS 27 Ca 0.19 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 1yya h LYS 27 Cb -0.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1yya h LYS 27 CO -0.04 0.45 -0.36 -0.09 -2.27 0.00 0.00 179.45 177.13 1yya h ARG 28 N 0.69 0.54 0.00 1.90 2.43 -1.00 -3.29 114.38 115.65 1yya h ARG 28 Ca 0.20 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1yya h ARG 28 Cb -0.05 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1yya h ARG 28 CO -0.06 0.82 -1.05 1.28 -1.51 0.00 0.00 179.97 179.45 1yya n LEU 29 N -4.05 0.85 -4.65 3.80 4.77 -0.27 -4.94 117.00 112.50 1yya n LEU 29 Ca -0.01 0.33 -0.48 0.00 -0.03 0.00 0.00 56.01 55.82 1yya n LEU 29 Cb 0.49 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1yya n LEU 29 CO 0.44 -0.15 1.55 -0.11 -1.33 0.00 0.00 177.39 177.79 1yya n LEU 30 N -2.70 3.29 -4.94 2.23 7.94 0.79 -4.98 117.00 118.64 1yya n LEU 30 Ca -0.01 0.86 -0.24 0.00 -1.11 0.00 0.00 56.01 55.50 1yya n LEU 30 Cb 0.58 -1.37 0.04 0.00 0.53 0.00 0.00 43.42 43.20 1yya n LEU 30 CO 0.40 -0.17 0.49 -2.16 -1.11 0.00 0.00 177.39 174.84 1yya s PRO 31 N 4.48 2.58 0.06 1.96 0.04 -1.26 -5.01 135.00 137.86 1yya s PRO 31 Ca 0.95 -0.35 -0.31 0.00 0.04 0.00 0.00 61.00 61.34 1yya s PRO 31 Cb -0.69 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 31.46 1yya s PRO 31 CO 0.51 -0.85 1.49 -1.25 0.04 0.00 0.00 177.00 176.94 1yya s PRO 32 N -4.98 4.26 0.06 0.56 0.04 -1.26 -5.00 135.00 128.68 1yya s PRO 32 Ca 0.56 2.14 0.04 0.00 0.04 0.00 0.00 61.00 63.78 1yya s PRO 32 Cb -0.10 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 1yya s PRO 32 CO 0.42 -0.60 -0.12 -0.51 0.04 0.00 0.00 177.00 176.24 1yya s LEU 33 N 2.08 2.25 0.02 -3.56 1.43 -1.26 -5.04 118.68 114.60 1yya s LEU 33 Ca 0.68 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 53.12 1yya s LEU 33 Cb -0.36 -0.40 -0.31 0.00 0.03 0.00 0.00 46.19 45.15 1yya s LEU 33 CO 0.30 -0.10 0.94 1.56 0.23 0.00 0.00 176.35 179.27 1yya h GLN 34 N 4.49 0.39 -7.44 1.70 1.08 -1.88 -3.47 115.11 109.97 1yya h GLN 34 Ca -0.38 -0.66 -0.44 0.00 -1.45 0.00 0.00 58.65 55.72 1yya h GLN 34 Cb 1.19 0.25 0.17 0.00 -0.05 0.00 0.00 27.48 29.04 1yya h GLN 34 CO 0.41 1.29 0.21 -1.12 -0.95 0.00 0.00 178.83 178.67 1yya s SER 35 N -7.29 2.07 -0.11 1.46 0.01 0.17 -4.88 113.70 105.12 1yya s SER 35 Ca -0.09 0.81 -0.02 0.00 1.31 0.00 0.00 55.95 57.96 1yya s SER 35 Cb 0.06 -1.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.04 1yya s SER 35 CO 0.89 -3.43 -0.03 -0.70 0.41 0.00 0.00 173.24 170.38 1yya s GLU 36 N -5.30 3.16 0.05 12.44 2.12 0.51 -4.99 118.70 126.69 1yya s GLU 36 Ca 0.68 -0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.60 1yya s GLU 36 Cb -0.13 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 1yya s GLU 36 CO 0.56 0.53 -0.20 0.00 -0.54 0.00 0.00 175.26 175.61 1yya s ALA 37 N -0.41 2.53 -0.11 6.30 0.00 -1.26 -0.61 121.76 128.20 1yya s ALA 37 Ca 0.07 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.64 1yya s ALA 37 Cb -0.12 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.36 1yya s ALA 37 CO 0.02 0.57 0.43 0.00 0.00 0.00 0.00 175.76 176.78 1yya s ALA 38 N -0.91 -1.08 -0.06 0.00 0.00 -0.59 -1.26 121.76 117.85 1yya s ALA 38 Ca 0.14 1.00 0.05 0.00 0.00 0.00 0.00 51.96 53.16 1yya s ALA 38 Cb -0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1yya s ALA 38 CO 0.05 -0.24 -0.22 0.08 0.00 0.00 0.00 175.76 175.43 1yya s VAL 39 N -0.36 2.35 -0.58 0.00 1.01 -0.56 -0.56 120.40 121.70 1yya s VAL 39 Ca -0.05 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1yya s VAL 39 Cb -0.03 -1.88 0.14 0.00 0.00 0.00 0.00 36.38 34.62 1yya s VAL 39 CO 0.03 0.57 0.35 -0.76 0.00 0.00 0.00 175.10 175.28 1yya s LEU 40 N -0.27 4.56 0.73 3.92 1.43 0.86 -2.01 118.68 127.90 1yya s LEU 40 Ca 0.00 -3.22 -0.04 0.00 -1.03 0.00 0.00 54.13 49.84 1yya s LEU 40 Cb -0.13 -1.67 0.11 0.00 0.03 0.00 0.00 46.19 44.53 1yya s LEU 40 CO 0.03 -0.21 1.02 -2.16 0.23 0.00 0.00 176.35 175.26 1yya s PRO 41 N -0.57 1.75 0.71 1.29 0.04 -1.23 -2.68 135.00 134.31 1yya s PRO 41 Ca 0.19 -0.77 -0.15 0.00 0.04 0.00 0.00 61.00 60.31 1yya s PRO 41 Cb -0.20 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.13 1yya s PRO 41 CO -0.04 -1.45 1.16 0.00 0.04 0.00 0.00 177.00 176.71 1yya s ALA 42 N -3.23 2.23 0.23 8.56 0.00 -1.26 -4.29 121.76 124.01 1yya s ALA 42 Ca 0.65 0.70 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 1yya s ALA 42 Cb -0.07 -3.40 0.27 0.00 0.00 0.00 0.00 23.12 19.93 1yya s ALA 42 CO 0.45 -1.67 1.57 0.74 0.00 0.00 0.00 175.76 176.85 1yya h PHE 43 N -0.28 -0.82 0.00 0.00 0.04 -1.96 -0.64 116.94 113.28 1yya h PHE 43 Ca -0.47 0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.39 1yya h PHE 43 Cb 1.27 0.49 0.00 0.00 2.20 0.00 0.00 35.95 39.91 1yya h PHE 43 CO 0.51 -0.39 0.00 -0.35 -0.60 0.00 0.00 178.31 177.47 1yya n PRO 44 N -5.50 0.18 0.01 1.51 -0.04 -1.26 -1.97 135.00 127.93 1yya n PRO 44 Ca 0.10 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 1yya n PRO 44 Cb 0.41 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 1yya n PRO 44 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1yya n ILE 45 N -1.26 0.06 -0.28 0.52 5.41 -0.25 -4.39 119.36 119.16 1yya n ILE 45 Ca 0.06 -0.12 0.01 0.00 1.00 0.00 0.00 62.75 63.69 1yya n ILE 45 Cb 0.09 0.52 0.21 0.00 -0.71 0.00 0.00 39.64 39.74 1yya n ILE 45 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1yya h LEU 46 N 0.00 0.95 -0.75 1.39 3.38 -1.41 -2.10 115.31 116.77 1yya h LEU 46 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1yya h LEU 46 Cb 0.62 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1yya h LEU 46 CO 0.00 0.67 0.44 -0.65 0.09 0.00 0.00 178.44 178.99 1yya h PRO 47 N 1.11 1.02 0.00 1.13 0.11 -1.79 -0.68 132.00 132.90 1yya h PRO 47 Ca 0.33 -0.10 -0.08 0.00 0.11 0.00 0.00 66.00 66.25 1yya h PRO 47 Cb -0.05 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 1yya h PRO 47 CO -0.09 0.73 -0.39 -0.24 -0.21 0.00 0.00 178.00 177.81 1yya h VAL 48 N 1.02 0.92 -0.34 3.15 3.04 -1.78 -0.80 116.25 121.47 1yya h VAL 48 Ca 0.27 -1.56 -0.04 0.00 -1.01 0.00 0.00 66.70 64.36 1yya h VAL 48 Cb -0.01 1.94 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 1yya h VAL 48 CO -0.05 0.38 0.07 0.00 -1.01 0.00 0.00 177.57 176.96 1yya h ALA 49 N 1.61 0.45 -0.41 3.17 0.00 -0.75 -0.89 119.26 122.44 1yya h ALA 49 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1yya h ALA 49 Cb 0.91 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1yya h ALA 49 CO 0.05 0.14 0.22 -0.22 0.00 0.00 0.00 179.25 179.43 1yya h LYS 50 N 0.40 0.58 0.13 0.00 3.64 -0.75 0.76 116.57 121.33 1yya h LYS 50 Ca 0.11 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1yya h LYS 50 Cb 0.33 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1yya h LYS 50 CO 0.00 0.48 -0.06 1.49 -2.27 0.00 0.00 179.45 179.09 1yya h GLU 51 N 0.53 -0.16 0.12 1.90 4.81 -0.94 -1.76 114.58 119.08 1yya h GLU 51 Ca 0.14 0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.10 1yya h GLU 51 Cb 0.08 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1yya h GLU 51 CO -0.02 -0.08 -1.35 0.28 -0.73 0.00 0.00 179.01 177.11 1yya h VAL 52 N -0.20 1.37 0.00 0.32 2.07 -1.15 -3.39 116.25 115.27 1yya h VAL 52 Ca -0.02 -2.97 0.00 0.00 0.82 0.00 0.00 66.70 64.53 1yya h VAL 52 Cb 0.16 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1yya h VAL 52 CO 0.03 0.86 -1.59 0.18 0.02 0.00 0.00 177.57 177.07 1yya n LEU 53 N -3.49 0.34 -0.37 2.57 4.77 0.26 -4.56 117.00 116.51 1yya n LEU 53 Ca -0.11 0.00 0.30 0.00 -0.03 0.00 0.00 56.01 56.17 1yya n LEU 53 Cb 1.03 -0.02 0.56 0.00 -2.33 0.00 0.00 43.42 42.66 1yya n LEU 53 CO 0.52 -0.00 1.16 0.00 -1.33 0.00 0.00 177.39 177.75 1yya h ALA 54 N 2.18 2.30 -0.02 -1.18 0.00 -1.40 0.25 119.26 121.39 1yya h ALA 54 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1yya h ALA 54 Cb 0.91 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1yya h ALA 54 CO 0.00 -0.93 -0.01 -0.85 0.00 0.00 0.00 179.25 177.47 1yya n GLU 55 N -4.90 1.72 -3.07 0.00 0.28 -1.26 -4.93 120.64 108.48 1yya n GLU 55 Ca 0.34 -1.07 -0.20 0.00 -0.16 0.00 0.00 57.16 56.07 1yya n GLU 55 Cb 1.18 -1.48 0.06 0.00 1.43 0.00 0.00 31.44 32.63 1yya n GLU 55 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1yya s THR 56 N -2.02 2.12 -1.45 3.84 -4.23 0.86 -5.00 115.64 109.76 1yya s THR 56 Ca 0.36 -1.02 0.29 0.00 -1.18 0.00 0.00 61.69 60.14 1yya s THR 56 Cb 0.21 -2.14 0.42 0.00 1.34 0.00 0.00 72.50 72.33 1yya s THR 56 CO 0.34 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 176.31 1yya n GLN 57 N -2.23 0.48 -3.01 3.99 1.13 -1.26 -4.81 117.38 111.67 1yya n GLN 57 Ca 0.15 -0.12 -0.41 0.00 -1.94 0.00 0.00 57.00 54.69 1yya n GLN 57 Cb 0.62 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.42 1yya n GLN 57 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1yya s VAL 58 N -2.61 4.97 0.63 5.09 1.01 -1.26 -4.56 120.40 123.67 1yya s VAL 58 Ca 0.26 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.69 1yya s VAL 58 Cb 0.20 -4.04 0.09 0.00 0.00 0.00 0.00 36.38 32.63 1yya s VAL 58 CO 0.49 0.10 0.87 -0.83 0.00 0.00 0.00 175.10 175.74 1yya s GLY 59 N 1.10 1.78 0.21 4.51 0.00 -0.39 -4.71 107.32 109.83 1yya s GLY 59 Ca 0.34 -1.79 -0.13 0.00 0.00 0.00 0.00 44.72 43.14 1yya s GLY 59 CO 0.13 -1.33 0.43 -2.52 0.00 0.00 0.00 173.10 169.81 1yya s TYR 60 N -2.89 0.28 0.17 1.90 -0.85 -1.26 -1.50 117.35 113.21 1yya s TYR 60 Ca 0.63 -0.64 -0.23 0.00 -0.52 0.00 0.00 57.07 56.31 1yya s TYR 60 Cb -0.06 0.16 0.08 0.00 0.38 0.00 0.00 41.96 42.51 1yya s TYR 60 CO 0.41 -0.90 1.04 0.20 -1.52 0.00 0.00 175.55 174.77 1yya s GLY 61 N -2.98 0.04 0.54 5.49 0.00 -0.85 -0.95 107.32 108.61 1yya s GLY 61 Ca 0.18 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.68 1yya s GLY 61 CO 0.04 2.04 0.76 0.00 0.00 0.00 0.00 173.10 175.95 1yya s ALA 62 N -2.34 3.84 -2.21 3.20 0.00 -0.77 -3.50 121.76 119.99 1yya s ALA 62 Ca 0.20 -1.26 0.21 0.00 0.00 0.00 0.00 51.96 51.11 1yya s ALA 62 Cb -0.02 -2.11 0.07 0.00 0.00 0.00 0.00 23.12 21.06 1yya s ALA 62 CO 0.04 -0.70 1.08 1.04 0.00 0.00 0.00 175.76 177.23 1yya n GLN 63 N -2.32 1.65 -3.74 0.00 6.02 -1.26 -0.72 117.38 117.02 1yya n GLN 63 Ca 0.07 -1.31 -0.01 0.00 -0.01 0.00 0.00 57.00 55.74 1yya n GLN 63 Cb 0.59 -1.41 -0.00 0.00 1.02 0.00 0.00 30.24 30.44 1yya n GLN 63 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1yya s ASP 64 N -2.05 -0.10 -0.03 1.08 2.15 -1.18 -4.45 116.67 112.08 1yya s ASP 64 Ca 0.20 -0.34 -0.29 0.00 0.43 0.00 0.00 52.55 52.56 1yya s ASP 64 Cb 0.17 0.36 0.10 0.00 -0.30 0.00 0.00 42.92 43.24 1yya s ASP 64 CO 0.40 -0.67 0.82 0.54 -0.17 0.00 0.00 175.17 176.10 1yya s VAL 65 N -2.76 0.00 0.57 1.11 0.11 -1.26 -4.82 120.40 113.35 1yya s VAL 65 Ca 0.15 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.03 1yya s VAL 65 Cb 0.01 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 1yya s VAL 65 CO 0.00 0.00 1.07 -0.55 -3.33 0.00 0.00 175.10 172.29 1yya s SER 66 N -1.86 5.84 0.00 3.54 0.15 0.50 -4.90 113.70 116.98 1yya s SER 66 Ca -0.01 1.90 0.28 0.00 0.70 0.00 0.00 55.95 58.82 1yya s SER 66 Cb -0.01 -2.55 1.01 0.00 -1.71 0.00 0.00 66.02 62.76 1yya s SER 66 CO -0.03 -1.13 1.75 0.00 1.20 0.00 0.00 173.24 175.04 1yya n ALA 67 N -1.72 2.81 -2.80 5.45 0.00 -1.26 -4.66 120.51 118.33 1yya n ALA 67 Ca 0.09 -0.21 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 1yya n ALA 67 Cb 0.52 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 1yya n ALA 67 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1yya s HIS 68 N -2.89 3.11 0.09 0.00 3.76 -1.26 -4.71 115.29 113.39 1yya s HIS 68 Ca 0.16 -0.06 -0.01 0.00 -0.15 0.00 0.00 55.06 55.00 1yya s HIS 68 Cb 0.19 -1.46 -0.24 0.00 1.11 0.00 0.00 32.58 32.17 1yya s HIS 68 CO 0.57 0.52 1.20 0.87 -0.85 0.00 0.00 174.74 177.05 1yya h LYS 69 N 2.14 0.20 -1.53 1.40 1.57 -2.00 -3.43 116.57 114.93 1yya h LYS 69 Ca -0.48 -0.33 0.28 0.00 -1.87 0.00 0.00 60.65 58.25 1yya h LYS 69 Cb 1.21 0.12 -0.15 0.00 0.08 0.00 0.00 32.23 33.50 1yya h LYS 69 CO 0.62 1.15 0.80 -1.83 -0.57 0.00 0.00 179.45 179.61 1yya s GLU 70 N -2.72 0.41 0.00 3.15 4.04 -1.26 -4.72 118.70 117.60 1yya s GLU 70 Ca -0.03 -0.20 0.00 0.00 0.04 0.00 0.00 54.97 54.78 1yya s GLU 70 Cb 0.08 0.16 0.00 0.00 0.02 0.00 0.00 34.13 34.39 1yya s GLU 70 CO 0.86 -0.19 0.00 0.41 -1.84 0.00 0.00 175.26 174.51 1yya n GLY 71 N -0.32 0.90 2.93 -3.83 0.00 -1.26 -4.95 105.19 98.67 1yya n GLY 71 Ca -0.05 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1yya n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yya n ALA 72 N -1.00 5.09 -3.42 4.61 0.00 -1.26 -4.72 120.51 119.81 1yya n ALA 72 Ca 0.00 -3.91 -0.26 0.00 0.00 0.00 0.00 53.44 49.27 1yya n ALA 72 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 19.45 15.85 1yya n ALA 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1yya n TYR 73 N 6.41 1.07 -1.61 0.00 4.02 -1.26 -5.10 117.16 120.69 1yya n TYR 73 Ca 0.50 -3.77 -0.51 0.00 -0.01 0.00 0.00 57.90 54.12 1yya n TYR 73 Cb 0.40 -0.29 -0.06 0.00 -0.02 0.00 0.00 39.34 39.38 1yya n TYR 73 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1yya n THR 74 N 1.74 0.01 0.00 -0.72 -1.04 -1.26 -1.49 114.28 111.52 1yya n THR 74 Ca 0.25 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1yya n THR 74 Cb 0.46 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 1yya n THR 74 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yya n GLY 75 N 2.73 2.34 3.87 3.41 0.00 -1.26 -5.05 105.19 111.24 1yya n GLY 75 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1yya n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yya s GLU 76 N -0.52 3.81 -0.12 1.61 2.02 -0.55 -5.08 118.70 119.85 1yya s GLU 76 Ca 0.00 0.36 0.00 0.00 0.02 0.00 0.00 54.97 55.35 1yya s GLU 76 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 1yya s GLU 76 CO 0.00 0.18 -0.15 0.08 0.02 0.00 0.00 175.26 175.39 1yya s VAL 77 N -2.04 2.91 0.42 2.63 1.01 -1.26 -4.99 120.40 119.08 1yya s VAL 77 Ca 0.49 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1yya s VAL 77 Cb -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1yya s VAL 77 CO 0.24 0.53 0.69 -0.94 0.00 0.00 0.00 175.10 175.63 1yya s SER 78 N 0.34 6.31 0.42 3.32 1.04 -1.26 -0.37 113.70 123.49 1yya s SER 78 Ca -0.12 0.79 0.11 0.00 0.48 0.00 0.00 55.95 57.20 1yya s SER 78 Cb -0.16 -2.18 0.89 0.00 0.10 0.00 0.00 66.02 64.66 1yya s SER 78 CO 0.06 -0.44 1.98 0.00 0.98 0.00 0.00 173.24 175.81 1yya h ALA 79 N 0.61 1.63 -0.27 5.32 0.00 -1.84 -1.63 119.26 123.07 1yya h ALA 79 Ca -0.48 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 1yya h ALA 79 Cb 1.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1yya h ALA 79 CO 0.62 0.28 -0.15 -0.09 0.00 0.00 0.00 179.25 179.90 1yya h ARG 80 N 0.22 0.46 -0.48 0.00 2.43 -1.91 0.56 114.38 115.66 1yya h ARG 80 Ca 0.05 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 58.97 1yya h ARG 80 Cb 0.25 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1yya h ARG 80 CO 0.01 0.61 -0.13 0.52 -1.51 0.00 0.00 179.97 179.47 1yya h MET 81 N 0.42 0.94 -0.43 0.20 2.86 -1.70 -1.86 114.93 115.36 1yya h MET 81 Ca 0.08 -0.37 -0.11 0.00 -2.06 0.00 0.00 59.70 57.24 1yya h MET 81 Cb 0.52 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1yya h MET 81 CO 0.03 1.03 -0.19 -0.07 1.06 0.00 0.00 176.91 178.77 1yya h LEU 82 N 0.79 0.85 -0.80 1.22 3.38 -0.87 -2.84 115.31 117.04 1yya h LEU 82 Ca 0.12 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 1yya h LEU 82 Cb 0.69 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1yya h LEU 82 CO 0.05 1.02 -0.53 0.77 0.09 0.00 0.00 178.44 179.85 1yya h SER 83 N 0.74 0.21 0.04 -0.43 4.64 -0.83 -2.12 113.55 115.81 1yya h SER 83 Ca 0.11 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1yya h SER 83 Cb 0.71 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1yya h SER 83 CO 0.05 0.70 -0.07 -0.78 -0.87 0.00 0.00 176.83 175.87 1yya h ASP 84 N 0.15 0.09 0.09 4.97 3.58 -1.14 -0.98 116.42 123.18 1yya h ASP 84 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1yya h ASP 84 Cb 0.98 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1yya h ASP 84 CO 0.08 0.18 -0.07 0.18 -2.88 0.00 0.00 179.24 176.73 1yya n LEU 85 N -4.40 1.06 -0.32 2.28 4.77 -0.92 -4.94 117.00 114.52 1yya n LEU 85 Ca -0.02 -0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 55.62 1yya n LEU 85 Cb 0.18 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1yya n LEU 85 CO 0.36 0.18 -0.04 0.61 -1.33 0.00 0.00 177.39 177.17 1yya n GLY 86 N 1.20 0.43 3.73 -0.72 0.00 -0.37 -4.71 105.19 104.74 1yya n GLY 86 Ca 0.18 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1yya n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yya h ARG 88 N 6.29 0.00 -4.76 0.00 2.43 -1.40 -3.44 114.38 113.49 1yya h ARG 88 Ca -0.44 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.42 1yya h ARG 88 Cb 1.21 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.61 1yya h ARG 88 CO 0.87 0.41 -0.61 0.71 -1.51 0.00 0.00 179.97 179.84 1yya s TYR 89 N -2.82 1.39 -0.29 2.20 1.51 -1.19 -1.14 117.35 117.02 1yya s TYR 89 Ca -0.03 -1.30 -0.15 0.00 -1.01 0.00 0.00 57.07 54.59 1yya s TYR 89 Cb 0.08 -0.75 0.10 0.00 -0.11 0.00 0.00 41.96 41.29 1yya s TYR 89 CO 0.81 -0.50 0.75 0.00 -1.11 0.00 0.00 175.55 175.50 1yya s ALA 90 N -3.90 -2.02 0.25 3.71 0.00 -0.96 -1.84 121.76 117.01 1yya s ALA 90 Ca 0.38 2.36 -0.30 0.00 0.00 0.00 0.00 51.96 54.40 1yya s ALA 90 Cb 0.07 -1.57 -0.09 0.00 0.00 0.00 0.00 23.12 21.53 1yya s ALA 90 CO 0.14 -0.51 1.08 0.42 0.00 0.00 0.00 175.76 176.89 1yya s ILE 91 N 1.86 3.64 -0.01 0.00 1.01 0.10 -1.07 121.20 126.73 1yya s ILE 91 Ca -0.09 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.18 1yya s ILE 91 Cb -0.06 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1yya s ILE 91 CO -0.19 0.36 -0.05 0.68 0.00 0.00 0.00 174.94 175.74 1yya s VAL 92 N -0.97 0.45 -0.78 2.92 -7.23 -0.67 -3.12 120.40 110.99 1yya s VAL 92 Ca 0.45 -0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 1yya s VAL 92 Cb -0.31 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.22 1yya s VAL 92 CO 0.39 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 1yya n GLY 93 N 3.23 0.45 3.71 2.32 0.00 -1.26 -1.88 105.19 111.75 1yya n GLY 93 Ca -0.16 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 1yya n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1yya n HIS 94 N -3.48 2.04 -0.32 1.61 -0.00 -1.26 -4.37 115.22 109.43 1yya n HIS 94 Ca -0.09 0.46 0.14 0.00 -0.00 0.00 0.00 57.72 58.22 1yya n HIS 94 Cb 0.45 -2.34 0.32 0.00 -0.00 0.00 0.00 29.99 28.42 1yya n HIS 94 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1yya h SER 95 N 1.55 0.48 -0.35 0.26 0.87 -1.93 0.42 113.55 114.85 1yya h SER 95 Ca -0.49 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.18 1yya h SER 95 Cb 1.31 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.33 1yya h SER 95 CO 0.57 0.07 0.15 -0.33 -0.53 0.00 0.00 176.83 176.76 1yya h GLU 96 N 0.50 0.58 0.08 2.24 5.08 -1.99 0.06 114.58 121.13 1yya h GLU 96 Ca 0.58 -0.08 -0.25 0.00 -1.00 0.00 0.00 59.36 58.60 1yya h GLU 96 Cb 1.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1yya h GLU 96 CO -0.49 0.49 -1.20 0.00 -1.00 0.00 0.00 179.01 176.81 1yya h ARG 97 N 0.57 0.16 -0.38 2.33 3.08 -1.31 0.14 114.38 118.97 1yya h ARG 97 Ca 0.14 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 1yya h ARG 97 Cb 0.13 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1yya h ARG 97 CO -0.01 1.10 -0.16 0.00 -1.07 0.00 0.00 179.97 179.84 1yya h ARG 98 N 0.04 0.70 0.00 0.04 3.08 -0.80 -0.81 114.38 116.63 1yya h ARG 98 Ca -0.11 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.63 1yya h ARG 98 Cb 1.91 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.89 1yya h ARG 98 CO 0.17 0.82 -0.36 0.00 -1.07 0.00 0.00 179.97 179.52 1yya h ARG 99 N 0.63 0.00 0.00 0.04 3.08 -1.00 -3.07 114.38 114.06 1yya h ARG 99 Ca 0.10 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1yya h ARG 99 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1yya h ARG 99 CO 0.04 1.00 -0.60 1.88 -1.07 0.00 0.00 179.97 181.22 1yya h TYR 100 N -0.99 0.00 -0.00 3.04 0.05 -0.82 -3.36 116.97 114.89 1yya h TYR 100 Ca -0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.68 1yya h TYR 100 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 1yya h TYR 100 CO 0.23 0.18 0.00 0.72 -1.05 0.00 0.00 178.16 178.23 1yya n HIS 101 N -2.97 0.00 -2.42 4.88 8.25 -0.33 -5.00 115.22 117.64 1yya n HIS 101 Ca 0.01 -0.66 -0.14 0.00 -0.26 0.00 0.00 57.72 56.66 1yya n HIS 101 Cb 0.62 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.64 1yya n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yya n GLY 102 N -0.80 -0.47 3.71 -1.41 0.00 -1.10 -4.92 105.19 100.21 1yya n GLY 102 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1yya n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yya s GLU 103 N -5.01 4.28 0.41 1.61 2.02 -1.10 -4.99 118.70 115.93 1yya s GLU 103 Ca 0.00 2.15 0.05 0.00 0.02 0.00 0.00 54.97 57.19 1yya s GLU 103 Cb 0.00 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1yya s GLU 103 CO 0.00 -0.51 0.58 0.95 0.02 0.00 0.00 175.26 176.31 1yya s THR 104 N 1.31 3.57 0.24 3.63 -4.23 -1.26 -4.55 115.64 114.34 1yya s THR 104 Ca 0.66 -0.84 -0.06 0.00 -1.18 0.00 0.00 61.69 60.27 1yya s THR 104 Cb -0.38 -3.26 0.20 0.00 1.34 0.00 0.00 72.50 70.40 1yya s THR 104 CO 0.30 -0.13 1.85 0.44 -0.54 0.00 0.00 174.62 176.55 1yya h ASP 105 N 0.60 0.83 -0.88 3.99 3.32 -1.93 -0.90 116.42 121.45 1yya h ASP 105 Ca -0.44 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1yya h ASP 105 Cb 1.27 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 1yya h ASP 105 CO 0.52 0.54 0.50 0.00 -1.72 0.00 0.00 179.24 179.07 1yya h ALA 106 N 1.39 1.12 -0.40 3.45 0.00 -1.95 -0.97 119.26 121.90 1yya h ALA 106 Ca 0.36 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1yya h ALA 106 Cb 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1yya h ALA 106 CO -0.16 0.61 -0.11 1.25 0.00 0.00 0.00 179.25 180.85 1yya h LEU 107 N 1.22 0.79 -1.06 0.00 5.85 -1.75 -2.55 115.31 117.80 1yya h LEU 107 Ca 0.31 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1yya h LEU 107 Cb 0.00 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 1yya h LEU 107 CO -0.05 0.97 0.46 0.58 -0.34 0.00 0.00 178.44 180.06 1yya h VAL 108 N 0.59 1.23 -0.65 1.05 2.07 -0.82 -1.19 116.25 118.53 1yya h VAL 108 Ca 0.10 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1yya h VAL 108 Cb 0.63 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1yya h VAL 108 CO 0.04 0.25 0.31 0.00 0.02 0.00 0.00 177.57 178.19 1yya h ALA 109 N 1.39 0.84 -0.59 1.67 0.00 -1.04 -0.78 119.26 120.74 1yya h ALA 109 Ca 0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1yya h ALA 109 Cb -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1yya h ALA 109 CO -0.05 0.41 0.21 0.93 0.00 0.00 0.00 179.25 180.75 1yya h GLU 110 N 0.90 0.90 -0.67 0.00 4.39 -0.97 -0.81 114.58 118.32 1yya h GLU 110 Ca 0.22 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1yya h GLU 110 Cb 0.13 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1yya h GLU 110 CO -0.03 0.79 0.36 0.87 -1.16 0.00 0.00 179.01 179.84 1yya h LYS 111 N 0.83 0.95 -0.75 2.33 1.57 -0.95 -1.32 116.57 119.24 1yya h LYS 111 Ca 0.19 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1yya h LYS 111 Cb 0.25 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1yya h LYS 111 CO -0.01 0.72 0.48 0.00 -0.57 0.00 0.00 179.45 180.08 1yya h ALA 112 N 1.17 0.95 -0.82 3.86 0.00 -0.74 -1.93 119.26 121.75 1yya h ALA 112 Ca 0.24 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1yya h ALA 112 Cb 0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1yya h ALA 112 CO -0.04 0.39 0.37 0.87 0.00 0.00 0.00 179.25 180.84 1yya h LYS 113 N 1.02 1.20 -0.78 0.00 1.57 -0.54 -0.91 116.57 118.14 1yya h LYS 113 Ca 0.27 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1yya h LYS 113 Cb -0.09 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 31.97 1yya h LYS 113 CO -0.06 0.94 0.39 0.00 -0.57 0.00 0.00 179.45 180.15 1yya h ARG 114 N 1.18 1.11 -0.17 3.15 2.47 -0.77 -2.06 114.38 119.29 1yya h ARG 114 Ca 0.28 -0.15 -0.03 0.00 -1.26 0.00 0.00 59.98 58.82 1yya h ARG 114 Cb 0.15 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 1yya h ARG 114 CO -0.03 0.85 0.01 -0.07 0.56 0.00 0.00 179.97 181.29 1yya h LEU 115 N 1.09 0.30 -0.68 3.04 3.38 -0.93 -3.11 115.31 118.39 1yya h LEU 115 Ca 0.27 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1yya h LEU 115 Cb 0.09 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 1yya h LEU 115 CO -0.04 0.52 0.34 -0.07 0.09 0.00 0.00 178.44 179.28 1yya h LEU 116 N 0.06 0.45 -2.10 1.67 3.38 -0.98 -0.65 115.31 117.15 1yya h LEU 116 Ca 0.05 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1yya h LEU 116 Cb 0.36 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1yya h LEU 116 CO 0.01 0.27 0.11 -0.33 0.09 0.00 0.00 178.44 178.59 1yya h GLU 117 N 0.59 0.00 -0.49 1.13 5.08 -1.32 -0.81 114.58 118.77 1yya h GLU 117 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1yya h GLU 117 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1yya h GLU 117 CO -0.25 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.15 1yya n GLU 118 N -4.30 2.54 -1.09 2.33 -0.58 -0.52 -4.95 120.64 114.06 1yya n GLU 118 Ca 0.00 -2.34 -0.03 0.00 -0.42 0.00 0.00 57.16 54.37 1yya n GLU 118 Cb 0.24 -1.53 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 1yya n GLU 118 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yya n GLY 119 N 1.54 0.62 3.84 0.62 0.00 -0.31 -4.89 105.19 106.62 1yya n GLY 119 Ca 0.21 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 1yya n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yya s ILE 120 N -2.10 5.44 -0.26 -0.61 1.01 -0.37 -4.97 121.20 119.34 1yya s ILE 120 Ca 0.00 0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.60 1yya s ILE 120 Cb 0.00 -3.39 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 1yya s ILE 120 CO 0.00 0.58 0.82 -0.89 0.00 0.00 0.00 174.94 175.45 1yya s THR 121 N -0.70 4.82 0.34 2.92 2.01 -0.29 -3.55 115.64 121.19 1yya s THR 121 Ca 0.13 1.45 -0.26 0.00 0.31 0.00 0.00 61.69 63.32 1yya s THR 121 Cb -0.12 -4.13 -0.09 0.00 0.01 0.00 0.00 72.50 68.17 1yya s THR 121 CO 0.03 -0.13 1.06 -2.84 -0.69 0.00 0.00 174.62 172.04 1yya s PRO 122 N 2.89 4.39 -0.58 4.92 0.02 -1.26 -2.25 135.00 143.12 1yya s PRO 122 Ca 0.34 1.61 -0.05 0.00 0.02 0.00 0.00 61.00 62.93 1yya s PRO 122 Cb -0.15 -2.82 0.15 0.00 0.02 0.00 0.00 34.50 31.70 1yya s PRO 122 CO 0.09 0.03 0.41 0.42 -0.33 0.00 0.00 177.00 177.63 1yya s ILE 123 N -1.45 3.88 -0.25 2.83 1.01 -0.23 -1.59 121.20 125.40 1yya s ILE 123 Ca 0.52 -2.58 -0.23 0.00 0.00 0.00 0.00 60.65 58.35 1yya s ILE 123 Cb -0.26 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1yya s ILE 123 CO 0.33 -0.84 0.78 -0.22 0.00 0.00 0.00 174.94 174.98 1yya s LEU 124 N 0.38 4.08 -0.06 2.97 0.20 -0.00 -1.66 118.68 124.58 1yya s LEU 124 Ca 0.14 0.91 -0.15 0.00 0.69 0.00 0.00 54.13 55.72 1yya s LEU 124 Cb -0.21 -3.09 -0.05 0.00 -0.43 0.00 0.00 46.19 42.41 1yya s LEU 124 CO -0.04 -0.49 0.40 0.00 -0.29 0.00 0.00 176.35 175.93 1yya s VAL 126 N -0.44 0.14 0.00 0.00 -7.23 -0.57 -4.70 120.40 107.59 1yya s VAL 126 Ca 0.23 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 1yya s VAL 126 Cb -0.16 -0.43 0.00 0.00 0.56 0.00 0.00 36.38 36.35 1yya s VAL 126 CO 0.11 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1yya n GLY 127 N 1.40 2.47 3.91 2.32 0.00 -1.26 -1.11 105.19 112.93 1yya n GLY 127 Ca -0.23 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1yya n GLY 127 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1yya s GLU 128 N -1.69 3.61 0.67 1.61 1.03 -1.26 -4.58 118.70 118.09 1yya s GLU 128 Ca 0.00 -0.10 -0.11 0.00 0.03 0.00 0.00 54.97 54.79 1yya s GLU 128 Cb 0.00 -2.77 -0.01 0.00 -0.80 0.00 0.00 34.13 30.55 1yya s GLU 128 CO 0.00 0.36 1.06 -1.25 -1.33 0.00 0.00 175.26 174.11 1yya s PRO 129 N -3.11 3.14 0.24 -4.83 0.04 -1.26 -1.55 135.00 127.67 1yya s PRO 129 Ca 0.42 0.66 -0.05 0.00 0.04 0.00 0.00 61.00 62.06 1yya s PRO 129 Cb -0.11 -2.04 0.42 0.00 0.04 0.00 0.00 34.50 32.81 1yya s PRO 129 CO 0.27 -0.88 1.72 1.25 0.04 0.00 0.00 177.00 179.40 1yya h LEU 130 N -0.55 0.19 -0.81 -3.56 5.85 -1.97 -2.03 115.31 112.44 1yya h LEU 130 Ca -0.45 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.49 1yya h LEU 130 Cb 1.22 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.29 1yya h LEU 130 CO 0.62 0.07 0.45 -0.08 -0.34 0.00 0.00 178.44 179.16 1yya h GLU 131 N 0.38 0.73 -0.33 1.25 4.57 -1.99 0.42 114.58 119.61 1yya h GLU 131 Ca 0.39 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.43 1yya h GLU 131 Cb 0.60 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1yya h GLU 131 CO -0.42 0.48 -0.18 0.28 -1.18 0.00 0.00 179.01 178.00 1yya h VAL 132 N 0.75 1.29 -0.37 0.32 2.07 -1.76 -2.63 116.25 115.92 1yya h VAL 132 Ca 0.39 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1yya h VAL 132 Cb 0.38 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1yya h VAL 132 CO -0.26 0.42 0.25 -0.09 0.02 0.00 0.00 177.57 177.91 1yya h ARG 133 N 0.47 0.49 0.00 1.57 9.65 -0.81 -1.65 114.38 124.10 1yya h ARG 133 Ca 0.07 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 1yya h ARG 133 Cb 0.72 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1yya h ARG 133 CO 0.05 0.32 -0.11 0.93 2.80 0.00 0.00 179.97 183.96 1yya h GLU 134 N 0.50 0.00 -0.00 0.20 5.08 -0.87 -1.43 114.58 118.06 1yya h GLU 134 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1yya h GLU 134 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1yya h GLU 134 CO -0.03 0.11 -0.17 1.63 -1.00 0.00 0.00 179.01 179.56 1yya n LYS 135 N -3.89 0.40 -0.72 2.33 5.02 -0.93 -4.91 118.16 115.44 1yya n LYS 135 Ca -0.02 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1yya n LYS 135 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1yya n LYS 135 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yya n GLY 136 N 1.38 0.59 1.41 0.72 0.00 -0.54 -4.96 105.19 103.78 1yya n GLY 136 Ca 0.11 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.76 1yya n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yya n GLU 137 N -2.72 3.58 -0.14 1.61 -0.58 -0.66 -4.69 120.64 117.03 1yya n GLU 137 Ca 0.00 -2.80 -0.03 0.00 -0.42 0.00 0.00 57.16 53.91 1yya n GLU 137 Cb 0.00 -1.82 0.04 0.00 -0.57 0.00 0.00 31.44 29.09 1yya n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1yya h ALA 138 N 3.59 0.43 0.10 0.62 0.00 -1.82 -1.50 119.26 120.67 1yya h ALA 138 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1yya h ALA 138 Cb 1.38 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1yya h ALA 138 CO 0.21 -0.38 -0.05 0.28 0.00 0.00 0.00 179.25 179.31 1yya h VAL 139 N 0.13 1.07 -0.92 0.00 2.07 -1.95 -1.46 116.25 115.20 1yya h VAL 139 Ca 0.22 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 67.06 1yya h VAL 139 Cb 0.32 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1yya h VAL 139 CO -0.36 0.17 0.60 -0.65 0.02 0.00 0.00 177.57 177.35 1yya h PRO 140 N -0.47 1.12 -0.14 1.57 0.11 -1.88 -0.59 132.00 131.72 1yya h PRO 140 Ca -0.01 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1yya h PRO 140 Cb 0.39 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1yya h PRO 140 CO 0.02 0.74 0.06 -0.92 -0.21 0.00 0.00 178.00 177.69 1yya h TYR 141 N 1.15 0.22 -0.52 0.65 5.03 -1.27 -1.50 116.97 120.73 1yya h TYR 141 Ca 0.37 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.59 1yya h TYR 141 Cb 0.01 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.20 1yya h TYR 141 CO -0.01 0.30 0.03 1.15 -1.32 0.00 0.00 178.16 178.30 1yya h THR 142 N 0.07 1.25 -0.15 1.81 2.02 -0.98 -1.72 112.91 115.22 1yya h THR 142 Ca 0.05 -1.01 -0.13 0.00 0.77 0.00 0.00 66.41 66.09 1yya h THR 142 Cb 0.17 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1yya h THR 142 CO -0.00 0.36 -0.48 -0.07 0.37 0.00 0.00 175.52 175.70 1yya h LEU 143 N 0.81 0.40 -0.68 2.58 3.38 -1.02 -0.61 115.31 120.17 1yya h LEU 143 Ca 0.16 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1yya h LEU 143 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1yya h LEU 143 CO 0.02 0.82 -0.26 -0.09 0.09 0.00 0.00 178.44 179.02 1yya h ARG 144 N 0.30 0.75 -0.42 1.13 2.43 -0.96 -0.74 114.38 116.87 1yya h ARG 144 Ca 0.02 -0.32 -0.12 0.00 -0.81 0.00 0.00 59.98 58.75 1yya h ARG 144 Cb 0.95 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1yya h ARG 144 CO 0.08 0.93 -0.22 0.37 -1.51 0.00 0.00 179.97 179.61 1yya h GLN 145 N 0.65 0.89 0.17 0.20 4.15 -1.09 -1.80 115.11 118.28 1yya h GLN 145 Ca 0.08 -0.40 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 1yya h GLN 145 Cb 0.77 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.44 1yya h GLN 145 CO 0.06 1.05 -0.08 1.25 -1.93 0.00 0.00 178.83 179.18 1yya h LEU 146 N 0.71 -0.19 -0.76 -2.39 5.85 -0.83 -0.56 115.31 117.13 1yya h LEU 146 Ca 0.09 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1yya h LEU 146 Cb 0.79 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1yya h LEU 146 CO 0.07 -0.06 0.47 0.03 -0.34 0.00 0.00 178.44 178.60 1yya h ARG 147 N -0.31 1.02 -0.57 1.25 3.08 -1.13 -1.76 114.38 115.96 1yya h ARG 147 Ca -0.02 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1yya h ARG 147 Cb 0.24 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1yya h ARG 147 CO 0.04 0.71 0.05 0.78 -1.07 0.00 0.00 179.97 180.48 1yya h GLY 148 N 1.04 1.02 1.98 0.04 0.00 -1.21 -2.63 103.07 103.30 1yya h GLY 148 Ca 0.27 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1yya h GLY 148 CO -0.05 0.62 0.00 1.44 0.00 0.00 0.00 176.54 178.55 1yya n SER 149 N -4.21 0.00 -0.62 0.19 7.64 -0.23 -3.03 113.62 113.36 1yya n SER 149 Ca 0.03 0.47 0.06 0.00 1.01 0.00 0.00 58.87 60.44 1yya n SER 149 Cb 0.29 -0.49 0.14 0.00 -1.01 0.00 0.00 64.21 63.15 1yya n SER 149 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1yya n LEU 150 N -1.49 2.79 -4.66 -3.43 4.77 -0.70 -3.51 117.00 110.77 1yya n LEU 150 Ca 0.06 -1.85 -0.42 0.00 -0.03 0.00 0.00 56.01 53.77 1yya n LEU 150 Cb 0.28 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1yya n LEU 150 CO 0.22 0.68 1.59 -0.70 -1.33 0.00 0.00 177.39 177.85 1yya s GLU 151 N -0.99 4.14 0.00 3.23 2.56 -1.09 -1.09 118.70 125.46 1yya s GLU 151 Ca 0.22 2.62 0.00 0.00 0.00 0.00 0.00 54.97 57.81 1yya s GLU 151 Cb 0.12 -4.08 0.00 0.00 2.00 0.00 0.00 34.13 32.17 1yya s GLU 151 CO 0.16 -0.94 0.00 0.41 -0.56 0.00 0.00 175.26 174.33 1yya n GLY 152 N 4.50 0.70 3.56 -1.50 0.00 -1.26 -4.82 105.19 106.37 1yya n GLY 152 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1yya n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yya s VAL 153 N -3.01 4.86 -0.48 1.61 1.01 -0.25 -4.98 120.40 119.14 1yya s VAL 153 Ca 0.00 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1yya s VAL 153 Cb 0.00 -4.12 0.15 0.00 0.00 0.00 0.00 36.38 32.41 1yya s VAL 153 CO 0.00 -0.40 0.30 -1.61 0.00 0.00 0.00 175.10 173.40 1yya s GLU 154 N 2.78 1.45 0.73 2.72 0.41 -1.26 -5.01 118.70 120.52 1yya s GLU 154 Ca 0.25 -2.28 -0.14 0.00 -0.41 0.00 0.00 54.97 52.38 1yya s GLU 154 Cb -0.14 -2.39 0.04 0.00 -1.78 0.00 0.00 34.13 29.86 1yya s GLU 154 CO 0.16 -1.22 1.17 -2.14 -0.49 0.00 0.00 175.26 172.74 1yya s PRO 155 N -0.04 2.19 0.36 0.39 0.02 -1.26 -4.92 135.00 131.73 1yya s PRO 155 Ca 0.22 1.63 0.08 0.00 0.02 0.00 0.00 61.00 62.94 1yya s PRO 155 Cb -0.16 -1.85 0.69 0.00 0.02 0.00 0.00 34.50 33.20 1yya s PRO 155 CO -0.06 -1.77 1.88 -1.00 -0.33 0.00 0.00 177.00 175.71 1yya h PRO 156 N -0.41 0.33 -2.87 5.54 0.13 -1.95 -3.46 132.00 129.31 1yya h PRO 156 Ca -0.47 -0.08 0.07 0.00 -0.87 0.00 0.00 66.00 64.66 1yya h PRO 156 Cb 1.28 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1yya h PRO 156 CO 0.50 0.46 0.30 0.20 -0.23 0.00 0.00 178.00 179.22 1yya s GLY 157 N -4.00 -0.01 0.61 1.56 0.00 -1.26 -5.04 107.32 99.18 1yya s GLY 157 Ca -0.06 -0.33 0.37 0.00 0.00 0.00 0.00 44.72 44.70 1yya s GLY 157 CO 0.75 -0.00 2.23 -0.56 0.00 0.00 0.00 173.10 175.51 1yya h PRO 158 N 2.00 0.00 0.00 2.90 0.13 -1.90 -1.64 132.00 133.49 1yya h PRO 158 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1yya h PRO 158 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1yya h PRO 158 CO 0.28 0.03 0.00 1.05 -0.23 0.00 0.00 178.00 179.12 1yya h GLU 159 N 0.00 0.00 -0.63 0.86 9.09 -1.94 -3.11 114.58 118.85 1yya h GLU 159 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1yya h GLU 159 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1yya h GLU 159 CO 0.00 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.06 1yya n ALA 160 N -1.86 2.87 -3.59 1.06 0.00 -0.62 -4.87 120.51 113.50 1yya n ALA 160 Ca 0.03 -1.26 -0.12 0.00 0.00 0.00 0.00 53.44 52.09 1yya n ALA 160 Cb 0.31 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 1yya n ALA 160 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1yya s LEU 161 N -1.47 0.42 -0.04 0.00 2.96 -1.18 -4.06 118.68 115.31 1yya s LEU 161 Ca 0.42 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.98 1yya s LEU 161 Cb 0.26 0.92 -0.00 0.00 0.50 0.00 0.00 46.19 47.86 1yya s LEU 161 CO 0.22 -0.16 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.25 1yya s VAL 162 N 1.04 1.28 -0.07 1.68 1.01 -0.62 -4.17 120.40 120.55 1yya s VAL 162 Ca -0.07 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1yya s VAL 162 Cb -0.08 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1yya s VAL 162 CO -0.07 0.37 -0.07 -0.63 0.00 0.00 0.00 175.10 174.70 1yya s ILE 163 N 0.11 3.65 -0.16 2.22 -1.09 -0.86 -0.82 121.20 124.25 1yya s ILE 163 Ca -0.04 -0.50 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 1yya s ILE 163 Cb -0.11 -2.49 0.03 0.00 -1.58 0.00 0.00 42.46 38.31 1yya s ILE 163 CO 0.02 0.60 -0.14 0.00 -1.23 0.00 0.00 174.94 174.19 1yya s ALA 164 N -0.81 1.93 -0.37 9.38 0.00 0.31 -0.20 121.76 132.00 1yya s ALA 164 Ca 0.12 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.90 1yya s ALA 164 Cb -0.11 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1yya s ALA 164 CO 0.01 -0.48 0.51 -0.47 0.00 0.00 0.00 175.76 175.33 1yya s TYR 165 N 1.45 3.16 -0.34 0.00 5.04 0.33 -1.52 117.35 125.47 1yya s TYR 165 Ca 0.04 0.06 0.01 0.00 -2.44 0.00 0.00 57.07 54.73 1yya s TYR 165 Cb -0.14 -2.96 0.11 0.00 0.35 0.00 0.00 41.96 39.32 1yya s TYR 165 CO -0.10 -0.60 0.12 -1.21 -1.34 0.00 0.00 175.55 172.42 1yya s GLU 166 N 2.39 0.94 0.25 4.97 2.02 -0.27 -1.09 118.70 127.92 1yya s GLU 166 Ca 0.18 -1.38 -0.30 0.00 0.02 0.00 0.00 54.97 53.48 1yya s GLU 166 Cb -0.16 -2.25 -0.11 0.00 0.10 0.00 0.00 34.13 31.72 1yya s GLU 166 CO 0.14 -1.01 1.54 -1.25 0.02 0.00 0.00 175.26 174.70 1yya s PRO 167 N 1.26 4.19 0.28 0.39 0.04 -1.26 -4.18 135.00 135.72 1yya s PRO 167 Ca 0.11 2.45 0.01 0.00 0.04 0.00 0.00 61.00 63.61 1yya s PRO 167 Cb -0.19 -3.08 0.55 0.00 0.04 0.00 0.00 34.50 31.83 1yya s PRO 167 CO -0.18 -0.56 1.82 0.28 0.04 0.00 0.00 177.00 178.41 1yya h VAL 168 N 3.56 0.88 0.00 -0.36 2.07 -1.53 -1.03 116.25 119.84 1yya h VAL 168 Ca -0.46 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1yya h VAL 168 Cb 1.22 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1yya h VAL 168 CO 0.82 0.17 0.00 -2.67 0.02 0.00 0.00 177.57 175.90 1yya n TRP 169 N -4.66 0.00 0.95 1.57 4.27 -1.26 -2.20 117.44 116.11 1yya n TRP 169 Ca 0.19 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.90 1yya n TRP 169 Cb 0.37 -0.39 0.02 0.00 -1.36 0.00 0.00 31.31 29.95 1yya n TRP 169 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1yya n ALA 170 N -1.39 3.26 -2.61 -1.67 0.00 -0.39 -4.67 120.51 113.03 1yya n ALA 170 Ca 0.04 -0.64 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 1yya n ALA 170 Cb 0.12 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 1yya n ALA 170 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1yya s ILE 171 N -2.27 4.63 -0.09 0.00 1.01 -0.94 -1.88 121.20 121.66 1yya s ILE 171 Ca 0.20 1.29 0.00 0.00 0.00 0.00 0.00 60.65 62.14 1yya s ILE 171 Cb 0.18 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1yya s ILE 171 CO 0.48 -0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1yya n GLY 172 N 4.23 0.16 0.01 6.18 0.00 -1.26 -4.81 105.19 109.70 1yya n GLY 172 Ca 0.07 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1yya n GLY 172 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yya n THR 173 N -2.19 0.04 -0.19 2.61 -2.24 -1.26 -4.96 114.28 106.09 1yya n THR 173 Ca -0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1yya n THR 173 Cb 0.42 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1yya n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yya n GLY 174 N 1.38 1.92 3.35 3.38 0.00 -1.26 -4.96 105.19 108.99 1yya n GLY 174 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 1yya n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yya s LYS 175 N -0.24 3.99 0.58 1.61 1.02 -1.26 -5.00 119.74 120.43 1yya s LYS 175 Ca 0.00 -2.90 -0.15 0.00 0.02 0.00 0.00 55.97 52.94 1yya s LYS 175 Cb 0.00 -4.56 -0.05 0.00 -0.52 0.00 0.00 37.83 32.70 1yya s LYS 175 CO 0.00 -1.31 1.02 0.54 -0.92 0.00 0.00 175.35 174.68 1yya s ASN 176 N 1.75 6.20 0.52 2.83 4.22 -1.26 -4.09 114.94 125.11 1yya s ASN 176 Ca 0.28 1.60 -0.20 0.00 -2.14 0.00 0.00 52.86 52.40 1yya s ASN 176 Cb -0.09 -2.51 -0.07 0.00 1.28 0.00 0.00 41.25 39.86 1yya s ASN 176 CO -0.08 -0.88 1.11 0.00 -2.04 0.00 0.00 177.10 175.21 1yya s ALA 177 N -2.74 2.78 0.65 3.54 0.00 -1.26 -4.99 121.76 119.74 1yya s ALA 177 Ca 0.59 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 53.17 1yya s ALA 177 Cb -0.12 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 1yya s ALA 177 CO 0.40 -0.62 1.11 0.95 0.00 0.00 0.00 175.76 177.60 1yya s THR 178 N -1.80 3.23 0.33 0.00 -4.23 -1.26 -4.79 115.64 107.11 1yya s THR 178 Ca 0.70 0.58 0.07 0.00 -1.18 0.00 0.00 61.69 61.86 1yya s THR 178 Cb -0.22 -3.11 0.31 0.00 1.34 0.00 0.00 72.50 70.82 1yya s THR 178 CO 0.26 -0.34 1.84 -0.65 -0.54 0.00 0.00 174.62 175.18 1yya h PRO 179 N 0.11 0.76 -0.46 3.99 0.11 -1.94 -0.61 132.00 133.96 1yya h PRO 179 Ca -0.47 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1yya h PRO 179 Cb 1.25 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1yya h PRO 179 CO 0.54 0.50 0.04 0.93 -0.21 0.00 0.00 178.00 179.81 1yya h GLU 180 N 0.78 0.78 -0.22 1.05 3.07 -1.94 0.30 114.58 118.41 1yya h GLU 180 Ca 0.50 -0.23 -0.14 0.00 -0.50 0.00 0.00 59.36 58.99 1yya h GLU 180 Cb 0.72 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 1yya h GLU 180 CO -0.26 0.81 -0.45 -0.44 -1.40 0.00 0.00 179.01 177.27 1yya h ASP 181 N 0.63 0.59 -0.05 1.42 3.32 -1.70 -1.34 116.42 119.29 1yya h ASP 181 Ca 0.13 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1yya h ASP 181 Cb 0.44 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1yya h ASP 181 CO 0.02 0.95 0.01 0.00 -1.72 0.00 0.00 179.24 178.50 1yya h ALA 182 N 1.07 0.07 -0.53 3.45 0.00 -0.99 -2.09 119.26 120.24 1yya h ALA 182 Ca 0.03 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1yya h ALA 182 Cb 0.96 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1yya h ALA 182 CO 0.09 -0.31 0.16 1.49 0.00 0.00 0.00 179.25 180.67 1yya h GLU 183 N -0.13 0.31 -0.88 0.00 4.57 -0.82 0.04 114.58 117.68 1yya h GLU 183 Ca 0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1yya h GLU 183 Cb 0.23 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1yya h GLU 183 CO -0.00 0.20 0.57 0.00 -1.18 0.00 0.00 179.01 178.60 1yya h ALA 184 N 1.38 1.12 -0.36 2.92 0.00 -1.08 -0.92 119.26 122.31 1yya h ALA 184 Ca 0.26 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1yya h ALA 184 Cb 0.32 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1yya h ALA 184 CO -0.29 0.55 -0.26 1.98 0.00 0.00 0.00 179.25 181.22 1yya h MET 185 N 1.20 0.82 -0.42 0.00 1.85 -0.65 -2.67 114.93 115.06 1yya h MET 185 Ca 0.32 -0.39 -0.04 0.00 -0.61 0.00 0.00 59.70 58.98 1yya h MET 185 Cb -0.10 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 31.90 1yya h MET 185 CO -0.07 1.03 0.11 0.45 -0.40 0.00 0.00 176.91 178.03 1yya h HIS 186 N 0.61 0.63 -0.43 1.39 -0.00 -0.66 0.08 115.15 116.77 1yya h HIS 186 Ca 0.07 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 1yya h HIS 186 Cb 0.83 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 1yya h HIS 186 CO 0.06 0.54 0.21 1.96 -0.00 0.00 0.00 177.93 180.70 1yya h GLN 187 N 0.61 0.63 -0.36 2.45 4.20 -1.03 0.11 115.11 121.71 1yya h GLN 187 Ca 0.14 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1yya h GLN 187 Cb 0.22 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1yya h GLN 187 CO -0.00 0.55 0.15 0.00 -0.67 0.00 0.00 178.83 178.85 1yya h ALA 188 N 1.05 0.47 -0.48 3.87 0.00 -1.05 -1.13 119.26 122.00 1yya h ALA 188 Ca 0.15 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1yya h ALA 188 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1yya h ALA 188 CO -0.02 0.06 0.31 0.82 0.00 0.00 0.00 179.25 180.43 1yya h ILE 189 N 0.44 1.12 -0.50 0.00 2.04 -0.73 -1.33 117.51 118.55 1yya h ILE 189 Ca 0.12 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 1yya h ILE 189 Cb 0.17 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1yya h ILE 189 CO -0.01 0.12 0.04 -0.09 0.00 0.00 0.00 178.15 178.20 1yya h ARG 190 N 0.64 0.81 -0.52 2.37 2.43 -0.57 -0.46 114.38 119.09 1yya h ARG 190 Ca 0.18 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1yya h ARG 190 Cb -0.07 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1yya h ARG 190 CO -0.04 0.79 0.03 -0.22 -1.51 0.00 0.00 179.97 179.02 1yya h LYS 191 N 0.76 0.86 -0.30 0.20 3.64 -0.84 -0.16 116.57 120.72 1yya h LYS 191 Ca 0.15 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1yya h LYS 191 Cb 0.41 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1yya h LYS 191 CO 0.01 0.84 -0.23 0.00 -2.27 0.00 0.00 179.45 177.81 1yya h ALA 192 N 1.23 1.04 -0.18 5.00 0.00 -0.56 -2.11 119.26 123.67 1yya h ALA 192 Ca 0.16 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1yya h ALA 192 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1yya h ALA 192 CO 0.02 0.58 -0.44 -0.07 0.00 0.00 0.00 179.25 179.33 1yya h LEU 193 N 0.51 0.47 -0.65 0.00 3.38 -0.51 -2.09 115.31 116.43 1yya h LEU 193 Ca 0.08 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1yya h LEU 193 Cb 0.67 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1yya h LEU 193 CO 0.05 0.85 0.08 -1.28 0.09 0.00 0.00 178.44 178.23 1yya h SER 194 N 0.36 1.05 0.39 -0.43 0.87 -0.65 0.33 113.55 115.48 1yya h SER 194 Ca 0.03 -0.27 -0.09 0.00 -1.23 0.00 0.00 61.79 60.23 1yya h SER 194 Cb 0.92 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1yya h SER 194 CO 0.08 1.06 -0.41 -0.33 -0.53 0.00 0.00 176.83 176.70 1yya h GLU 195 N 1.01 0.02 0.21 2.24 5.08 -1.24 0.43 114.58 122.33 1yya h GLU 195 Ca 0.19 -0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 58.20 1yya h GLU 195 Cb 0.47 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.74 1yya h GLU 195 CO 0.02 0.43 -1.68 -0.09 -1.00 0.00 0.00 179.01 176.69 1yya h ARG 196 N 0.02 0.44 0.00 2.33 9.65 -0.85 -3.41 114.38 122.56 1yya h ARG 196 Ca -0.00 -0.74 0.00 0.00 -1.10 0.00 0.00 59.98 58.13 1yya h ARG 196 Cb 0.73 0.28 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 1yya h ARG 196 CO 0.05 1.35 0.00 0.66 2.80 0.00 0.00 179.97 184.84 1yya n TYR 197 N -3.62 0.00 0.00 2.20 4.01 0.11 -5.09 117.16 114.77 1yya n TYR 197 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1yya n TYR 197 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 1yya n TYR 197 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yya n GLY 198 N 0.05 1.77 0.28 2.72 0.00 0.15 -4.47 105.19 105.70 1yya n GLY 198 Ca 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 1yya n GLY 198 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1yya h GLU 199 N 0.00 0.95 -0.47 1.61 4.57 -1.89 -1.30 114.58 118.04 1yya h GLU 199 Ca 0.00 -0.20 0.04 0.00 -1.18 0.00 0.00 59.36 58.02 1yya h GLU 199 Cb 0.00 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 1yya h GLU 199 CO 0.00 0.84 0.24 0.00 -1.18 0.00 0.00 179.01 178.90 1yya h ALA 200 N 1.07 0.60 0.43 2.92 0.00 -1.95 -0.01 119.26 122.32 1yya h ALA 200 Ca 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1yya h ALA 200 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1yya h ALA 200 CO -0.01 -0.11 -0.21 0.35 0.00 0.00 0.00 179.25 179.27 1yya h PHE 201 N 0.47 -0.54 -0.81 0.00 3.04 -1.75 -3.24 116.94 114.12 1yya h PHE 201 Ca 0.21 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.24 1yya h PHE 201 Cb 0.11 0.18 -0.06 0.00 2.56 0.00 0.00 35.95 38.75 1yya h PHE 201 CO -0.10 -0.23 0.53 0.00 -2.02 0.00 0.00 178.31 176.49 1yya h ALA 202 N -0.38 1.73 0.00 2.41 0.00 -1.05 -1.11 119.26 120.86 1yya h ALA 202 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yya h ALA 202 Cb 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1yya h ALA 202 CO 0.10 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 1yya n SER 203 N -4.51 0.19 -0.13 0.00 3.41 -0.03 -2.80 113.62 109.75 1yya n SER 203 Ca 0.13 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.34 1yya n SER 203 Cb 0.31 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 1yya n SER 203 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1yya n ARG 204 N -1.71 2.80 -2.46 4.33 1.74 -0.44 -4.84 116.66 116.07 1yya n ARG 204 Ca 0.03 -0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 56.34 1yya n ARG 204 Cb 0.18 -1.04 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 1yya n ARG 204 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yya s VAL 205 N -1.63 4.13 -0.11 1.55 1.01 -1.07 -4.70 120.40 119.58 1yya s VAL 205 Ca 0.06 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.30 1yya s VAL 205 Cb 0.08 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1yya s VAL 205 CO 0.33 0.13 1.00 -0.13 0.00 0.00 0.00 175.10 176.42 1yya s ARG 206 N 0.97 4.42 -0.28 2.72 0.52 -1.26 -4.98 118.95 121.05 1yya s ARG 206 Ca 0.57 1.37 -0.01 0.00 -0.52 0.00 0.00 55.73 57.14 1yya s ARG 206 Cb -0.28 -3.54 0.04 0.00 0.52 0.00 0.00 34.95 31.69 1yya s ARG 206 CO 0.29 -0.31 -0.03 0.42 0.02 0.00 0.00 175.30 175.70 1yya s ILE 207 N 1.99 2.86 0.20 1.52 1.01 -1.26 -2.02 121.20 125.51 1yya s ILE 207 Ca 0.48 -1.30 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 1yya s ILE 207 Cb -0.18 -2.59 -0.06 0.00 0.01 0.00 0.00 42.46 39.64 1yya s ILE 207 CO 0.18 -0.01 0.45 -0.76 0.00 0.00 0.00 174.94 174.81 1yya s LEU 208 N 1.26 4.19 -0.06 2.97 1.43 0.72 -0.87 118.68 128.30 1yya s LEU 208 Ca -0.04 0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 53.69 1yya s LEU 208 Cb -0.19 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1yya s LEU 208 CO -0.02 -0.05 0.06 -0.47 0.23 0.00 0.00 176.35 176.10 1yya s TYR 209 N -1.83 3.30 0.02 0.29 5.04 -0.63 -0.52 117.35 123.03 1yya s TYR 209 Ca 0.43 0.27 -0.00 0.00 -2.44 0.00 0.00 57.07 55.32 1yya s TYR 209 Cb -0.11 -1.80 -0.02 0.00 0.35 0.00 0.00 41.96 40.37 1yya s TYR 209 CO 0.26 0.56 -0.02 0.20 -1.34 0.00 0.00 175.55 175.20 1yya s GLY 210 N -1.21 0.26 0.00 8.97 0.00 -0.25 -1.23 107.32 113.86 1yya s GLY 210 Ca 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1yya s GLY 210 CO 0.07 -0.74 0.00 0.61 0.00 0.00 0.00 173.10 173.04 1yya n GLY 211 N 1.39 1.65 3.04 0.20 0.00 -1.26 -4.01 105.19 106.21 1yya n GLY 211 Ca -0.23 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 1yya n GLY 211 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yya n SER 212 N 0.00 -5.60 -4.73 1.61 7.64 -0.79 -4.25 113.62 107.51 1yya n SER 212 Ca 0.00 -0.35 -0.41 0.00 1.01 0.00 0.00 58.87 59.12 1yya n SER 212 Cb 0.00 -4.32 -0.04 0.00 -1.01 0.00 0.00 64.21 58.84 1yya n SER 212 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1yya s VAL 213 N -3.18 4.25 0.24 0.44 1.01 -1.26 -4.65 120.40 117.26 1yya s VAL 213 Ca 0.38 1.83 -0.11 0.00 0.00 0.00 0.00 61.98 64.07 1yya s VAL 213 Cb -0.17 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1yya s VAL 213 CO 0.46 0.26 0.43 0.54 0.00 0.00 0.00 175.10 176.79 1yya s ASN 214 N 0.20 -0.04 0.57 3.32 2.20 -1.26 -4.42 114.94 115.52 1yya s ASN 214 Ca 0.50 -1.01 0.28 0.00 -0.94 0.00 0.00 52.86 51.69 1yya s ASN 214 Cb -0.26 0.56 1.51 0.00 -2.00 0.00 0.00 41.25 41.06 1yya s ASN 214 CO 0.31 -1.10 1.98 -0.65 -2.94 0.00 0.00 177.10 174.70 1yya h PRO 215 N 2.30 0.00 0.00 3.55 0.11 -1.94 -0.94 132.00 135.08 1yya h PRO 215 Ca -0.27 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 1yya h PRO 215 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1yya h PRO 215 CO 0.38 0.00 -0.29 0.87 -0.21 0.00 0.00 178.00 178.75 1yya h LYS 216 N 0.00 0.00 -0.00 1.05 1.57 -1.98 -3.37 116.57 113.83 1yya h LYS 216 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1yya h LYS 216 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1yya h LYS 216 CO -0.00 0.17 -0.02 0.27 -0.57 0.00 0.00 179.45 179.29 1yya n ASN 217 N -3.10 0.32 -0.16 0.86 0.23 -0.83 -4.80 115.26 107.80 1yya n ASN 217 Ca 0.03 -0.66 -0.08 0.00 -0.53 0.00 0.00 54.58 53.33 1yya n ASN 217 Cb 0.61 0.71 0.01 0.00 -2.08 0.00 0.00 39.78 39.03 1yya n ASN 217 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1yya h PHE 218 N 0.04 0.64 -0.35 -2.53 -0.00 -1.37 -2.60 116.94 110.77 1yya h PHE 218 Ca 0.00 -0.02 0.06 0.00 -0.00 0.00 0.00 57.97 58.01 1yya h PHE 218 Cb 0.02 -0.20 -0.05 0.00 -0.00 0.00 0.00 35.95 35.71 1yya h PHE 218 CO 0.00 0.49 0.02 0.00 -0.00 0.00 0.00 178.31 178.81 1yya h ALA 219 N 1.09 0.33 -0.45 2.41 0.00 -1.86 0.77 119.26 121.56 1yya h ALA 219 Ca 0.16 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1yya h ALA 219 Cb 0.07 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1yya h ALA 219 CO -0.02 -0.39 -0.05 -0.44 0.00 0.00 0.00 179.25 178.35 1yya h ASP 220 N 0.12 0.74 -0.31 0.00 3.32 -1.88 -1.40 116.42 117.00 1yya h ASP 220 Ca 0.17 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1yya h ASP 220 Cb 0.22 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1yya h ASP 220 CO -0.27 0.84 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.01 1yya h LEU 221 N 0.70 0.55 -1.65 1.55 3.38 -1.01 -2.88 115.31 115.96 1yya h LEU 221 Ca 0.13 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1yya h LEU 221 Cb 0.50 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1yya h LEU 221 CO 0.03 0.74 -0.13 0.25 0.09 0.00 0.00 178.44 179.41 1yya h LEU 222 N 0.35 0.00 -1.22 1.67 5.85 -0.70 -2.57 115.31 118.70 1yya h LEU 222 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1yya h LEU 222 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1yya h LEU 222 CO 0.02 0.13 0.00 0.77 -0.34 0.00 0.00 178.44 179.02 1yya h SER 223 N 0.00 0.00 -3.05 1.25 4.64 -1.02 -3.44 113.55 111.93 1yya h SER 223 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1yya h SER 223 Cb 0.48 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.60 1yya h SER 223 CO 0.02 0.00 0.76 -0.04 -0.87 0.00 0.00 176.83 176.69 1yya s MET 224 N -3.55 4.30 0.37 4.77 -1.94 -0.97 -4.91 119.30 117.37 1yya s MET 224 Ca 0.02 2.16 0.16 0.00 -1.71 0.00 0.00 55.69 56.32 1yya s MET 224 Cb 0.09 -3.20 1.03 0.00 2.01 0.00 0.00 34.83 34.76 1yya s MET 224 CO 0.48 -0.45 1.76 -1.35 -0.01 0.00 0.00 175.02 175.44 1yya h PRO 225 N 6.43 0.45 -0.44 2.03 0.11 -1.90 -2.18 132.00 136.50 1yya h PRO 225 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1yya h PRO 225 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1yya h PRO 225 CO 0.86 0.29 0.00 0.09 -0.21 0.00 0.00 178.00 179.03 1yya n ASN 226 N -4.70 3.50 -4.54 -2.05 3.02 -1.26 -4.84 115.26 104.39 1yya n ASN 226 Ca 0.26 -1.98 -0.40 0.00 -0.03 0.00 0.00 54.58 52.42 1yya n ASN 226 Cb 0.83 -0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 39.61 1yya n ASN 226 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1yya s VAL 227 N -1.37 5.28 -1.02 2.41 1.01 -0.82 -4.65 120.40 121.24 1yya s VAL 227 Ca 0.39 -0.16 0.17 0.00 0.00 0.00 0.00 61.98 62.38 1yya s VAL 227 Cb 0.22 -3.72 0.65 0.00 0.00 0.00 0.00 36.38 33.54 1yya s VAL 227 CO 0.31 -0.00 1.57 0.47 0.00 0.00 0.00 175.10 177.44 1yya n ASP 228 N 5.13 4.45 0.00 3.32 8.00 -0.05 -4.74 116.55 132.67 1yya n ASP 228 Ca -0.12 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 52.93 1yya n ASP 228 Cb 0.50 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1yya n ASP 228 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yya n GLY 229 N 0.89 0.28 3.05 0.44 0.00 -1.26 -1.84 105.19 106.75 1yya n GLY 229 Ca 0.24 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 1yya n GLY 229 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yya s GLY 230 N 0.00 0.21 -0.43 -0.02 0.00 -0.81 -1.60 107.32 104.67 1yya s GLY 230 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 44.72 44.07 1yya s GLY 230 CO 0.00 -0.65 0.28 -2.27 0.00 0.00 0.00 173.10 170.46 1yya s LEU 231 N -1.73 5.22 -0.22 0.66 2.96 -0.37 -1.45 118.68 123.76 1yya s LEU 231 Ca -0.11 -1.48 -0.11 0.00 -0.22 0.00 0.00 54.13 52.20 1yya s LEU 231 Cb -0.06 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1yya s LEU 231 CO -0.02 -0.55 0.20 -0.69 -1.32 0.00 0.00 176.35 173.97 1yya s VAL 232 N 1.45 5.34 0.00 1.68 1.01 0.46 -4.10 120.40 126.25 1yya s VAL 232 Ca 0.03 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1yya s VAL 232 Cb -0.23 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1yya s VAL 232 CO 0.03 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1yya n GLY 233 N 4.01 0.42 0.37 4.51 0.00 -1.26 0.58 105.19 113.83 1yya n GLY 233 Ca -0.14 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.08 1yya n GLY 233 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yya h GLY 234 N 0.00 1.64 0.76 -0.02 0.00 -1.90 -0.29 103.07 103.25 1yya h GLY 234 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1yya h GLY 234 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 176.54 176.34 1yya n ALA 235 N -2.38 2.28 0.82 3.60 0.00 -1.26 -2.56 120.51 121.02 1yya n ALA 235 Ca 0.26 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.69 1yya n ALA 235 Cb 0.80 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1yya n ALA 235 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yya n SER 236 N -0.88 1.61 -0.05 0.00 3.41 -0.12 -3.42 113.62 114.17 1yya n SER 236 Ca 0.12 -1.31 -0.16 0.00 -0.26 0.00 0.00 58.87 57.27 1yya n SER 236 Cb 0.06 0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 64.51 1yya n SER 236 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1yya h LEU 237 N 1.68 0.97 -9.22 1.04 3.38 -1.61 -3.43 115.31 108.12 1yya h LEU 237 Ca 0.00 -0.57 -0.58 0.00 0.09 0.00 0.00 57.88 56.81 1yya h LEU 237 Cb 0.59 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 1yya h LEU 237 CO 0.00 1.38 -0.00 -1.61 0.09 0.00 0.00 178.44 178.29 1yya s GLU 238 N -3.95 4.28 0.24 1.13 0.41 -1.26 -4.97 118.70 114.58 1yya s GLU 238 Ca -0.10 0.56 -0.06 0.00 -0.41 0.00 0.00 54.97 54.96 1yya s GLU 238 Cb 0.09 -3.51 0.34 0.00 -1.78 0.00 0.00 34.13 29.28 1yya s GLU 238 CO 0.90 -0.04 1.83 1.25 -0.49 0.00 0.00 175.26 178.70 1yya h LEU 239 N 7.44 0.71 -1.29 1.80 5.85 -1.93 -1.17 115.31 126.72 1yya h LEU 239 Ca -0.36 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1yya h LEU 239 Cb 1.17 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1yya h LEU 239 CO 0.76 0.44 0.33 -0.08 -0.34 0.00 0.00 178.44 179.54 1yya h GLU 240 N 0.84 0.81 -0.23 1.25 4.57 -1.96 0.69 114.58 120.54 1yya h GLU 240 Ca 0.37 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.39 1yya h GLU 240 Cb 0.25 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1yya h GLU 240 CO -0.20 0.59 -0.17 1.03 -1.18 0.00 0.00 179.01 179.08 1yya h SER 241 N 0.82 0.55 -0.53 1.04 0.87 -1.58 -1.45 113.55 113.27 1yya h SER 241 Ca 0.21 -0.44 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 1yya h SER 241 Cb 0.02 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1yya h SER 241 CO -0.04 0.87 0.27 0.15 -0.53 0.00 0.00 176.83 177.55 1yya h PHE 242 N 0.23 0.75 -0.76 2.24 3.57 -0.78 -1.56 116.94 120.63 1yya h PHE 242 Ca 0.05 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1yya h PHE 242 Cb 0.69 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1yya h PHE 242 CO 0.07 0.58 0.35 -0.07 -2.23 0.00 0.00 178.31 177.01 1yya h LEU 243 N 0.71 1.00 -0.97 0.59 3.38 -0.83 -1.11 115.31 118.07 1yya h LEU 243 Ca 0.18 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1yya h LEU 243 Cb 0.10 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1yya h LEU 243 CO -0.03 0.85 0.39 0.00 0.09 0.00 0.00 178.44 179.75 1yya h ALA 244 N 1.30 1.20 -0.46 1.53 0.00 -0.76 -0.43 119.26 121.64 1yya h ALA 244 Ca 0.26 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1yya h ALA 244 Cb 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1yya h ALA 244 CO -0.03 0.62 -0.18 -0.07 0.00 0.00 0.00 179.25 179.58 1yya h LEU 245 N 1.12 0.93 -0.85 0.00 3.38 -0.69 -2.15 115.31 117.04 1yya h LEU 245 Ca 0.27 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1yya h LEU 245 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1yya h LEU 245 CO -0.04 1.09 -0.13 -0.07 0.09 0.00 0.00 178.44 179.38 1yya h LEU 246 N 0.80 0.70 -0.84 1.67 3.38 -0.59 -1.92 115.31 118.52 1yya h LEU 246 Ca 0.11 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1yya h LEU 246 Cb 0.73 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1yya h LEU 246 CO 0.06 0.86 -0.27 0.03 0.09 0.00 0.00 178.44 179.21 1yya h ARG 247 N 0.64 0.56 -0.62 1.13 3.08 -0.90 -0.85 114.38 117.42 1yya h ARG 247 Ca 0.11 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1yya h ARG 247 Cb 0.59 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1yya h ARG 247 CO 0.04 0.78 0.15 0.82 -1.07 0.00 0.00 179.97 180.69 1yya h ILE 248 N 0.49 1.25 -0.31 2.04 2.04 -1.05 -2.63 117.51 119.35 1yya h ILE 248 Ca 0.07 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 64.90 1yya h ILE 248 Cb 0.72 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1yya h ILE 248 CO 0.06 0.35 -0.22 0.00 0.00 0.00 0.00 178.15 178.33 1yya h ALA 249 N 1.05 1.04 0.00 1.87 0.00 -1.01 -3.48 119.26 118.72 1yya h ALA 249 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1yya h ALA 249 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1yya h ALA 249 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.24