#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkq s LEU 1 N 0.00 3.46 0.01 -0.35 2.96 -0.36 -4.86 118.68 119.54 2pkq s LEU 1 Ca 0.00 1.75 -0.30 0.00 -0.22 0.00 0.00 54.13 55.35 2pkq s LEU 1 Cb 0.00 -3.51 -0.07 0.00 0.50 0.00 0.00 46.19 43.11 2pkq s LEU 1 CO 0.00 -1.90 1.55 -0.54 -1.32 0.00 0.00 176.35 174.14 2pkq s LYS 2 N 6.18 4.23 0.13 1.98 1.02 -1.26 -1.58 119.74 130.43 2pkq s LYS 2 Ca 0.95 2.15 0.10 0.00 0.02 0.00 0.00 55.97 59.19 2pkq s LYS 2 Cb -0.30 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 2pkq s LYS 2 CO 0.35 -0.70 -0.20 0.08 -0.92 0.00 0.00 175.35 173.96 2pkq s VAL 3 N 2.85 2.67 -0.08 3.17 1.01 0.21 -2.14 120.40 128.08 2pkq s VAL 3 Ca 0.70 -1.64 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2pkq s VAL 3 Cb -0.35 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 33.82 2pkq s VAL 3 CO 0.29 0.06 -0.08 0.00 0.00 0.00 0.00 175.10 175.37 2pkq s ALA 4 N -1.23 1.15 -0.37 5.51 0.00 0.62 -1.88 121.76 125.56 2pkq s ALA 4 Ca 0.18 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 51.59 2pkq s ALA 4 Cb -0.10 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2pkq s ALA 4 CO 0.09 -0.16 0.43 0.42 0.00 0.00 0.00 175.76 176.54 2pkq s ILE 5 N 1.22 5.10 -0.30 0.00 1.01 -0.75 -0.33 121.20 127.15 2pkq s ILE 5 Ca -0.05 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 2pkq s ILE 5 Cb -0.14 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.43 2pkq s ILE 5 CO -0.02 -0.23 0.05 0.21 0.00 0.00 0.00 174.94 174.94 2pkq s ASN 6 N 1.77 5.00 0.00 3.58 2.47 -1.01 -0.67 114.94 126.09 2pkq s ASN 6 Ca 0.14 -0.97 0.00 0.00 0.42 0.00 0.00 52.86 52.45 2pkq s ASN 6 Cb -0.16 -1.81 0.00 0.00 -1.45 0.00 0.00 41.25 37.83 2pkq s ASN 6 CO 0.13 -0.23 0.00 0.61 -3.72 0.00 0.00 177.10 173.88 2pkq n GLY 7 N 4.77 0.77 2.41 1.21 0.00 0.18 -0.57 105.19 113.96 2pkq n GLY 7 Ca -0.14 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2pkq n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2pkq n PHE 8 N 0.00 0.59 -0.43 1.61 7.35 -1.24 -3.80 117.46 121.54 2pkq n PHE 8 Ca 0.00 -1.30 0.00 0.00 -0.76 0.00 0.00 57.45 55.39 2pkq n PHE 8 Cb 0.00 -1.31 0.00 0.00 0.35 0.00 0.00 39.48 38.52 2pkq n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2pkq n GLY 9 N 3.20 1.56 0.12 7.13 0.00 -1.26 -4.57 105.19 111.36 2pkq n GLY 9 Ca 0.32 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 2pkq n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pkq h ARG 10 N 0.00 0.30 0.00 1.61 2.47 -1.91 -0.46 114.38 116.39 2pkq h ARG 10 Ca 0.00 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.58 2pkq h ARG 10 Cb 0.00 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2pkq h ARG 10 CO 0.00 0.30 -0.47 0.82 0.56 0.00 0.00 179.97 181.18 2pkq h ILE 11 N 0.23 0.94 0.08 2.04 1.08 -1.90 0.16 117.51 120.13 2pkq h ILE 11 Ca 0.07 -1.93 -0.00 0.00 -0.39 0.00 0.00 64.86 62.61 2pkq h ILE 11 Cb 0.09 2.19 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 2pkq h ILE 11 CO -0.01 0.46 -0.04 1.23 -0.69 0.00 0.00 178.15 179.10 2pkq h GLY 12 N 2.68 -0.11 0.68 5.37 0.00 -1.57 -1.75 103.07 108.37 2pkq h GLY 12 Ca -0.00 0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 2pkq h GLY 12 CO 0.06 -0.04 -0.48 3.21 0.00 0.00 0.00 176.54 179.29 2pkq h ARG 13 N -0.28 0.33 -0.50 4.80 3.08 -1.09 -2.22 114.38 118.50 2pkq h ARG 13 Ca -0.01 -0.35 0.15 0.00 0.07 0.00 0.00 59.98 59.83 2pkq h ARG 13 Cb 0.24 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2pkq h ARG 13 CO 0.02 1.04 0.44 -0.97 -1.07 0.00 0.00 179.97 179.43 2pkq h ASN 14 N -0.23 0.00 0.07 7.04 -0.73 -1.01 -0.62 115.58 120.10 2pkq h ASN 14 Ca -0.06 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.11 2pkq h ASN 14 Cb 1.20 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.80 2pkq h ASN 14 CO 0.09 0.00 -0.04 0.15 -0.37 0.00 0.00 177.43 177.27 2pkq h PHE 15 N 0.00 -0.09 -0.73 0.67 3.57 -1.22 -1.62 116.94 117.52 2pkq h PHE 15 Ca 0.24 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.90 2pkq h PHE 15 Cb 1.12 0.03 -0.12 0.00 2.79 0.00 0.00 35.95 39.77 2pkq h PHE 15 CO 0.00 0.25 0.13 1.25 -2.23 0.00 0.00 178.31 177.71 2pkq h LEU 16 N -0.99 -0.09 -0.29 0.59 6.46 -0.60 0.36 115.31 120.74 2pkq h LEU 16 Ca -0.01 0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 57.81 2pkq h LEU 16 Cb 0.38 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 2pkq h LEU 16 CO 0.02 -0.08 -0.21 0.03 -0.62 0.00 0.00 178.44 177.57 2pkq h ARG 17 N 0.21 0.66 -0.99 1.25 3.08 -1.28 -1.28 114.38 116.04 2pkq h ARG 17 Ca 0.41 -0.32 0.19 0.00 0.07 0.00 0.00 59.98 60.33 2pkq h ARG 17 Cb 0.72 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.67 2pkq h ARG 17 CO -0.55 0.92 0.61 0.00 -1.07 0.00 0.00 179.97 179.88 2pkq h TRP 18 N 0.71 -0.47 -1.34 0.00 7.01 -0.05 -3.15 115.95 118.66 2pkq h TRP 18 Ca 0.55 -0.01 0.39 0.00 2.11 0.00 0.00 58.89 61.93 2pkq h TRP 18 Cb 0.92 0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 28.08 2pkq h TRP 18 CO -0.00 -0.14 1.06 1.25 -2.79 0.00 0.00 178.44 177.81 2pkq h HIS 18 N -0.87 0.00 0.00 2.65 2.76 -0.50 0.37 115.15 119.56 2pkq h HIS 18 Ca -0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2pkq h HIS 18 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.50 2pkq h HIS 18 CO 0.02 0.00 -0.18 0.41 -1.30 0.00 0.00 177.93 176.88 2pkq n GLY 19 N -1.79 -1.58 3.81 5.26 0.00 -1.09 -4.87 105.19 104.93 2pkq n GLY 19 Ca 0.30 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2pkq n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pkq s ARG 20 N -3.09 4.23 -0.23 1.61 1.81 0.13 -5.05 118.95 118.36 2pkq s ARG 20 Ca 0.10 1.19 -0.10 0.00 -1.72 0.00 0.00 55.73 55.21 2pkq s ARG 20 Cb 0.14 -2.27 -0.05 0.00 -0.45 0.00 0.00 34.95 32.32 2pkq s ARG 20 CO 0.62 -0.03 0.13 0.15 -0.68 0.00 0.00 175.30 175.49 2pkq s LYS 21 N -3.00 4.01 -0.71 3.54 -0.14 -1.26 -4.56 119.74 117.62 2pkq s LYS 21 Ca 0.61 -0.30 -0.03 0.00 -1.36 0.00 0.00 55.97 54.89 2pkq s LYS 21 Cb -0.12 -3.46 0.00 0.00 -1.68 0.00 0.00 37.83 32.57 2pkq s LYS 21 CO 0.16 0.07 0.67 -0.25 -0.76 0.00 0.00 175.35 175.24 2pkq n ASP 22 N 4.23 -7.39 -4.57 2.83 8.00 -1.26 -4.94 116.55 113.44 2pkq n ASP 22 Ca -0.15 -0.12 -0.41 0.00 0.71 0.00 0.00 54.79 54.82 2pkq n ASP 22 Cb 0.52 -4.77 -0.08 0.00 -0.02 0.00 0.00 41.12 36.77 2pkq n ASP 22 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2pkq s SER 23 N -2.92 6.33 0.30 -2.24 0.15 -1.26 -4.93 113.70 109.13 2pkq s SER 23 Ca 0.04 0.11 0.14 0.00 0.70 0.00 0.00 55.95 56.94 2pkq s SER 23 Cb -0.01 -2.26 0.76 0.00 -1.71 0.00 0.00 66.02 62.80 2pkq s SER 23 CO 0.77 -0.40 1.34 -2.65 1.20 0.00 0.00 173.24 173.50 2pkq n PRO 24 N 5.64 0.09 -3.02 5.44 -0.02 -1.26 -4.46 135.00 137.41 2pkq n PRO 24 Ca -0.05 0.57 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 2pkq n PRO 24 Cb 0.49 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 2pkq n PRO 24 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pkq s LEU 25 N -4.08 3.93 -0.26 2.45 2.01 -1.26 -1.23 118.68 120.24 2pkq s LEU 25 Ca -0.02 1.06 -0.01 0.00 0.01 0.00 0.00 54.13 55.17 2pkq s LEU 25 Cb 0.04 -3.91 0.14 0.00 0.01 0.00 0.00 46.19 42.47 2pkq s LEU 25 CO 0.13 -0.31 0.40 -0.62 1.01 0.00 0.00 176.35 176.96 2pkq s ASP 26 N -2.98 0.13 0.14 2.29 2.15 -0.62 -4.57 116.67 113.21 2pkq s ASP 26 Ca 0.50 0.14 -0.30 0.00 0.43 0.00 0.00 52.55 53.32 2pkq s ASP 26 Cb -0.10 1.21 -0.07 0.00 -0.30 0.00 0.00 42.92 43.66 2pkq s ASP 26 CO 0.28 -0.31 1.02 -0.69 -0.17 0.00 0.00 175.17 175.31 2pkq s VAL 27 N 2.57 4.22 0.00 1.11 1.01 -1.26 0.63 120.40 128.69 2pkq s VAL 27 Ca 0.13 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.98 2pkq s VAL 27 Cb -0.15 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.03 2pkq s VAL 27 CO -0.20 0.30 0.00 1.33 0.00 0.00 0.00 175.10 176.54 2pkq n VAL 28 N 2.60 0.00 -4.01 2.92 0.24 -0.79 -4.90 118.33 114.40 2pkq n VAL 28 Ca 0.02 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.21 2pkq n VAL 28 Cb 0.48 -0.25 -0.12 0.00 -1.47 0.00 0.00 33.84 32.48 2pkq n VAL 28 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2pkq s VAL 29 N -1.24 0.26 -0.06 3.34 0.11 -1.25 -1.38 120.40 120.19 2pkq s VAL 29 Ca 0.00 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.25 2pkq s VAL 29 Cb 0.00 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 2pkq s VAL 29 CO 0.00 -0.36 -0.07 -0.63 -3.33 0.00 0.00 175.10 170.71 2pkq s ILE 30 N -1.17 0.74 -0.17 7.04 1.01 0.24 -1.81 121.20 127.08 2pkq s ILE 30 Ca -0.11 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2pkq s ILE 30 Cb -0.08 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.67 2pkq s ILE 30 CO -0.00 0.27 -0.19 0.21 0.00 0.00 0.00 174.94 175.23 2pkq s ASN 31 N 0.93 3.04 -0.08 3.58 2.47 0.16 -0.92 114.94 124.12 2pkq s ASN 31 Ca -0.11 -0.62 -0.21 0.00 0.42 0.00 0.00 52.86 52.34 2pkq s ASN 31 Cb -0.15 -1.42 0.05 0.00 -1.45 0.00 0.00 41.25 38.28 2pkq s ASN 31 CO 0.01 -0.00 0.50 -0.62 -3.72 0.00 0.00 177.10 173.26 2pkq s ASP 32 N 1.29 -0.45 0.46 -4.21 -1.08 -1.17 -0.65 116.67 110.86 2pkq s ASP 32 Ca 0.04 0.58 0.16 0.00 -0.52 0.00 0.00 52.55 52.82 2pkq s ASP 32 Cb -0.13 0.61 0.88 0.00 -1.46 0.00 0.00 42.92 42.82 2pkq s ASP 32 CO -0.12 -0.43 1.42 0.00 0.52 0.00 0.00 175.17 176.57 2pkq h THR 33 N 3.70 0.00 -3.32 1.71 1.03 -1.93 -3.41 112.91 110.69 2pkq h THR 33 Ca -0.28 0.00 -0.56 0.00 -0.01 0.00 0.00 66.41 65.56 2pkq h THR 33 Cb 1.16 0.36 -0.04 0.00 -1.07 0.00 0.00 68.15 68.57 2pkq h THR 33 CO 0.33 0.00 -0.15 -0.83 -0.01 0.00 0.00 175.52 174.86 2pkq s GLY 34 N -3.26 2.34 1.08 2.99 0.00 -1.26 -5.02 107.32 104.19 2pkq s GLY 34 Ca -0.02 -0.28 -0.15 0.00 0.00 0.00 0.00 44.72 44.28 2pkq s GLY 34 CO 0.15 -0.09 1.10 -0.32 0.00 0.00 0.00 173.10 173.93 2pkq s GLY 36 N -2.08 1.56 0.41 0.20 0.00 -1.26 -4.69 107.32 101.46 2pkq s GLY 36 Ca 0.41 -0.56 0.15 0.00 0.00 0.00 0.00 44.72 44.73 2pkq s GLY 36 CO 0.20 0.15 1.88 -2.08 0.00 0.00 0.00 173.10 173.25 2pkq h VAL 37 N -2.17 0.74 0.26 1.40 2.07 -1.90 -1.51 116.25 115.14 2pkq h VAL 37 Ca -0.52 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2pkq h VAL 37 Cb 1.32 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2pkq h VAL 37 CO 0.50 0.08 -0.21 0.11 0.02 0.00 0.00 177.57 178.08 2pkq h LYS 38 N 0.46 -0.44 -0.90 1.57 1.57 -1.95 -1.38 116.57 115.50 2pkq h LYS 38 Ca 0.44 0.03 0.24 0.00 -1.87 0.00 0.00 60.65 59.49 2pkq h LYS 38 Cb 0.99 0.10 -0.16 0.00 0.08 0.00 0.00 32.23 33.24 2pkq h LYS 38 CO -0.17 -0.29 0.12 1.96 -0.57 0.00 0.00 179.45 180.50 2pkq h GLN 39 N -0.46 0.10 -0.52 3.15 1.08 -1.64 0.27 115.11 117.09 2pkq h GLN 39 Ca -0.03 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 2pkq h GLN 39 Cb 0.38 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 2pkq h GLN 39 CO 0.00 0.06 0.05 0.00 -0.95 0.00 0.00 178.83 177.99 2pkq h ALA 40 N 1.85 0.70 -0.80 3.87 0.00 -1.19 -2.97 119.26 120.73 2pkq h ALA 40 Ca 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2pkq h ALA 40 Cb 1.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2pkq h ALA 40 CO -0.77 0.48 0.00 0.45 0.00 0.00 0.00 179.25 179.41 2pkq n SER 41 N -4.34 0.00 0.00 0.00 2.88 -0.00 -2.62 113.62 109.53 2pkq n SER 41 Ca 0.02 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 2pkq n SER 41 Cb 0.29 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2pkq n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2pkq n HIS 42 N -1.60 0.00 0.17 0.66 -0.00 -0.67 0.04 115.22 113.81 2pkq n HIS 42 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 2pkq n HIS 42 Cb 0.00 -0.32 0.52 0.00 -0.00 0.00 0.00 29.99 30.19 2pkq n HIS 42 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2pkq n LEU 43 N -2.63 0.51 0.02 0.27 4.77 -1.12 0.17 117.00 118.99 2pkq n LEU 43 Ca 0.00 0.73 -0.08 0.00 -0.03 0.00 0.00 56.01 56.63 2pkq n LEU 43 Cb 0.00 -0.78 -0.13 0.00 -2.33 0.00 0.00 43.42 40.18 2pkq n LEU 43 CO 0.00 -0.88 -0.20 0.25 -1.33 0.00 0.00 177.39 175.23 2pkq h LEU 44 N 0.00 0.00 0.05 2.23 5.85 -0.14 -3.38 115.31 119.92 2pkq h LEU 44 Ca 0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 2pkq h LEU 44 Cb 0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2pkq h LEU 44 CO 0.00 0.99 -0.93 0.50 -0.34 0.00 0.00 178.44 178.66 2pkq h LYS 45 N 0.00 0.11 -4.47 1.25 1.63 0.30 -3.41 116.57 111.98 2pkq h LYS 45 Ca -0.15 -0.19 -0.71 0.00 -0.85 0.00 0.00 60.65 58.74 2pkq h LYS 45 Cb 1.89 0.07 -0.29 0.00 -0.60 0.00 0.00 32.23 33.30 2pkq h LYS 45 CO 0.10 1.09 -0.49 0.71 -3.45 0.00 0.00 179.45 177.42 2pkq s TYR 46 N -2.37 3.35 -0.09 1.91 2.02 0.13 0.48 117.35 122.78 2pkq s TYR 46 Ca -0.22 -1.61 0.01 0.00 -0.37 0.00 0.00 57.07 54.89 2pkq s TYR 46 Cb 0.02 -2.93 -0.02 0.00 -0.40 0.00 0.00 41.96 38.63 2pkq s TYR 46 CO 0.70 -0.85 -0.12 0.34 -1.57 0.00 0.00 175.55 174.05 2pkq s ASP 47 N 2.05 4.16 0.00 2.29 3.68 -1.25 -4.47 116.67 123.13 2pkq s ASP 47 Ca 0.03 -0.22 0.29 0.00 2.13 0.00 0.00 52.55 54.78 2pkq s ASP 47 Cb -0.23 -1.26 1.46 0.00 -1.45 0.00 0.00 42.92 41.45 2pkq s ASP 47 CO 0.01 0.27 2.01 -1.20 0.13 0.00 0.00 175.17 176.39 2pkq n SER 48 N 2.86 0.00 -0.00 -0.34 7.64 -1.26 -1.35 113.62 121.17 2pkq n SER 48 Ca -0.18 -0.10 -0.00 0.00 1.01 0.00 0.00 58.87 59.60 2pkq n SER 48 Cb 0.52 -0.30 -0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2pkq n SER 48 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2pkq n ILE 49 N -1.30 0.02 0.90 0.44 5.41 -1.26 -4.68 119.36 118.89 2pkq n ILE 49 Ca 0.13 -0.01 0.11 0.00 1.00 0.00 0.00 62.75 63.98 2pkq n ILE 49 Cb 0.24 -0.74 -0.01 0.00 -0.71 0.00 0.00 39.64 38.42 2pkq n ILE 49 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2pkq n LEU 50 N -2.27 0.78 -0.17 1.39 4.77 -1.26 -5.00 117.00 115.24 2pkq n LEU 50 Ca -0.00 -0.29 0.02 0.00 -0.03 0.00 0.00 56.01 55.71 2pkq n LEU 50 Cb 0.51 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 2pkq n LEU 50 CO 0.00 0.18 -0.06 0.61 -1.33 0.00 0.00 177.39 176.79 2pkq n GLY 51 N 1.47 -2.29 3.56 -0.72 0.00 -0.45 -4.85 105.19 101.91 2pkq n GLY 51 Ca 0.04 -1.43 -0.50 0.00 0.00 0.00 0.00 46.02 44.13 2pkq n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pkq n THR 52 N -2.54 0.94 -2.46 2.61 -1.04 -1.26 -3.81 114.28 106.72 2pkq n THR 52 Ca -0.01 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.05 61.35 2pkq n THR 52 Cb 0.08 -0.69 -0.03 0.00 -1.82 0.00 0.00 70.33 67.87 2pkq n THR 52 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2pkq s PHE 53 N -0.27 3.35 -0.99 -1.42 5.36 0.18 -4.94 117.98 119.24 2pkq s PHE 53 Ca 0.74 1.30 -0.22 0.00 -0.96 0.00 0.00 56.93 57.78 2pkq s PHE 53 Cb -0.89 -3.39 0.07 0.00 -0.34 0.00 0.00 43.02 38.46 2pkq s PHE 53 CO 0.53 -1.18 1.36 0.34 -1.46 0.00 0.00 175.22 174.81 2pkq s ASP 54 N 1.25 6.52 0.00 6.13 2.15 -1.26 -4.82 116.67 126.64 2pkq s ASP 54 Ca 0.57 -1.58 0.00 0.00 0.43 0.00 0.00 52.55 51.97 2pkq s ASP 54 Cb -0.27 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 2pkq s ASP 54 CO 0.26 -1.40 0.00 0.00 -0.17 0.00 0.00 175.17 173.86 2pkq n ALA 55 N 8.28 0.00 -2.57 3.66 0.00 -1.26 -5.11 120.51 123.51 2pkq n ALA 55 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.31 2pkq n ALA 55 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 2pkq n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pkq s ASP 56 N 0.00 6.50 -0.35 0.00 2.15 -1.26 -4.95 116.67 118.76 2pkq s ASP 56 Ca 0.00 0.16 0.01 0.00 0.43 0.00 0.00 52.55 53.16 2pkq s ASP 56 Cb 0.00 -2.41 0.09 0.00 -0.30 0.00 0.00 42.92 40.31 2pkq s ASP 56 CO 0.00 -0.86 0.08 -0.69 -0.17 0.00 0.00 175.17 173.53 2pkq s VAL 57 N 3.30 2.65 0.30 1.11 1.01 -1.26 -1.43 120.40 126.08 2pkq s VAL 57 Ca 0.32 -2.09 0.09 0.00 0.00 0.00 0.00 61.98 60.30 2pkq s VAL 57 Cb -0.12 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2pkq s VAL 57 CO 0.21 -0.52 0.02 -1.59 0.00 0.00 0.00 175.10 173.21 2pkq s LYS 58 N 1.03 2.20 -1.37 2.72 -2.85 -0.86 -4.94 119.74 115.67 2pkq s LYS 58 Ca 0.06 -1.57 -0.07 0.00 -1.00 0.00 0.00 55.97 53.39 2pkq s LYS 58 Cb -0.20 -2.07 0.09 0.00 -2.06 0.00 0.00 37.83 33.59 2pkq s LYS 58 CO -0.06 0.24 2.36 0.25 0.10 0.00 0.00 175.35 178.25 2pkq n THR 59 N -0.94 4.85 -2.28 3.79 -2.24 -1.26 -0.53 114.28 115.66 2pkq n THR 59 Ca -0.05 -4.02 -0.42 0.00 -2.27 0.00 0.00 64.05 57.29 2pkq n THR 59 Cb 0.60 -2.24 -0.02 0.00 -2.10 0.00 0.00 70.33 66.57 2pkq n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkq s ALA 60 N -0.15 2.85 0.00 6.98 0.00 -1.24 -4.83 121.76 125.38 2pkq s ALA 60 Ca 0.53 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2pkq s ALA 60 Cb 0.16 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2pkq s ALA 60 CO -0.07 -2.76 0.00 0.41 0.00 0.00 0.00 175.76 173.34 2pkq n GLY 60 N 5.26 1.01 0.02 0.00 0.00 -1.25 -3.16 105.19 107.06 2pkq n GLY 60 Ca 0.16 -2.17 0.09 0.00 0.00 0.00 0.00 46.02 44.10 2pkq n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkq n ASP 61 N 0.00 0.31 -2.65 1.61 8.00 -1.26 -4.42 116.55 118.14 2pkq n ASP 61 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 2pkq n ASP 61 Cb 0.00 1.86 0.04 0.00 -0.02 0.00 0.00 41.12 43.00 2pkq n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2pkq n SER 62 N -2.25 2.33 -3.65 -2.24 7.64 -1.26 -4.76 113.62 109.43 2pkq n SER 62 Ca -0.06 -2.45 -0.05 0.00 1.01 0.00 0.00 58.87 57.32 2pkq n SER 62 Cb 0.58 -0.45 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 2pkq n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pkq s ALA 63 N -3.73 -1.78 0.04 -0.43 0.00 -1.25 -1.15 121.76 113.47 2pkq s ALA 63 Ca 0.32 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 2pkq s ALA 63 Cb 0.35 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 2pkq s ALA 63 CO -0.02 -0.90 -0.02 0.96 0.00 0.00 0.00 175.76 175.77 2pkq s ILE 64 N -3.13 0.19 -0.03 0.00 -4.36 0.68 -3.63 121.20 110.91 2pkq s ILE 64 Ca 0.10 -1.55 0.07 0.00 -0.26 0.00 0.00 60.65 59.00 2pkq s ILE 64 Cb -0.01 -1.18 -0.02 0.00 1.25 0.00 0.00 42.46 42.51 2pkq s ILE 64 CO -0.02 -0.86 -0.23 -0.55 0.24 0.00 0.00 174.94 173.52 2pkq s SER 65 N -2.52 3.26 -0.34 4.36 0.15 0.31 -1.28 113.70 117.63 2pkq s SER 65 Ca 0.01 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.25 2pkq s SER 65 Cb 0.03 -0.52 0.11 0.00 -1.71 0.00 0.00 66.02 63.92 2pkq s SER 65 CO -0.08 0.31 0.12 -0.69 1.20 0.00 0.00 173.24 174.10 2pkq s VAL 66 N -0.56 1.30 -1.74 4.45 1.01 -0.66 -2.03 120.40 122.16 2pkq s VAL 66 Ca 0.08 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.21 2pkq s VAL 66 Cb -0.11 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2pkq s VAL 66 CO -0.00 -0.70 0.00 0.47 0.00 0.00 0.00 175.10 174.87 2pkq n ASP 67 N 4.45 -5.63 0.00 3.32 9.92 -0.52 -2.31 116.55 125.79 2pkq n ASP 67 Ca 0.01 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 2pkq n ASP 67 Cb 0.40 -4.68 0.00 0.00 -0.64 0.00 0.00 41.12 36.20 2pkq n ASP 67 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pkq n GLY 68 N -0.96 3.01 3.68 0.44 0.00 -1.26 -5.02 105.19 105.09 2pkq n GLY 68 Ca -0.23 -0.82 -0.50 0.00 0.00 0.00 0.00 46.02 44.47 2pkq n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2pkq n LYS 69 N 0.00 2.03 -3.53 1.61 0.00 -0.98 -4.92 118.16 112.37 2pkq n LYS 69 Ca 0.00 0.74 -0.35 0.00 0.00 0.00 0.00 58.31 58.71 2pkq n LYS 69 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 35.03 32.40 2pkq n LYS 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2pkq s VAL 70 N 4.07 5.04 -0.00 3.15 1.01 -1.26 -1.66 120.40 130.76 2pkq s VAL 70 Ca 0.94 0.52 0.00 0.00 0.00 0.00 0.00 61.98 63.44 2pkq s VAL 70 Cb -0.75 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2pkq s VAL 70 CO 0.54 0.26 -0.01 -0.63 0.00 0.00 0.00 175.10 175.26 2pkq s ILE 71 N -1.43 0.12 0.17 2.22 1.01 -0.41 -4.86 121.20 118.02 2pkq s ILE 71 Ca 0.35 -0.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.77 2pkq s ILE 71 Cb -0.14 -0.11 -0.07 0.00 0.01 0.00 0.00 42.46 42.14 2pkq s ILE 71 CO 0.18 0.04 0.62 -0.54 0.00 0.00 0.00 174.94 175.25 2pkq s LYS 72 N 0.04 4.12 -0.18 2.79 1.02 -0.48 -0.23 119.74 126.81 2pkq s LYS 72 Ca -0.00 0.67 0.01 0.00 0.02 0.00 0.00 55.97 56.67 2pkq s LYS 72 Cb -0.01 -2.95 0.03 0.00 -0.52 0.00 0.00 37.83 34.37 2pkq s LYS 72 CO -0.00 0.47 -0.16 0.08 -0.92 0.00 0.00 175.35 174.81 2pkq s VAL 73 N -1.44 1.89 0.39 3.17 1.01 -0.30 0.81 120.40 125.92 2pkq s VAL 73 Ca 0.39 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2pkq s VAL 73 Cb -0.16 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.44 2pkq s VAL 73 CO 0.20 0.40 0.10 1.33 0.00 0.00 0.00 175.10 177.13 2pkq n VAL 74 N 4.65 0.00 -3.06 2.92 0.24 -0.10 -4.50 118.33 118.48 2pkq n VAL 74 Ca -0.18 -1.71 0.00 0.00 -2.04 0.00 0.00 64.34 60.40 2pkq n VAL 74 Cb 0.49 0.18 -0.00 0.00 -1.47 0.00 0.00 33.84 33.03 2pkq n VAL 74 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2pkq s SER 75 N -3.17 -1.33 -0.13 -1.34 0.01 -1.26 -3.05 113.70 103.43 2pkq s SER 75 Ca 0.08 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2pkq s SER 75 Cb -0.01 1.71 0.02 0.00 0.21 0.00 0.00 66.02 67.95 2pkq s SER 75 CO 0.05 -0.13 -0.11 -1.81 0.41 0.00 0.00 173.24 171.65 2pkq s ASP 76 N 1.67 2.44 0.00 2.44 1.01 -1.26 -4.96 116.67 118.00 2pkq s ASP 76 Ca 0.18 -0.40 0.07 0.00 0.71 0.00 0.00 52.55 53.12 2pkq s ASP 76 Cb -0.02 -1.02 0.33 0.00 1.01 0.00 0.00 42.92 43.22 2pkq s ASP 76 CO -0.08 -0.08 1.16 0.54 0.21 0.00 0.00 175.17 176.92 2pkq n ARG 77 N 4.84 0.05 -3.99 8.23 1.74 -1.26 -4.16 116.66 122.10 2pkq n ARG 77 Ca -0.15 0.30 -0.31 0.00 -0.77 0.00 0.00 57.85 56.93 2pkq n ARG 77 Cb 0.50 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 2pkq n ARG 77 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2pkq s ASN 78 N -2.80 4.03 0.17 0.55 3.84 -1.26 -5.05 114.94 114.42 2pkq s ASN 78 Ca 0.05 -1.23 -0.25 0.00 0.21 0.00 0.00 52.86 51.64 2pkq s ASN 78 Cb 0.05 -1.31 0.05 0.00 -0.55 0.00 0.00 41.25 39.48 2pkq s ASN 78 CO 0.12 -0.21 1.57 -0.65 -2.79 0.00 0.00 177.10 175.14 2pkq h PRO 79 N 7.89 -0.22 -0.88 0.43 0.11 -1.89 -2.88 132.00 134.56 2pkq h PRO 79 Ca -0.19 0.01 0.29 0.00 0.11 0.00 0.00 66.00 66.22 2pkq h PRO 79 Cb 1.06 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 2pkq h PRO 79 CO 0.43 -0.15 0.58 1.33 -0.21 0.00 0.00 178.00 179.99 2pkq n VAL 80 N -5.41 -0.11 0.04 3.15 0.24 -1.21 0.13 118.33 115.16 2pkq n VAL 80 Ca 0.02 0.98 -0.18 0.00 -2.04 0.00 0.00 64.34 63.11 2pkq n VAL 80 Cb 0.35 -1.61 -0.08 0.00 -1.47 0.00 0.00 33.84 31.03 2pkq n VAL 80 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2pkq h ASN 81 N 0.00 0.84 -1.35 -1.34 4.21 -1.83 -3.36 115.58 112.76 2pkq h ASN 81 Ca 0.51 -0.65 -0.69 0.00 1.21 0.00 0.00 56.30 56.68 2pkq h ASN 81 Cb 1.76 -0.25 0.08 0.00 -1.12 0.00 0.00 38.32 38.79 2pkq h ASN 81 CO -0.20 1.44 -0.11 0.18 -1.29 0.00 0.00 177.43 177.46 2pkq n LEU 82 N -3.85 0.04 -2.94 1.61 4.77 0.35 -4.74 117.00 112.24 2pkq n LEU 82 Ca -0.09 1.14 -0.28 0.00 -0.03 0.00 0.00 56.01 56.75 2pkq n LEU 82 Cb 0.85 -1.03 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 2pkq n LEU 82 CO 0.54 -2.13 2.70 -0.81 -1.33 0.00 0.00 177.39 176.37 2pkq n PRO 83 N 1.32 2.90 -0.11 3.23 -0.04 -1.26 -4.57 135.00 136.47 2pkq n PRO 83 Ca 0.17 -1.71 -0.11 0.00 -0.04 0.00 0.00 63.50 61.81 2pkq n PRO 83 Cb 0.20 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.13 2pkq n PRO 83 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2pkq h TRP 84 N 4.76 0.72 -0.35 0.54 -0.00 -1.68 -1.94 115.95 118.00 2pkq h TRP 84 Ca 0.62 -0.16 -0.05 0.00 -0.00 0.00 0.00 58.89 59.30 2pkq h TRP 84 Cb 0.56 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 29.53 2pkq h TRP 84 CO 1.85 0.81 0.04 0.78 -0.00 0.00 0.00 178.44 181.92 2pkq h GLY 85 N 0.42 0.63 1.09 1.49 0.00 0.20 0.20 103.07 107.10 2pkq h GLY 85 Ca 0.08 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.02 2pkq h GLY 85 CO 0.03 0.41 0.51 -0.55 0.00 0.00 0.00 176.54 176.94 2pkq h ASP 86 N 0.41 0.81 -0.06 0.19 3.32 -1.76 -1.46 116.42 117.87 2pkq h ASP 86 Ca 0.10 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2pkq h ASP 86 Cb 0.39 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2pkq h ASP 86 CO 0.01 0.55 0.00 0.23 -1.72 0.00 0.00 179.24 178.31 2pkq n MET 87 N -4.46 1.91 -3.24 3.56 2.81 -0.74 -4.95 117.12 112.01 2pkq n MET 87 Ca 0.10 -1.33 -0.15 0.00 -1.81 0.00 0.00 57.70 54.51 2pkq n MET 87 Cb 0.14 -1.47 0.08 0.00 -0.71 0.00 0.00 33.22 31.26 2pkq n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pkq n GLY 88 N 1.24 -0.46 3.62 3.03 0.00 -0.37 -4.91 105.19 107.33 2pkq n GLY 88 Ca 0.17 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 2pkq n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pkq s ILE 89 N -3.33 3.93 0.03 -0.61 -1.09 0.56 -4.81 121.20 115.87 2pkq s ILE 89 Ca 0.11 1.01 0.01 0.00 -2.23 0.00 0.00 60.65 59.55 2pkq s ILE 89 Cb -0.01 -4.04 -0.26 0.00 -1.58 0.00 0.00 42.46 36.57 2pkq s ILE 89 CO 0.66 -0.52 0.96 0.44 -1.23 0.00 0.00 174.94 175.26 2pkq h ASP 90 N 10.26 0.25 -3.88 3.58 3.45 -1.80 -1.50 116.42 126.77 2pkq h ASP 90 Ca -0.29 -0.33 -0.20 0.00 0.43 0.00 0.00 57.03 56.65 2pkq h ASP 90 Cb 1.12 -0.08 -0.26 0.00 -0.56 0.00 0.00 39.33 39.54 2pkq h ASP 90 CO 1.04 1.27 -0.58 -0.22 -1.57 0.00 0.00 179.24 179.18 2pkq s LEU 91 N -6.81 1.58 -0.11 1.55 2.96 -0.91 -1.53 118.68 115.41 2pkq s LEU 91 Ca -0.05 0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 2pkq s LEU 91 Cb 0.08 0.40 0.01 0.00 0.50 0.00 0.00 46.19 47.18 2pkq s LEU 91 CO 0.84 -0.07 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.92 2pkq s VAL 92 N -0.07 1.79 -0.89 1.68 1.01 -0.17 -0.27 120.40 123.47 2pkq s VAL 92 Ca -0.01 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 2pkq s VAL 92 Cb -0.01 -1.59 0.18 0.00 0.00 0.00 0.00 36.38 34.95 2pkq s VAL 92 CO 0.00 0.50 0.96 -0.63 0.00 0.00 0.00 175.10 175.93 2pkq s ILE 93 N 0.72 5.20 -0.95 2.22 -1.09 0.56 -0.05 121.20 127.81 2pkq s ILE 93 Ca -0.11 -2.08 -0.24 0.00 -2.23 0.00 0.00 60.65 55.99 2pkq s ILE 93 Cb -0.16 -4.63 -0.05 0.00 -1.58 0.00 0.00 42.46 36.05 2pkq s ILE 93 CO 0.02 -1.27 1.92 -0.70 -1.23 0.00 0.00 174.94 173.68 2pkq s GLU 94 N 1.33 2.61 -0.62 2.79 2.56 0.36 -2.39 118.70 125.34 2pkq s GLU 94 Ca 0.26 -0.47 0.05 0.00 0.00 0.00 0.00 54.97 54.81 2pkq s GLU 94 Cb -0.07 -5.11 0.29 0.00 2.00 0.00 0.00 34.13 31.24 2pkq s GLU 94 CO -0.09 -3.40 0.85 0.41 -0.56 0.00 0.00 175.26 172.47 2pkq n GLY 95 N 6.69 5.20 0.01 -1.50 0.00 0.27 -1.98 105.19 113.88 2pkq n GLY 95 Ca 0.41 -2.78 -0.01 0.00 0.00 0.00 0.00 46.02 43.64 2pkq n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pkq n THR 96 N 0.34 0.17 -0.45 2.61 -2.24 -1.25 -4.19 114.28 109.27 2pkq n THR 96 Ca 0.31 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2pkq n THR 96 Cb 0.40 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 2pkq n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pkq n GLY 97 N 2.62 0.88 0.25 3.38 0.00 -1.26 -4.89 105.19 106.17 2pkq n GLY 97 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2pkq n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pkq n VAL 98 N -2.00 0.82 -2.85 1.61 0.24 -1.26 -4.80 118.33 110.09 2pkq n VAL 98 Ca 0.00 -0.27 -0.44 0.00 -2.04 0.00 0.00 64.34 61.59 2pkq n VAL 98 Cb 0.00 -1.27 -0.00 0.00 -1.47 0.00 0.00 33.84 31.10 2pkq n VAL 98 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2pkq s PHE 99 N -2.28 3.31 -0.10 6.34 2.99 -1.26 -4.59 117.98 122.39 2pkq s PHE 99 Ca -0.20 -1.98 0.01 0.00 0.00 0.00 0.00 56.93 54.76 2pkq s PHE 99 Cb 0.06 -4.43 0.02 0.00 0.00 0.00 0.00 43.02 38.68 2pkq s PHE 99 CO 0.30 -1.51 0.88 1.33 -0.00 0.00 0.00 175.22 176.23 2pkq n VAL 100 N 5.09 0.71 -4.47 -0.44 0.24 -1.26 -4.24 118.33 113.96 2pkq n VAL 100 Ca 0.39 -0.85 -0.23 0.00 -2.04 0.00 0.00 64.34 61.61 2pkq n VAL 100 Cb 0.44 0.65 -0.10 0.00 -1.47 0.00 0.00 33.84 33.36 2pkq n VAL 100 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2pkq s ASP 101 N -0.73 3.23 0.08 -1.34 1.47 -1.26 -0.86 116.67 117.25 2pkq s ASP 101 Ca 0.02 -1.16 -0.15 0.00 1.18 0.00 0.00 52.55 52.44 2pkq s ASP 101 Cb 0.01 -0.25 -0.03 0.00 -0.34 0.00 0.00 42.92 42.30 2pkq s ASP 101 CO 0.01 -0.22 1.24 0.54 0.68 0.00 0.00 175.17 177.42 2pkq n ARG 102 N -0.65 -0.21 -0.13 2.11 5.12 -1.26 -1.23 116.66 120.41 2pkq n ARG 102 Ca -0.05 1.23 -0.07 0.00 -1.93 0.00 0.00 57.85 57.02 2pkq n ARG 102 Cb 0.63 -1.82 -0.01 0.00 -1.16 0.00 0.00 32.46 30.10 2pkq n ARG 102 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2pkq h ASP 103 N 0.00 -1.10 0.46 0.55 5.19 -1.96 -1.77 116.42 117.78 2pkq h ASP 103 Ca 0.08 0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.66 2pkq h ASP 103 Cb 0.20 0.52 0.00 0.00 0.18 0.00 0.00 39.33 40.23 2pkq h ASP 103 CO -0.45 -0.32 -0.22 1.23 -3.12 0.00 0.00 179.24 176.36 2pkq h GLY 104 N -0.23 -0.64 0.24 2.75 0.00 -1.72 -3.11 103.07 100.36 2pkq h GLY 104 Ca 0.18 0.24 0.24 0.00 0.00 0.00 0.00 47.33 47.99 2pkq h GLY 104 CO -0.57 -0.23 0.62 0.00 0.00 0.00 0.00 176.54 176.36 2pkq h ALA 105 N -1.63 2.57 -0.85 3.60 0.00 -1.21 -0.61 119.26 121.14 2pkq h ALA 105 Ca -0.06 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2pkq h ALA 105 Cb 0.47 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2pkq h ALA 105 CO 0.10 -0.85 0.50 0.78 0.00 0.00 0.00 179.25 179.79 2pkq h GLY 106 N 0.17 1.31 0.30 0.00 0.00 -1.25 -1.81 103.07 101.79 2pkq h GLY 106 Ca 0.45 -0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.51 2pkq h GLY 106 CO -0.09 0.18 0.77 0.50 0.00 0.00 0.00 176.54 177.91 2pkq h LYS 107 N 0.87 0.00 -0.09 4.80 1.57 -1.08 1.65 116.57 124.29 2pkq h LYS 107 Ca 0.40 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.97 2pkq h LYS 107 Cb 0.30 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.62 2pkq h LYS 107 CO -0.22 0.00 -0.76 0.45 -0.57 0.00 0.00 179.45 178.35 2pkq h HIS 108 N 0.00 0.94 -0.62 -1.35 3.86 -1.49 -2.40 115.15 114.08 2pkq h HIS 108 Ca 0.13 -0.45 0.02 0.00 -1.16 0.00 0.00 60.37 58.91 2pkq h HIS 108 Cb 1.67 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 29.97 2pkq h HIS 108 CO 0.00 1.27 0.39 -0.07 0.86 0.00 0.00 177.93 180.38 2pkq h LEU 109 N 0.34 0.65 -0.61 2.43 3.38 0.23 -1.91 115.31 119.82 2pkq h LEU 109 Ca -0.07 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2pkq h LEU 109 Cb 1.41 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 2pkq h LEU 109 CO 0.15 0.46 0.37 1.56 0.09 0.00 0.00 178.44 181.08 2pkq h GLN 110 N 0.78 0.71 0.00 1.13 4.20 -1.35 -0.28 115.11 120.30 2pkq h GLN 110 Ca 0.24 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2pkq h GLN 110 Cb -0.02 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.60 2pkq h GLN 110 CO -0.08 0.47 0.01 0.00 -0.67 0.00 0.00 178.83 178.56 2pkq n ALA 111 N -2.30 1.15 0.00 3.87 0.00 -0.79 -4.70 120.51 117.74 2pkq n ALA 111 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2pkq n ALA 111 Cb 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2pkq n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkq n GLY 112 N -1.27 0.83 3.81 0.00 0.00 -0.13 0.19 105.19 108.62 2pkq n GLY 112 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2pkq n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkq s ALA 113 N -2.00 2.88 -0.18 4.61 0.00 -0.79 -3.52 121.76 122.76 2pkq s ALA 113 Ca 0.00 0.46 -0.10 0.00 0.00 0.00 0.00 51.96 52.32 2pkq s ALA 113 Cb 0.00 -3.21 -0.21 0.00 0.00 0.00 0.00 23.12 19.69 2pkq s ALA 113 CO 0.00 -0.39 0.15 1.63 0.00 0.00 0.00 175.76 177.16 2pkq n LYS 114 N -1.32 0.67 -4.13 0.00 5.02 -0.57 -4.31 118.16 113.54 2pkq n LYS 114 Ca 0.08 0.33 -0.12 0.00 -2.02 0.00 0.00 58.31 56.58 2pkq n LYS 114 Cb 0.53 -1.66 -0.11 0.00 -0.02 0.00 0.00 35.03 33.77 2pkq n LYS 114 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2pkq s LYS 115 N -2.50 0.72 -0.25 1.97 1.02 -0.58 -4.88 119.74 115.25 2pkq s LYS 115 Ca -0.28 -1.08 -0.01 0.00 0.02 0.00 0.00 55.97 54.62 2pkq s LYS 115 Cb 0.08 -0.31 0.07 0.00 -0.52 0.00 0.00 37.83 37.16 2pkq s LYS 115 CO 0.67 0.03 0.04 0.08 -0.92 0.00 0.00 175.35 175.24 2pkq s VAL 116 N -2.52 0.87 -0.41 3.17 1.01 -0.38 -1.00 120.40 121.15 2pkq s VAL 116 Ca 0.02 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.77 2pkq s VAL 116 Cb -0.02 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.94 2pkq s VAL 116 CO -0.02 -0.36 0.66 -0.22 0.00 0.00 0.00 175.10 175.16 2pkq s LEU 117 N 1.67 4.38 -0.39 3.92 0.20 0.93 -2.43 118.68 126.96 2pkq s LEU 117 Ca 0.02 -0.13 -0.24 0.00 0.69 0.00 0.00 54.13 54.47 2pkq s LEU 117 Cb -0.18 -2.78 0.02 0.00 -0.43 0.00 0.00 46.19 42.82 2pkq s LEU 117 CO -0.14 -0.72 0.86 -0.63 -0.29 0.00 0.00 176.35 175.42 2pkq s ILE 118 N 2.83 4.63 0.00 6.68 1.01 0.34 -0.49 121.20 136.21 2pkq s ILE 118 Ca 0.24 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.83 2pkq s ILE 118 Cb -0.14 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.03 2pkq s ILE 118 CO 0.18 -0.55 0.81 0.35 0.00 0.00 0.00 174.94 175.72 2pkq n THR 119 N 5.98 0.81 -3.82 2.92 -2.24 -0.84 -2.18 114.28 114.90 2pkq n THR 119 Ca 0.05 -0.14 -0.08 0.00 -2.27 0.00 0.00 64.05 61.61 2pkq n THR 119 Cb 0.48 -1.03 0.01 0.00 -2.10 0.00 0.00 70.33 67.69 2pkq n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkq s ALA 120 N 0.73 -0.95 0.50 6.98 0.00 -1.25 -4.93 121.76 122.84 2pkq s ALA 120 Ca 0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.14 2pkq s ALA 120 Cb 0.00 0.71 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 2pkq s ALA 120 CO 0.00 -1.01 1.25 -2.14 0.00 0.00 0.00 175.76 173.86 2pkq s PRO 121 N -2.64 3.46 0.21 0.00 0.02 -1.24 -3.81 135.00 130.99 2pkq s PRO 121 Ca 0.15 1.97 -0.21 0.00 0.02 0.00 0.00 61.00 62.93 2pkq s PRO 121 Cb -0.05 -2.32 -0.08 0.00 0.02 0.00 0.00 34.50 32.07 2pkq s PRO 121 CO 0.10 -0.85 0.73 0.20 -0.33 0.00 0.00 177.00 176.84 2pkq s GLY 122 N -1.20 2.67 -0.29 0.52 0.00 -1.26 -4.96 107.32 102.80 2pkq s GLY 122 Ca 0.68 0.20 -0.12 0.00 0.00 0.00 0.00 44.72 45.47 2pkq s GLY 122 CO 0.40 0.58 0.23 1.25 0.00 0.00 0.00 173.10 175.56 2pkq s LYS 122 N -1.79 3.87 0.29 2.90 2.47 -0.04 -4.89 119.74 122.54 2pkq s LYS 122 Ca 0.41 -0.33 0.00 0.00 -1.56 0.00 0.00 55.97 54.49 2pkq s LYS 122 Cb -0.18 -3.69 0.00 0.00 -1.46 0.00 0.00 37.83 32.50 2pkq s LYS 122 CO 0.22 -0.25 0.00 0.41 0.16 0.00 0.00 175.35 175.89 2pkq n GLY 123 N 5.02 0.76 3.43 5.54 0.00 -1.26 -4.27 105.19 114.41 2pkq n GLY 123 Ca -0.13 -1.63 -0.44 0.00 0.00 0.00 0.00 46.02 43.82 2pkq n GLY 123 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pkq s ASP 124 N -4.00 6.49 -0.04 1.61 2.15 -1.26 -4.99 116.67 116.63 2pkq s ASP 124 Ca 0.00 -1.81 -0.08 0.00 0.43 0.00 0.00 52.55 51.10 2pkq s ASP 124 Cb 0.00 -2.37 0.01 0.00 -0.30 0.00 0.00 42.92 40.26 2pkq s ASP 124 CO 0.00 -1.10 0.18 -0.63 -0.17 0.00 0.00 175.17 173.45 2pkq s ILE 125 N 2.74 0.04 0.02 4.11 1.01 -1.26 -4.94 121.20 122.92 2pkq s ILE 125 Ca 0.26 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 2pkq s ILE 125 Cb -0.10 -0.37 -0.07 0.00 0.01 0.00 0.00 42.46 41.93 2pkq s ILE 125 CO -0.03 -0.17 1.70 -2.84 0.00 0.00 0.00 174.94 173.59 2pkq s PRO 126 N -0.60 4.18 -0.16 2.79 0.02 -1.25 -4.88 135.00 135.10 2pkq s PRO 126 Ca -0.07 2.32 -0.02 0.00 0.02 0.00 0.00 61.00 63.25 2pkq s PRO 126 Cb -0.04 -3.83 -0.02 0.00 0.02 0.00 0.00 34.50 30.64 2pkq s PRO 126 CO 0.01 -0.81 -0.09 0.99 -0.33 0.00 0.00 177.00 176.77 2pkq s THR 127 N 3.42 3.28 -0.02 0.99 2.01 -1.26 -0.94 115.64 123.13 2pkq s THR 127 Ca 0.76 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 62.22 2pkq s THR 127 Cb -0.38 -2.42 -0.00 0.00 0.01 0.00 0.00 72.50 69.71 2pkq s THR 127 CO 0.33 0.50 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.34 2pkq s TYR 128 N 0.63 0.99 -0.42 4.92 2.02 -0.74 -4.76 117.35 120.00 2pkq s TYR 128 Ca -0.05 -0.23 0.04 0.00 -0.37 0.00 0.00 57.07 56.45 2pkq s TYR 128 Cb -0.15 -0.68 0.12 0.00 -0.40 0.00 0.00 41.96 40.84 2pkq s TYR 128 CO 0.03 -0.07 0.15 0.08 -1.57 0.00 0.00 175.55 174.17 2pkq s VAL 129 N 0.03 2.26 -0.37 0.71 1.01 -1.26 -4.12 120.40 118.67 2pkq s VAL 129 Ca -0.01 -2.72 -0.32 0.00 0.00 0.00 0.00 61.98 58.93 2pkq s VAL 129 Cb -0.07 -2.62 -0.14 0.00 0.00 0.00 0.00 36.38 33.55 2pkq s VAL 129 CO 0.00 -0.71 1.55 0.52 0.00 0.00 0.00 175.10 176.47 2pkq n VAL 130 N 3.76 0.00 0.00 2.92 0.31 -1.26 1.00 118.33 125.05 2pkq n VAL 130 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2pkq n VAL 130 Cb 0.37 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 2pkq n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pkq n GLY 131 N 5.40 2.30 0.00 2.92 0.00 -1.26 -4.90 105.19 109.66 2pkq n GLY 131 Ca 0.40 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.45 2pkq n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pkq n VAL 132 N -0.71 0.00 0.00 1.61 0.31 0.28 -4.92 118.33 114.90 2pkq n VAL 132 Ca 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2pkq n VAL 132 Cb 0.00 0.71 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 2pkq n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2pkq n ASN 133 N -1.42 0.00 0.06 4.52 2.04 -1.23 -4.87 115.26 114.36 2pkq n ASN 133 Ca 0.00 0.00 0.10 0.00 -0.44 0.00 0.00 54.58 54.24 2pkq n ASN 133 Cb 0.14 0.00 0.42 0.00 -2.53 0.00 0.00 39.78 37.81 2pkq n ASN 133 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 2pkq n GLU 134 N 0.00 0.10 0.11 -3.83 0.00 -1.26 -1.80 120.64 113.96 2pkq n GLU 134 Ca 0.00 0.30 0.13 0.00 0.00 0.00 0.00 57.16 57.59 2pkq n GLU 134 Cb 0.00 -1.68 0.43 0.00 0.00 0.00 0.00 31.44 30.19 2pkq n GLU 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2pkq n GLU 135 N -1.86 0.24 0.27 3.44 1.02 -1.26 -2.42 120.64 120.07 2pkq n GLU 135 Ca 0.03 0.27 0.17 0.00 -0.02 0.00 0.00 57.16 57.61 2pkq n GLU 135 Cb 0.23 -1.82 0.68 0.00 -0.02 0.00 0.00 31.44 30.51 2pkq n GLU 135 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2pkq h GLY 136 N 3.89 0.00 -2.05 0.62 0.00 -1.78 -3.44 103.07 100.32 2pkq h GLY 136 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 2pkq h GLY 136 CO 0.00 0.00 0.45 -0.47 0.00 0.00 0.00 176.54 176.52 2pkq s TYR 137 N -3.70 2.47 -0.14 5.60 5.04 -1.02 -5.05 117.35 120.55 2pkq s TYR 137 Ca 0.01 1.53 -0.12 0.00 -2.44 0.00 0.00 57.07 56.05 2pkq s TYR 137 Cb 0.09 -3.40 0.04 0.00 0.35 0.00 0.00 41.96 39.04 2pkq s TYR 137 CO 0.55 -2.01 0.37 0.95 -1.34 0.00 0.00 175.55 174.07 2pkq s THR 138 N -1.72 -0.01 -0.61 4.34 -4.23 -1.26 -5.02 115.64 107.14 2pkq s THR 138 Ca 0.75 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 2pkq s THR 138 Cb -0.28 -0.53 0.00 0.00 1.34 0.00 0.00 72.50 73.04 2pkq s THR 138 CO 0.32 0.01 0.67 1.57 -0.54 0.00 0.00 174.62 176.65 2pkq n HIS 139 N 3.14 0.00 0.05 3.99 -0.00 -1.26 -1.21 115.22 119.93 2pkq n HIS 139 Ca -0.15 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 57.99 2pkq n HIS 139 Cb 0.57 -0.21 0.18 0.00 -0.12 0.00 0.00 29.99 30.41 2pkq n HIS 139 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2pkq h ALA 140 N 1.03 1.02 -2.41 1.57 0.00 -1.95 -3.44 119.26 115.09 2pkq h ALA 140 Ca 0.00 -0.41 -0.54 0.00 0.00 0.00 0.00 54.91 53.96 2pkq h ALA 140 Cb 0.40 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2pkq h ALA 140 CO 0.00 0.61 0.90 -0.51 0.00 0.00 0.00 179.25 180.25 2pkq s ASP 141 N -6.86 6.74 0.06 0.00 1.01 -0.35 -4.91 116.67 112.36 2pkq s ASP 141 Ca -0.06 2.27 0.22 0.00 0.71 0.00 0.00 52.55 55.70 2pkq s ASP 141 Cb 0.13 -2.56 -0.17 0.00 1.01 0.00 0.00 42.92 41.33 2pkq s ASP 141 CO 0.79 -0.79 0.76 0.35 0.21 0.00 0.00 175.17 176.49 2pkq n THR 142 N 4.68 0.23 -3.65 -1.27 -2.24 -1.26 -4.85 114.28 105.92 2pkq n THR 142 Ca 0.14 -0.46 -0.23 0.00 -2.27 0.00 0.00 64.05 61.24 2pkq n THR 142 Cb 0.42 -0.04 -0.18 0.00 -2.10 0.00 0.00 70.33 68.44 2pkq n THR 142 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2pkq s ILE 143 N -3.40 -0.09 0.11 2.28 1.01 -1.26 -1.25 121.20 118.60 2pkq s ILE 143 Ca -0.03 0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.85 2pkq s ILE 143 Cb 0.13 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 2pkq s ILE 143 CO 0.85 -0.01 -0.14 0.27 0.00 0.00 0.00 174.94 175.92 2pkq s ILE 144 N 2.15 1.27 -0.05 2.92 -4.36 -1.02 -3.86 121.20 118.26 2pkq s ILE 144 Ca 0.04 -1.66 0.06 0.00 -0.26 0.00 0.00 60.65 58.82 2pkq s ILE 144 Cb -0.14 -1.46 -0.02 0.00 1.25 0.00 0.00 42.46 42.09 2pkq s ILE 144 CO -0.05 -0.41 -0.21 -0.94 0.24 0.00 0.00 174.94 173.56 2pkq s SER 145 N -2.37 3.40 -0.29 4.36 1.04 -0.11 -0.50 113.70 119.23 2pkq s SER 145 Ca 0.07 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.13 2pkq s SER 145 Cb -0.05 -0.74 0.40 0.00 0.10 0.00 0.00 66.02 65.73 2pkq s SER 145 CO 0.03 0.29 1.60 -3.20 0.98 0.00 0.00 173.24 172.94 2pkq n ASN 146 N 2.66 3.73 -0.71 7.02 5.15 -0.93 -1.78 115.26 130.39 2pkq n ASN 146 Ca -0.17 -3.02 0.00 0.00 -0.60 0.00 0.00 54.58 50.80 2pkq n ASN 146 Cb 0.52 -0.74 -0.00 0.00 -0.53 0.00 0.00 39.78 39.03 2pkq n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pkq n ALA 147 N -0.48 -0.04 -1.97 5.20 0.00 -1.25 -4.83 120.51 117.15 2pkq n ALA 147 Ca 0.37 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.60 2pkq n ALA 147 Cb 1.18 -0.01 0.04 0.00 0.00 0.00 0.00 19.45 20.66 2pkq n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pkq s SER 148 N -4.02 5.18 0.32 0.00 1.04 -1.26 -3.65 113.70 111.31 2pkq s SER 148 Ca 0.00 0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.55 2pkq s SER 148 Cb 0.00 -0.92 0.55 0.00 0.10 0.00 0.00 66.02 65.75 2pkq s SER 148 CO 0.00 -1.23 1.86 0.00 0.98 0.00 0.00 173.24 174.84 2pkq h THR 150 N 0.57 0.27 -0.65 0.00 2.02 -1.94 -3.19 112.91 109.98 2pkq h THR 150 Ca 0.12 -0.72 0.14 0.00 0.77 0.00 0.00 66.41 66.72 2pkq h THR 150 Cb 0.33 0.43 -0.11 0.00 -1.74 0.00 0.00 68.15 67.07 2pkq h THR 150 CO 0.01 0.06 -0.01 0.74 0.37 0.00 0.00 175.52 176.70 2pkq h THR 151 N -1.05 0.45 0.00 3.16 2.02 -1.84 0.81 112.91 116.46 2pkq h THR 151 Ca -0.05 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2pkq h THR 151 Cb 0.47 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2pkq h THR 151 CO 0.08 0.02 0.06 -3.20 0.37 0.00 0.00 175.52 172.85 2pkq n ASN 152 N -5.30 0.38 -0.09 4.18 5.15 -0.54 -0.25 115.26 118.79 2pkq n ASN 152 Ca 0.10 0.65 -0.11 0.00 -0.60 0.00 0.00 54.58 54.62 2pkq n ASN 152 Cb 0.38 -0.68 -0.04 0.00 -0.53 0.00 0.00 39.78 38.91 2pkq n ASN 152 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pkq h LEU 154 N -1.00 0.72 0.64 0.00 5.85 -0.46 -3.25 115.31 117.81 2pkq h LEU 154 Ca -0.07 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2pkq h LEU 154 Cb 1.03 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 2pkq h LEU 154 CO -0.04 0.43 -0.39 0.00 -0.34 0.00 0.00 178.44 178.10 2pkq h ALA 155 N 1.58 -1.21 -0.94 1.25 0.00 -0.84 -2.51 119.26 116.59 2pkq h ALA 155 Ca 0.39 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.24 2pkq h ALA 155 Cb 0.44 0.49 -0.15 0.00 0.00 0.00 0.00 17.79 18.57 2pkq h ALA 155 CO -0.16 -1.17 -0.37 -2.30 0.00 0.00 0.00 179.25 175.26 2pkq n PRO 156 N -4.84 -0.22 0.00 0.00 -0.02 -1.23 0.16 135.00 128.86 2pkq n PRO 156 Ca -0.12 1.45 0.14 0.00 -2.02 0.00 0.00 63.50 62.95 2pkq n PRO 156 Cb 0.40 -2.15 0.60 0.00 -0.02 0.00 0.00 33.50 32.32 2pkq n PRO 156 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2pkq n PHE 157 N -5.39 0.00 0.04 6.00 1.16 -1.23 -2.74 117.46 115.30 2pkq n PHE 157 Ca 0.10 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.48 2pkq n PHE 157 Cb 0.38 -0.33 -0.13 0.00 -1.61 0.00 0.00 39.48 37.79 2pkq n PHE 157 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2pkq h VAL 158 N 0.16 1.47 -0.41 1.97 2.07 0.19 -2.59 116.25 119.11 2pkq h VAL 158 Ca 0.00 -2.39 0.08 0.00 0.82 0.00 0.00 66.70 65.21 2pkq h VAL 158 Cb 0.41 2.98 -0.07 0.00 -1.52 0.00 0.00 31.29 33.09 2pkq h VAL 158 CO 0.00 0.69 -0.07 0.50 0.02 0.00 0.00 177.57 178.70 2pkq h LYS 159 N -0.24 0.03 -0.80 1.57 3.64 -1.00 -0.34 116.57 119.43 2pkq h LYS 159 Ca -0.13 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2pkq h LYS 159 Cb 1.57 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 33.31 2pkq h LYS 159 CO 0.15 0.02 0.44 0.28 -2.27 0.00 0.00 179.45 178.07 2pkq h VAL 160 N 0.03 0.89 0.20 2.00 2.07 -1.51 0.34 116.25 120.27 2pkq h VAL 160 Ca 0.20 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2pkq h VAL 160 Cb 0.30 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2pkq h VAL 160 CO -0.40 0.14 -0.10 -0.07 0.02 0.00 0.00 177.57 177.16 2pkq h LEU 161 N 0.74 -0.23 -0.58 2.57 3.38 -0.71 -3.18 115.31 117.31 2pkq h LEU 161 Ca 0.39 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.47 2pkq h LEU 161 Cb 0.37 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 2pkq h LEU 161 CO -0.25 -0.13 -0.27 -0.78 0.09 0.00 0.00 178.44 177.10 2pkq h ASP 162 N -0.34 -0.94 0.00 -0.43 3.58 -1.14 0.87 116.42 118.02 2pkq h ASP 162 Ca -0.03 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2pkq h ASP 162 Cb 0.21 0.50 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2pkq h ASP 162 CO 0.05 -0.28 0.00 1.67 -2.88 0.00 0.00 179.24 177.80 2pkq n GLN 163 N -5.44 0.04 0.00 0.28 7.27 0.10 -1.24 117.38 118.40 2pkq n GLN 163 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.12 2pkq n GLN 163 Cb 0.35 -1.16 0.00 0.00 2.41 0.00 0.00 30.24 31.84 2pkq n GLN 163 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2pkq n LYS 164 N -0.66 0.00 0.00 3.69 3.00 0.93 -4.94 118.16 120.18 2pkq n LYS 164 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2pkq n LYS 164 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 35.03 34.69 2pkq n LYS 164 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2pkq n PHE 165 N -0.64 0.00 -1.74 5.64 3.72 0.26 -4.96 117.46 119.74 2pkq n PHE 165 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 2pkq n PHE 165 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 2pkq n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pkq n GLY 166 N 1.27 -3.32 3.66 1.37 0.00 -0.37 -1.58 105.19 106.21 2pkq n GLY 166 Ca 0.00 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2pkq n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pkq s ILE 167 N -0.23 4.08 -0.15 -0.61 1.01 -1.26 -2.11 121.20 121.92 2pkq s ILE 167 Ca -0.04 1.29 -0.22 0.00 0.00 0.00 0.00 60.65 61.69 2pkq s ILE 167 Cb 0.00 -3.87 -0.19 0.00 0.01 0.00 0.00 42.46 38.41 2pkq s ILE 167 CO 0.17 -0.16 0.44 0.40 0.00 0.00 0.00 174.94 175.79 2pkq h ILE 168 N 5.60 1.17 -2.46 2.92 2.04 -0.83 -3.49 117.51 122.46 2pkq h ILE 168 Ca -0.30 -2.02 0.10 0.00 1.00 0.00 0.00 64.86 63.65 2pkq h ILE 168 Cb 1.12 2.36 -0.12 0.00 -0.74 0.00 0.00 36.82 39.44 2pkq h ILE 168 CO 0.97 0.40 0.43 -1.59 0.00 0.00 0.00 178.15 178.36 2pkq s LYS 169 N -2.17 1.06 0.00 2.37 -2.85 -1.23 -4.87 119.74 112.04 2pkq s LYS 169 Ca -0.19 -0.47 0.00 0.00 -1.00 0.00 0.00 55.97 54.31 2pkq s LYS 169 Cb 0.00 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 2pkq s LYS 169 CO 0.54 -0.47 0.00 0.41 0.10 0.00 0.00 175.35 175.92 2pkq n GLY 170 N -0.34 2.12 3.95 0.59 0.00 0.05 -0.88 105.19 110.67 2pkq n GLY 170 Ca -0.09 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 2pkq n GLY 170 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pkq s THR 171 N -1.43 2.48 0.03 2.61 -4.23 -1.00 -3.05 115.64 111.05 2pkq s THR 171 Ca 0.00 -1.21 -0.27 0.00 -1.18 0.00 0.00 61.69 59.03 2pkq s THR 171 Cb 0.00 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.22 2pkq s THR 171 CO 0.00 0.00 0.63 0.00 -0.54 0.00 0.00 174.62 174.71 2pkq s MET 172 N -4.32 1.13 -0.03 3.99 0.23 -1.15 -1.08 119.30 118.07 2pkq s MET 172 Ca 0.51 -0.04 -0.00 0.00 -1.03 0.00 0.00 55.69 55.13 2pkq s MET 172 Cb -0.05 0.53 0.03 0.00 -1.53 0.00 0.00 34.83 33.80 2pkq s MET 172 CO 0.30 -0.41 0.03 0.99 -2.03 0.00 0.00 175.02 173.90 2pkq s THR 173 N -2.17 0.01 -0.31 3.16 2.01 -1.06 -2.61 115.64 114.68 2pkq s THR 173 Ca -0.06 0.22 -0.06 0.00 0.31 0.00 0.00 61.69 62.09 2pkq s THR 173 Cb -0.00 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.38 2pkq s THR 173 CO 0.01 0.12 0.07 0.28 -0.69 0.00 0.00 174.62 174.41 2pkq s THR 174 N 1.26 3.72 -0.53 -0.82 -1.32 -1.12 -0.40 115.64 116.44 2pkq s THR 174 Ca -0.07 -0.93 -0.29 0.00 -1.21 0.00 0.00 61.69 59.20 2pkq s THR 174 Cb -0.13 -3.00 0.03 0.00 -1.51 0.00 0.00 72.50 67.89 2pkq s THR 174 CO -0.03 -0.01 1.18 -0.89 -2.21 0.00 0.00 174.62 172.67 2pkq s THR 175 N 1.43 4.09 -0.03 5.08 2.01 0.13 -0.39 115.64 127.96 2pkq s THR 175 Ca 0.00 1.04 0.04 0.00 0.31 0.00 0.00 61.69 63.09 2pkq s THR 175 Cb -0.18 -4.64 -0.03 0.00 0.01 0.00 0.00 72.50 67.66 2pkq s THR 175 CO 0.02 -1.17 -0.13 -2.28 -0.69 0.00 0.00 174.62 170.37 2pkq s HIS 176 N 4.79 2.73 0.90 4.92 5.04 0.18 -1.45 115.29 132.41 2pkq s HIS 176 Ca 0.46 -0.14 -0.11 0.00 -1.54 0.00 0.00 55.06 53.74 2pkq s HIS 176 Cb -0.08 -1.60 0.14 0.00 0.04 0.00 0.00 32.58 31.08 2pkq s HIS 176 CO 0.29 0.25 1.11 -1.12 -2.34 0.00 0.00 174.74 172.92 2pkq s SER 177 N -0.99 3.21 0.81 9.88 0.01 -1.26 -0.40 113.70 124.96 2pkq s SER 177 Ca 0.13 1.87 -0.12 0.00 1.31 0.00 0.00 55.95 59.14 2pkq s SER 177 Cb -0.11 -2.44 0.08 0.00 0.21 0.00 0.00 66.02 63.76 2pkq s SER 177 CO 0.03 -2.87 1.18 -0.72 0.41 0.00 0.00 173.24 171.27 2pkq s TYR 178 N -2.75 2.88 0.15 2.43 -0.85 0.16 -4.70 117.35 114.67 2pkq s TYR 178 Ca 0.65 0.71 -0.03 0.00 -0.52 0.00 0.00 57.07 57.88 2pkq s TYR 178 Cb -0.21 -3.51 -0.03 0.00 0.38 0.00 0.00 41.96 38.59 2pkq s TYR 178 CO 0.58 -1.80 0.11 0.95 -1.52 0.00 0.00 175.55 173.88 2pkq s THR 179 N -3.57 0.08 0.57 -3.49 -4.23 -1.26 -4.72 115.64 99.02 2pkq s THR 179 Ca 0.62 -1.82 0.39 0.00 -1.18 0.00 0.00 61.69 59.70 2pkq s THR 179 Cb -0.11 -2.06 0.57 0.00 1.34 0.00 0.00 72.50 72.24 2pkq s THR 179 CO 0.49 -0.38 1.56 1.23 -0.54 0.00 0.00 174.62 176.99 2pkq h GLY 180 N 2.77 0.00 2.00 3.99 0.00 -1.99 0.13 103.07 109.98 2pkq h GLY 180 Ca -0.34 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2pkq h GLY 180 CO 0.56 0.00 -0.17 -1.80 0.00 0.00 0.00 176.54 175.13 2pkq h ASP 181 N 0.00 0.00 -4.33 0.19 1.82 -1.99 -3.44 116.42 108.66 2pkq h ASP 181 Ca 0.67 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.80 2pkq h ASP 181 Cb 3.01 0.00 0.07 0.00 0.68 0.00 0.00 39.33 43.09 2pkq h ASP 181 CO -0.01 0.17 0.39 -1.10 -1.61 0.00 0.00 179.24 177.08 2pkq s GLN 182 N -4.51 3.31 0.02 0.28 -0.21 0.46 -4.96 119.66 114.06 2pkq s GLN 182 Ca -0.04 0.88 -0.21 0.00 0.02 0.00 0.00 55.36 56.01 2pkq s GLN 182 Cb 0.15 -2.04 -0.06 0.00 1.00 0.00 0.00 33.01 32.06 2pkq s GLN 182 CO 0.66 -0.80 0.62 1.03 -2.12 0.00 0.00 175.29 174.68 2pkq s ARG 183 N -5.00 4.33 0.34 2.91 1.81 -1.02 -4.96 118.95 117.36 2pkq s ARG 183 Ca 0.57 0.79 0.14 0.00 -1.72 0.00 0.00 55.73 55.52 2pkq s ARG 183 Cb -0.13 -3.32 0.59 0.00 -0.45 0.00 0.00 34.95 31.64 2pkq s ARG 183 CO 0.52 0.41 1.72 1.25 -0.68 0.00 0.00 175.30 178.52 2pkq h LEU 184 N 5.41 0.00 -7.56 2.53 5.85 -1.86 -3.32 115.31 116.36 2pkq h LEU 184 Ca -0.46 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.06 2pkq h LEU 184 Cb 1.20 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 41.96 2pkq h LEU 184 CO 0.69 0.46 -0.56 -0.76 -0.34 0.00 0.00 178.44 177.93 2pkq s LEU 185 N -7.53 1.34 -0.40 2.25 1.43 -1.26 -4.68 118.68 109.82 2pkq s LEU 185 Ca -0.01 0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 53.28 2pkq s LEU 185 Cb 0.12 0.47 -0.10 0.00 0.03 0.00 0.00 46.19 46.71 2pkq s LEU 185 CO 0.72 -0.07 1.01 0.47 0.23 0.00 0.00 176.35 178.71 2pkq n ASP 186 N 3.20 -0.12 -4.12 2.29 9.92 -1.26 -4.77 116.55 121.70 2pkq n ASP 186 Ca -0.15 -0.02 -0.08 0.00 -0.53 0.00 0.00 54.79 54.00 2pkq n ASP 186 Cb 0.58 -0.32 -0.10 0.00 -0.64 0.00 0.00 41.12 40.64 2pkq n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pkq s ALA 187 N 2.40 0.69 0.55 2.24 0.00 -0.73 -5.00 121.76 121.91 2pkq s ALA 187 Ca 0.54 -1.31 -0.19 0.00 0.00 0.00 0.00 51.96 51.00 2pkq s ALA 187 Cb -0.45 0.42 -0.08 0.00 0.00 0.00 0.00 23.12 23.01 2pkq s ALA 187 CO 0.21 -0.38 0.62 0.43 0.00 0.00 0.00 175.76 176.64 2pkq n SER 188 N 0.03 -0.61 -3.59 0.00 7.64 -1.26 -4.61 113.62 111.21 2pkq n SER 188 Ca -0.11 0.78 -0.04 0.00 1.01 0.00 0.00 58.87 60.50 2pkq n SER 188 Cb 0.62 -1.21 -0.02 0.00 -1.01 0.00 0.00 64.21 62.59 2pkq n SER 188 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2pkq s HIS 190 N -1.64 -0.17 -1.76 1.43 5.04 -1.26 -4.91 115.29 112.02 2pkq s HIS 190 Ca 0.69 0.06 0.29 0.00 -1.54 0.00 0.00 55.06 54.56 2pkq s HIS 190 Cb -0.46 0.54 1.19 0.00 0.04 0.00 0.00 32.58 33.89 2pkq s HIS 190 CO 0.54 -0.37 1.83 2.89 -2.34 0.00 0.00 174.74 177.29 2pkq n ARG 191 N -0.25 0.81 -3.78 2.88 1.85 -1.26 -4.34 116.66 112.57 2pkq n ARG 191 Ca -0.04 -0.32 -0.29 0.00 -1.00 0.00 0.00 57.85 56.20 2pkq n ARG 191 Cb 0.60 -1.49 -0.13 0.00 -1.05 0.00 0.00 32.46 30.39 2pkq n ARG 191 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2pkq s ASP 192 N -2.41 3.86 0.00 2.89 -1.08 -1.26 -4.98 116.67 113.70 2pkq s ASP 192 Ca 0.30 -2.91 0.00 0.00 -0.52 0.00 0.00 52.55 49.42 2pkq s ASP 192 Cb 0.20 -1.25 0.00 0.00 -1.46 0.00 0.00 42.92 40.41 2pkq s ASP 192 CO 0.46 -0.23 0.53 0.18 0.52 0.00 0.00 175.17 176.64 2pkq n LEU 193 N 3.18 0.00 -0.07 -1.34 4.32 -1.26 0.28 117.00 122.12 2pkq n LEU 193 Ca 0.10 0.12 -0.05 0.00 -0.02 0.00 0.00 56.01 56.17 2pkq n LEU 193 Cb 0.35 -0.12 -0.02 0.00 -1.62 0.00 0.00 43.42 42.01 2pkq n LEU 193 CO 0.26 -0.12 -0.34 0.54 -1.22 0.00 0.00 177.39 176.51 2pkq n ARG 194 N -1.03 0.42 0.28 3.23 5.12 -1.26 -3.97 116.66 119.44 2pkq n ARG 194 Ca 0.00 0.48 0.14 0.00 -1.93 0.00 0.00 57.85 56.54 2pkq n ARG 194 Cb 0.25 -1.59 0.76 0.00 -1.16 0.00 0.00 32.46 30.71 2pkq n ARG 194 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2pkq h ARG 195 N -0.91 0.00 0.00 5.56 3.08 -0.45 0.33 114.38 121.98 2pkq h ARG 195 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pkq h ARG 195 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2pkq h ARG 195 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 2pkq n ALA 196 N -1.84 1.96 -2.11 0.04 0.00 0.37 -2.43 120.51 116.50 2pkq n ALA 196 Ca -0.02 -0.02 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 2pkq n ALA 196 Cb 0.27 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.35 2pkq n ALA 196 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pkq s ARG 197 N -3.12 3.33 0.00 0.00 1.81 0.12 -1.77 118.95 119.32 2pkq s ARG 197 Ca 0.09 0.28 0.00 0.00 -1.72 0.00 0.00 55.73 54.37 2pkq s ARG 197 Cb 0.12 -2.26 0.00 0.00 -0.45 0.00 0.00 34.95 32.36 2pkq s ARG 197 CO 0.44 -0.48 0.00 0.00 -0.68 0.00 0.00 175.30 174.58 2pkq n ALA 198 N -2.51 0.00 0.00 2.13 0.00 -1.26 -4.32 120.51 114.55 2pkq n ALA 198 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2pkq n ALA 198 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2pkq n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkq n ALA 199 N -2.11 0.00 1.15 0.00 0.00 -1.25 -4.09 120.51 114.21 2pkq n ALA 199 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2pkq n ALA 199 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 2pkq n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkq n LEU 201 N -0.02 1.42 -4.20 0.00 4.77 -1.26 -4.75 117.00 112.97 2pkq n LEU 201 Ca 0.12 -1.18 -0.13 0.00 -0.03 0.00 0.00 56.01 54.78 2pkq n LEU 201 Cb 0.43 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.42 2pkq n LEU 201 CO 0.24 0.33 -0.17 0.20 -1.33 0.00 0.00 177.39 176.66 2pkq s ASN 202 N -0.38 0.46 -0.36 -1.43 -0.87 -1.26 -5.06 114.94 106.04 2pkq s ASN 202 Ca 0.04 -1.43 -0.11 0.00 -1.57 0.00 0.00 52.86 49.79 2pkq s ASN 202 Cb 0.02 0.44 0.02 0.00 -0.02 0.00 0.00 41.25 41.71 2pkq s ASN 202 CO 0.04 -0.92 0.20 -0.63 -2.57 0.00 0.00 177.10 173.21 2pkq s ILE 203 N -3.97 4.62 -0.39 0.60 1.01 -1.26 -4.03 121.20 117.78 2pkq s ILE 203 Ca 0.38 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 2pkq s ILE 203 Cb 0.05 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 39.04 2pkq s ILE 203 CO 0.15 -0.16 0.23 -0.69 0.00 0.00 0.00 174.94 174.48 2pkq s VAL 204 N 1.58 4.63 -0.04 2.92 1.01 -0.76 -4.85 120.40 124.90 2pkq s VAL 204 Ca 0.03 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 2pkq s VAL 204 Cb -0.19 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2pkq s VAL 204 CO 0.07 -0.30 1.24 -2.84 0.00 0.00 0.00 175.10 173.27 2pkq s PRO 205 N 1.55 4.34 0.19 2.72 0.02 -1.26 -0.07 135.00 142.50 2pkq s PRO 205 Ca 0.02 1.74 0.01 0.00 0.02 0.00 0.00 61.00 62.80 2pkq s PRO 205 Cb -0.20 -3.55 -0.05 0.00 0.02 0.00 0.00 34.50 30.73 2pkq s PRO 205 CO 0.06 -0.46 0.05 -0.08 -0.33 0.00 0.00 177.00 176.24 2pkq s THR 206 N 2.18 0.46 0.24 0.99 -1.32 -0.38 -4.71 115.64 113.09 2pkq s THR 206 Ca 0.58 -1.97 -0.01 0.00 -1.21 0.00 0.00 61.69 59.07 2pkq s THR 206 Cb -0.26 -2.29 -0.04 0.00 -1.51 0.00 0.00 72.50 68.39 2pkq s THR 206 CO 0.23 -0.29 0.44 -0.44 -2.21 0.00 0.00 174.62 172.35 2pkq s SER 207 N -3.19 6.38 0.03 8.08 0.01 -1.26 -1.52 113.70 122.24 2pkq s SER 207 Ca 0.30 0.45 0.03 0.00 1.31 0.00 0.00 55.95 58.04 2pkq s SER 207 Cb 0.07 -2.03 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 2pkq s SER 207 CO 0.07 -0.10 -0.09 0.28 0.41 0.00 0.00 173.24 173.81 2pkq s THR 208 N -1.96 0.69 0.02 1.44 -1.32 -1.26 -4.85 115.64 108.40 2pkq s THR 208 Ca 0.39 -0.89 0.10 0.00 -1.21 0.00 0.00 61.69 60.09 2pkq s THR 208 Cb -0.11 -0.68 -0.19 0.00 -1.51 0.00 0.00 72.50 70.01 2pkq s THR 208 CO 0.30 -0.17 1.03 1.23 -2.21 0.00 0.00 174.62 174.80 2pkq h GLY 209 N 4.91 0.00 -0.79 6.08 0.00 -1.99 -3.33 103.07 107.96 2pkq h GLY 209 Ca -0.35 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.21 2pkq h GLY 209 CO 0.43 0.00 1.01 0.00 0.00 0.00 0.00 176.54 177.98 2pkq n ALA 210 N -2.42 0.76 0.43 3.60 0.00 -1.26 0.85 120.51 122.47 2pkq n ALA 210 Ca -0.07 0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.47 2pkq n ALA 210 Cb 0.96 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 2pkq n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkq h ALA 211 N 0.40 -1.28 0.00 0.00 0.00 -1.89 -2.63 119.26 113.86 2pkq h ALA 211 Ca 0.38 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 2pkq h ALA 211 Cb 2.39 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 20.58 2pkq h ALA 211 CO -0.00 -1.20 -0.74 0.87 0.00 0.00 0.00 179.25 178.17 2pkq h LYS 212 N -1.09 0.00 -0.03 0.00 1.57 0.24 -3.26 116.57 114.00 2pkq h LYS 212 Ca -0.11 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2pkq h LYS 212 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 2pkq h LYS 212 CO 0.18 0.62 0.03 0.00 -0.57 0.00 0.00 179.45 179.71 2pkq h ALA 213 N 1.34 1.65 0.29 3.86 0.00 -0.69 -1.79 119.26 123.93 2pkq h ALA 213 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pkq h ALA 213 Cb 1.52 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 2pkq h ALA 213 CO 0.08 -0.04 -0.41 0.28 0.00 0.00 0.00 179.25 179.16 2pkq h VAL 214 N 0.00 0.18 -1.23 0.00 2.07 -1.50 -0.31 116.25 115.45 2pkq h VAL 214 Ca 0.01 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.89 2pkq h VAL 214 Cb 0.07 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 29.93 2pkq h VAL 214 CO -0.00 0.00 0.82 0.00 0.02 0.00 0.00 177.57 178.41 2pkq h ALA 215 N -0.34 2.71 -0.93 1.67 0.00 -1.53 0.51 119.26 121.35 2pkq h ALA 215 Ca -0.01 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.07 2pkq h ALA 215 Cb 0.71 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 2pkq h ALA 215 CO -0.14 -1.19 0.55 1.25 0.00 0.00 0.00 179.25 179.73 2pkq h LEU 216 N 0.18 0.78 0.00 0.00 7.12 -1.00 -1.89 115.31 120.49 2pkq h LEU 216 Ca 0.69 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.76 2pkq h LEU 216 Cb 2.19 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 42.23 2pkq h LEU 216 CO -0.25 0.40 -1.30 1.33 -0.13 0.00 0.00 178.44 178.49 2pkq n VAL 217 N -4.71 0.00 -3.27 1.05 0.24 0.15 -4.54 118.33 107.25 2pkq n VAL 217 Ca 0.17 -0.24 -0.26 0.00 -2.04 0.00 0.00 64.34 61.98 2pkq n VAL 217 Cb 0.36 0.57 -0.07 0.00 -1.47 0.00 0.00 33.84 33.24 2pkq n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2pkq n LEU 218 N -1.75 2.99 -0.22 1.34 4.77 0.25 -4.78 117.00 119.60 2pkq n LEU 218 Ca 0.00 -5.31 0.19 0.00 -0.03 0.00 0.00 56.01 50.86 2pkq n LEU 218 Cb 0.37 -0.29 0.33 0.00 -2.33 0.00 0.00 43.42 41.49 2pkq n LEU 218 CO 0.37 2.13 0.59 -2.65 -1.33 0.00 0.00 177.39 176.50 2pkq n PRO 219 N 0.72 -0.02 -0.35 3.23 -0.02 -0.74 -0.23 135.00 137.59 2pkq n PRO 219 Ca 0.28 0.65 -0.01 0.00 -2.02 0.00 0.00 63.50 62.40 2pkq n PRO 219 Cb 0.45 -1.25 0.15 0.00 -0.02 0.00 0.00 33.50 32.83 2pkq n PRO 219 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2pkq h ASN 220 N 0.00 1.08 -0.04 2.55 -1.24 -1.93 -2.81 115.58 113.20 2pkq h ASN 220 Ca 0.44 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.43 2pkq h ASN 220 Cb 1.35 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.14 2pkq h ASN 220 CO -0.27 0.77 0.00 0.18 -1.29 0.00 0.00 177.43 176.81 2pkq n LEU 221 N -4.41 0.83 -4.69 0.34 7.99 0.68 -4.92 117.00 112.82 2pkq n LEU 221 Ca 0.12 -0.42 -0.53 0.00 -0.01 0.00 0.00 56.01 55.18 2pkq n LEU 221 Cb 0.05 -0.31 -0.06 0.00 -0.11 0.00 0.00 43.42 42.99 2pkq n LEU 221 CO 0.36 0.18 1.35 1.17 -1.51 0.00 0.00 177.39 178.94 2pkq n LYS 222 N -0.14 1.64 -1.38 3.23 4.81 -1.06 -1.04 118.16 124.22 2pkq n LYS 222 Ca 0.01 0.60 -0.13 0.00 -0.87 0.00 0.00 58.31 57.92 2pkq n LYS 222 Cb 0.19 -2.35 -0.06 0.00 0.02 0.00 0.00 35.03 32.84 2pkq n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkq n GLY 223 N 4.09 1.36 0.01 3.14 0.00 -1.26 -4.85 105.19 107.68 2pkq n GLY 223 Ca 0.24 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.03 2pkq n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pkq n LYS 224 N -2.33 0.59 -4.34 1.61 5.02 -0.20 -4.98 118.16 113.53 2pkq n LYS 224 Ca -0.13 -0.15 -0.27 0.00 -2.02 0.00 0.00 58.31 55.74 2pkq n LYS 224 Cb 0.46 -1.41 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 2pkq n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pkq s LEU 225 N -4.28 2.72 -0.30 -0.35 1.43 -1.25 -0.77 118.68 115.87 2pkq s LEU 225 Ca -0.06 -0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 52.14 2pkq s LEU 225 Cb 0.11 -1.46 0.20 0.00 0.03 0.00 0.00 46.19 45.07 2pkq s LEU 225 CO 0.72 0.13 1.41 0.21 0.23 0.00 0.00 176.35 179.05 2pkq s ASN 226 N -2.61 -0.02 0.31 2.29 3.84 -1.17 -4.43 114.94 113.15 2pkq s ASN 226 Ca 0.22 0.04 -0.11 0.00 0.21 0.00 0.00 52.86 53.22 2pkq s ASN 226 Cb -0.09 0.37 0.04 0.00 -0.55 0.00 0.00 41.25 41.03 2pkq s ASN 226 CO 0.12 -0.01 0.61 0.61 -2.79 0.00 0.00 177.10 175.65 2pkq n GLY 227 N 2.05 1.27 0.00 1.21 0.00 -1.25 -2.95 105.19 105.52 2pkq n GLY 227 Ca -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2pkq n GLY 227 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2pkq n ILE 228 N -0.43 0.00 -3.69 -0.61 -5.35 -1.07 -4.33 119.36 103.88 2pkq n ILE 228 Ca -0.06 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 2pkq n ILE 228 Cb 0.47 -0.06 -0.07 0.00 -1.74 0.00 0.00 39.64 38.24 2pkq n ILE 228 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pkq s ALA 229 N -2.00 -0.94 -0.20 -1.28 0.00 -0.58 -2.79 121.76 113.98 2pkq s ALA 229 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2pkq s ALA 229 Cb 0.00 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.42 2pkq s ALA 229 CO 0.00 -0.40 -0.07 -0.51 0.00 0.00 0.00 175.76 174.79 2pkq s LEU 230 N -1.81 2.07 -0.90 0.00 1.43 0.47 -1.26 118.68 118.69 2pkq s LEU 230 Ca -0.07 -0.88 -0.24 0.00 -1.03 0.00 0.00 54.13 51.90 2pkq s LEU 230 Cb -0.02 -1.08 0.05 0.00 0.03 0.00 0.00 46.19 45.18 2pkq s LEU 230 CO -0.00 -0.19 1.34 -0.13 0.23 0.00 0.00 176.35 177.60 2pkq s ARG 231 N 1.50 3.43 0.12 1.70 1.81 0.90 0.49 118.95 128.90 2pkq s ARG 231 Ca -0.02 -0.85 -0.01 0.00 -1.72 0.00 0.00 55.73 53.14 2pkq s ARG 231 Cb -0.17 -4.86 -0.04 0.00 -0.45 0.00 0.00 34.95 29.43 2pkq s ARG 231 CO -0.07 -2.13 0.29 0.14 -0.68 0.00 0.00 175.30 172.84 2pkq s VAL 232 N 5.02 5.29 0.00 3.52 -7.23 0.47 -1.82 120.40 125.65 2pkq s VAL 232 Ca 0.40 -0.35 -0.13 0.00 -1.81 0.00 0.00 61.98 60.08 2pkq s VAL 232 Cb -0.04 -3.67 -0.16 0.00 0.56 0.00 0.00 36.38 33.07 2pkq s VAL 232 CO -0.00 0.01 0.97 -2.65 -0.31 0.00 0.00 175.10 173.12 2pkq n PRO 233 N -0.09 0.00 -3.74 4.82 -0.02 -1.26 -3.46 135.00 131.25 2pkq n PRO 233 Ca -0.05 -0.47 -0.12 0.00 -2.02 0.00 0.00 63.50 60.84 2pkq n PRO 233 Cb 0.52 -1.72 -0.11 0.00 -0.02 0.00 0.00 33.50 32.18 2pkq n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2pkq s THR 234 N 4.73 -0.01 -0.77 3.45 -4.23 -1.26 -5.01 115.64 112.53 2pkq s THR 234 Ca 0.30 0.04 0.24 0.00 -1.18 0.00 0.00 61.69 61.09 2pkq s THR 234 Cb 0.06 -0.48 0.23 0.00 1.34 0.00 0.00 72.50 73.66 2pkq s THR 234 CO 0.15 0.02 1.74 -0.81 -0.54 0.00 0.00 174.62 175.17 2pkq n PRO 235 N 3.36 0.14 -3.55 3.99 -0.04 -1.26 -0.66 135.00 136.97 2pkq n PRO 235 Ca -0.17 0.23 -0.07 0.00 -0.04 0.00 0.00 63.50 63.45 2pkq n PRO 235 Cb 0.56 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 2pkq n PRO 235 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2pkq s ASN 236 N -3.82 -0.27 0.03 3.54 2.47 -1.26 -4.75 114.94 110.87 2pkq s ASN 236 Ca 0.09 0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.44 2pkq s ASN 236 Cb 0.12 0.27 0.00 0.00 -1.45 0.00 0.00 41.25 40.20 2pkq s ASN 236 CO 0.46 -0.42 0.00 0.52 -3.72 0.00 0.00 177.10 173.95 2pkq n VAL 237 N 0.01 -2.17 -4.22 -5.21 0.31 -1.26 -4.82 118.33 100.97 2pkq n VAL 237 Ca -0.06 0.26 -0.13 0.00 -0.01 0.00 0.00 64.34 64.41 2pkq n VAL 237 Cb 0.60 -1.74 -0.10 0.00 -0.91 0.00 0.00 33.84 31.69 2pkq n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2pkq s SER 238 N -0.59 0.83 -0.01 4.52 0.01 0.04 -4.18 113.70 114.33 2pkq s SER 238 Ca 0.00 -1.24 0.04 0.00 1.31 0.00 0.00 55.95 56.06 2pkq s SER 238 Cb 0.00 0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.42 2pkq s SER 238 CO 0.00 -0.67 -0.14 0.54 0.41 0.00 0.00 173.24 173.37 2pkq s VAL 239 N -3.84 1.14 -0.04 3.43 0.11 -0.53 -0.97 120.40 119.70 2pkq s VAL 239 Ca 0.28 -0.63 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 2pkq s VAL 239 Cb 0.07 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2pkq s VAL 239 CO 0.06 0.31 -0.05 0.54 -3.33 0.00 0.00 175.10 172.63 2pkq s VAL 240 N -0.35 3.82 -0.73 2.04 0.11 0.26 -0.69 120.40 124.86 2pkq s VAL 240 Ca 0.05 -0.56 0.04 0.00 -2.93 0.00 0.00 61.98 58.58 2pkq s VAL 240 Cb -0.06 -2.62 0.18 0.00 -1.53 0.00 0.00 36.38 32.35 2pkq s VAL 240 CO -0.00 0.51 0.53 -0.62 -3.33 0.00 0.00 175.10 172.18 2pkq s ASP 241 N -1.11 5.02 0.47 3.54 2.15 0.46 -1.09 116.67 126.11 2pkq s ASP 241 Ca 0.15 -3.78 -0.20 0.00 0.43 0.00 0.00 52.55 49.15 2pkq s ASP 241 Cb -0.11 -1.69 -0.09 0.00 -0.30 0.00 0.00 42.92 40.72 2pkq s ASP 241 CO 0.05 -0.11 1.00 -0.22 -0.17 0.00 0.00 175.17 175.71 2pkq s LEU 242 N -1.36 3.87 -0.38 -1.34 2.96 -0.67 -2.55 118.68 119.21 2pkq s LEU 242 Ca 0.25 1.82 0.03 0.00 -0.22 0.00 0.00 54.13 56.01 2pkq s LEU 242 Cb -0.06 -4.55 0.16 0.00 0.50 0.00 0.00 46.19 42.23 2pkq s LEU 242 CO -0.15 -0.61 0.37 -0.69 -1.32 0.00 0.00 176.35 173.95 2pkq s VAL 243 N -2.09 -0.26 0.14 1.68 1.01 -0.24 -1.51 120.40 119.13 2pkq s VAL 243 Ca 0.65 -1.20 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2pkq s VAL 243 Cb -0.13 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2pkq s VAL 243 CO 0.18 -0.65 0.12 0.68 0.00 0.00 0.00 175.10 175.43 2pkq s VAL 244 N 1.25 4.50 -0.27 2.92 -7.23 -0.16 -2.38 120.40 119.03 2pkq s VAL 244 Ca 0.19 -1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.30 2pkq s VAL 244 Cb -0.14 -3.26 0.01 0.00 0.56 0.00 0.00 36.38 33.54 2pkq s VAL 244 CO -0.03 -0.05 0.03 -1.58 -0.31 0.00 0.00 175.10 173.16 2pkq s GLN 245 N -2.93 3.13 0.40 4.82 0.74 -0.06 -0.08 119.66 125.69 2pkq s GLN 245 Ca 0.30 -0.82 0.08 0.00 0.05 0.00 0.00 55.36 54.98 2pkq s GLN 245 Cb -0.11 -3.23 0.01 0.00 1.10 0.00 0.00 33.01 30.78 2pkq s GLN 245 CO 0.23 -0.37 0.55 0.14 -0.55 0.00 0.00 175.29 175.29 2pkq s VAL 246 N 1.47 3.23 -0.10 1.34 -7.23 0.56 -0.09 120.40 119.58 2pkq s VAL 246 Ca 0.03 -0.99 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 2pkq s VAL 246 Cb -0.16 -3.09 -0.01 0.00 0.56 0.00 0.00 36.38 33.68 2pkq s VAL 246 CO 0.00 -0.04 -0.03 0.77 -0.31 0.00 0.00 175.10 175.49 2pkq h SER 247 N 0.69 0.00 -1.92 4.85 4.64 -0.74 -3.45 113.55 117.62 2pkq h SER 247 Ca -0.41 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.35 2pkq h SER 247 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2pkq h SER 247 CO 0.47 0.50 1.52 -0.75 -0.87 0.00 0.00 176.83 177.70 2pkq s LYS 248 N -1.63 2.85 0.21 4.77 2.20 -1.08 -4.91 119.74 122.15 2pkq s LYS 248 Ca -0.03 1.82 -0.31 0.00 -0.36 0.00 0.00 55.97 57.09 2pkq s LYS 248 Cb 0.00 -4.42 -0.15 0.00 -1.51 0.00 0.00 37.83 31.75 2pkq s LYS 248 CO 0.04 -2.43 1.08 1.63 -0.36 0.00 0.00 175.35 175.31 2pkq n LYS 249 N 8.83 1.18 -4.10 4.03 5.02 -1.26 -4.91 118.16 126.94 2pkq n LYS 249 Ca 0.31 0.42 -0.12 0.00 -2.02 0.00 0.00 58.31 56.90 2pkq n LYS 249 Cb 0.48 -1.85 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 2pkq n LYS 249 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2pkq s THR 250 N -0.52 0.00 0.18 -0.18 -1.32 0.11 -5.02 115.64 108.88 2pkq s THR 250 Ca 0.68 -1.67 0.05 0.00 -1.21 0.00 0.00 61.69 59.54 2pkq s THR 250 Cb -0.80 -2.44 -0.05 0.00 -1.51 0.00 0.00 72.50 67.70 2pkq s THR 250 CO 0.55 0.00 -0.09 0.72 -2.21 0.00 0.00 174.62 173.59 2pkq s PHE 251 N -3.71 1.41 0.00 9.09 -0.71 -1.26 -4.55 117.98 118.25 2pkq s PHE 251 Ca 0.31 -0.75 0.00 0.00 -1.04 0.00 0.00 56.93 55.45 2pkq s PHE 251 Cb 0.02 -0.73 0.00 0.00 -1.21 0.00 0.00 43.02 41.10 2pkq s PHE 251 CO 0.15 0.12 0.37 0.00 -1.34 0.00 0.00 175.22 174.51 2pkq n ALA 252 N -0.28 0.00 0.29 1.99 0.00 -1.26 -1.48 120.51 119.78 2pkq n ALA 252 Ca -0.09 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.50 2pkq n ALA 252 Cb 0.61 0.18 0.89 0.00 0.00 0.00 0.00 19.45 21.14 2pkq n ALA 252 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2pkq h GLU 253 N 0.00 0.00 -0.44 0.00 4.57 -1.98 -2.48 114.58 114.25 2pkq h GLU 253 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2pkq h GLU 253 Cb 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2pkq h GLU 253 CO 0.00 0.03 0.10 1.49 -1.18 0.00 0.00 179.01 179.46 2pkq h GLU 254 N 0.00 0.70 0.50 1.92 4.81 -1.68 0.17 114.58 121.00 2pkq h GLU 254 Ca -0.00 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2pkq h GLU 254 Cb 0.10 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2pkq h GLU 254 CO 0.00 0.71 -0.31 0.28 -0.73 0.00 0.00 179.01 178.96 2pkq h VAL 255 N 0.57 0.00 -0.84 0.32 2.07 -1.15 -1.73 116.25 115.49 2pkq h VAL 255 Ca 0.14 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.87 2pkq h VAL 255 Cb 0.32 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.95 2pkq h VAL 255 CO 0.00 0.00 0.07 0.78 0.02 0.00 0.00 177.57 178.45 2pkq h ASN 256 N -0.76 -0.28 -0.06 0.57 -0.26 -1.47 0.30 115.58 113.62 2pkq h ASN 256 Ca -0.07 0.21 0.02 0.00 -0.56 0.00 0.00 56.30 55.91 2pkq h ASN 256 Cb 0.61 0.35 -0.05 0.00 -1.06 0.00 0.00 38.32 38.17 2pkq h ASN 256 CO 0.07 -0.21 -0.45 0.00 -1.06 0.00 0.00 177.43 175.78 2pkq h ALA 257 N 1.79 -0.85 -0.83 -0.83 0.00 -0.60 -0.53 119.26 117.40 2pkq h ALA 257 Ca 0.49 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.52 2pkq h ALA 257 Cb 0.94 0.91 -0.15 0.00 0.00 0.00 0.00 17.79 19.48 2pkq h ALA 257 CO -0.72 -1.00 -0.11 0.00 0.00 0.00 0.00 179.25 177.42 2pkq h ALA 258 N -0.55 0.71 0.27 0.00 0.00 -0.05 0.92 119.26 120.57 2pkq h ALA 258 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2pkq h ALA 258 Cb 0.59 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2pkq h ALA 258 CO -0.33 -0.43 -0.48 0.74 0.00 0.00 0.00 179.25 178.75 2pkq h PHE 259 N 0.03 -1.35 -0.33 0.00 0.04 -0.62 -1.81 116.94 112.90 2pkq h PHE 259 Ca 0.43 0.02 0.07 0.00 2.80 0.00 0.00 57.97 61.30 2pkq h PHE 259 Cb 0.73 0.55 -0.08 0.00 2.20 0.00 0.00 35.95 39.36 2pkq h PHE 259 CO -0.56 -0.60 -0.27 0.00 -0.60 0.00 0.00 178.31 176.28 2pkq h ARG 260 N -0.82 -0.23 -0.56 1.51 3.08 0.60 0.18 114.38 118.14 2pkq h ARG 260 Ca -0.02 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2pkq h ARG 260 Cb 0.78 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.77 2pkq h ARG 260 CO -0.18 -0.15 -0.41 1.49 -1.07 0.00 0.00 179.97 179.65 2pkq h GLU 261 N -0.24 -0.22 -0.91 0.04 4.81 -0.62 0.20 114.58 117.65 2pkq h GLU 261 Ca 0.16 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2pkq h GLU 261 Cb 0.49 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 2pkq h GLU 261 CO -0.47 -0.14 0.55 0.77 -0.73 0.00 0.00 179.01 178.99 2pkq h SER 262 N -0.22 1.10 0.27 1.04 0.02 -0.48 -1.62 113.55 113.66 2pkq h SER 262 Ca 0.19 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2pkq h SER 262 Cb 0.56 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 2pkq h SER 262 CO -0.67 0.84 -0.05 0.00 -1.14 0.00 0.00 176.83 175.81 2pkq h ALA 263 N 1.30 1.24 0.00 3.77 0.00 0.21 0.39 119.26 126.18 2pkq h ALA 263 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2pkq h ALA 263 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2pkq h ALA 263 CO -0.06 0.07 -1.32 -0.25 0.00 0.00 0.00 179.25 177.69 2pkq n ASP 264 N -3.51 0.55 0.00 0.00 8.00 0.35 -3.06 116.55 118.88 2pkq n ASP 264 Ca -0.02 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2pkq n ASP 264 Cb 0.17 0.98 0.00 0.00 -0.02 0.00 0.00 41.12 42.25 2pkq n ASP 264 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pkq n ASN 265 N -2.45 0.00 0.23 -2.24 3.02 -0.69 -4.74 115.26 108.39 2pkq n ASN 265 Ca -0.01 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.39 2pkq n ASN 265 Cb 0.54 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.63 2pkq n ASN 265 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2pkq h GLU 266 N 0.00 -0.50 -0.11 3.52 4.11 -1.74 -3.05 114.58 116.80 2pkq h GLU 266 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.46 2pkq h GLU 266 Cb 0.00 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2pkq h GLU 266 CO 0.00 -0.34 0.00 1.28 0.07 0.00 0.00 179.01 180.02 2pkq n LEU 267 N -5.31 0.68 -4.54 3.06 4.77 0.05 -4.90 117.00 110.81 2pkq n LEU 267 Ca -0.11 -0.32 -0.55 0.00 -0.03 0.00 0.00 56.01 55.00 2pkq n LEU 267 Cb 0.22 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2pkq n LEU 267 CO 0.36 0.16 1.58 1.17 -1.33 0.00 0.00 177.39 179.34 2pkq n LYS 268 N -0.20 1.01 0.00 3.23 4.81 -1.16 0.13 118.16 125.99 2pkq n LYS 268 Ca 0.08 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 2pkq n LYS 268 Cb 0.13 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 32.98 2pkq n LYS 268 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkq n GLY 269 N 5.61 2.42 0.23 3.14 0.00 -1.26 -4.91 105.19 110.42 2pkq n GLY 269 Ca 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.35 2pkq n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pkq n ILE 270 N -0.62 0.71 -3.01 -0.61 2.08 0.34 -4.21 119.36 114.05 2pkq n ILE 270 Ca 0.00 0.30 -0.23 0.00 0.56 0.00 0.00 62.75 63.38 2pkq n ILE 270 Cb 0.00 -1.80 0.01 0.00 -0.75 0.00 0.00 39.64 37.10 2pkq n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2pkq s LEU 271 N -6.34 3.67 -0.17 1.39 2.96 -0.87 -0.99 118.68 118.33 2pkq s LEU 271 Ca -0.11 0.29 -0.31 0.00 -0.22 0.00 0.00 54.13 53.78 2pkq s LEU 271 Cb 0.02 -3.17 0.14 0.00 0.50 0.00 0.00 46.19 43.67 2pkq s LEU 271 CO 0.17 -0.67 1.10 -0.55 -1.32 0.00 0.00 176.35 175.08 2pkq s SER 272 N -4.20 -0.25 0.22 3.68 0.15 -0.75 -4.68 113.70 107.87 2pkq s SER 272 Ca 0.48 0.16 0.09 0.00 0.70 0.00 0.00 55.95 57.38 2pkq s SER 272 Cb -0.10 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.39 2pkq s SER 272 CO 0.38 -0.30 -0.01 -0.69 1.20 0.00 0.00 173.24 173.81 2pkq s VAL 273 N -1.77 3.53 -0.14 4.45 1.01 -1.26 0.29 120.40 126.51 2pkq s VAL 273 Ca 0.04 -1.68 -0.05 0.00 0.00 0.00 0.00 61.98 60.29 2pkq s VAL 273 Cb -0.01 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.62 2pkq s VAL 273 CO -0.04 -0.23 0.29 0.00 0.00 0.00 0.00 175.10 175.12 2pkq n ASP 275 N 5.33 1.70 -4.56 0.00 8.00 -1.26 -3.06 116.55 122.70 2pkq n ASP 275 Ca -0.07 0.20 -0.50 0.00 0.71 0.00 0.00 54.79 55.13 2pkq n ASP 275 Cb 0.50 -0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 2pkq n ASP 275 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pkq n GLU 276 N -3.31 1.52 -1.55 -1.24 -0.58 -1.26 -4.74 120.64 109.48 2pkq n GLU 276 Ca -0.30 0.48 -0.30 0.00 -0.42 0.00 0.00 57.16 56.62 2pkq n GLU 276 Cb 1.05 -2.60 -0.05 0.00 -0.57 0.00 0.00 31.44 29.27 2pkq n GLU 276 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2pkq n PRO 277 N 7.59 0.87 -0.65 3.49 -0.04 -1.26 -4.91 135.00 140.09 2pkq n PRO 277 Ca 0.33 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2pkq n PRO 277 Cb 0.27 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.28 2pkq n PRO 277 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pkq n LEU 278 N 16.53 0.00 -4.07 1.53 4.77 -1.26 -5.17 117.00 129.33 2pkq n LEU 278 Ca 0.41 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.28 2pkq n LEU 278 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 2pkq n LEU 278 CO 0.67 -0.10 0.06 0.68 -1.33 0.00 0.00 177.39 177.37 2pkq s VAL 279 N 0.81 0.00 0.00 4.08 -7.23 -1.26 -5.06 120.40 111.74 2pkq s VAL 279 Ca 0.00 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2pkq s VAL 279 Cb 0.00 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2pkq s VAL 279 CO 0.00 0.00 0.10 -1.20 -0.31 0.00 0.00 175.10 173.69 2pkq n SER 280 N -0.47 0.00 -0.42 4.85 7.64 -1.26 -0.61 113.62 123.35 2pkq n SER 280 Ca -0.00 0.10 0.33 0.00 1.01 0.00 0.00 58.87 60.31 2pkq n SER 280 Cb 0.63 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 64.35 2pkq n SER 280 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pkq n ILE 281 N -0.31 -0.05 1.07 0.44 0.13 -1.26 0.12 119.36 119.49 2pkq n ILE 281 Ca 0.00 1.06 0.08 0.00 -1.10 0.00 0.00 62.75 62.79 2pkq n ILE 281 Cb 0.00 -1.75 0.50 0.00 -0.84 0.00 0.00 39.64 37.55 2pkq n ILE 281 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 2pkq n ASP 282 N -3.51 0.00 -0.60 9.51 8.00 0.22 -3.00 116.55 127.18 2pkq n ASP 282 Ca 0.29 -0.54 0.09 0.00 0.71 0.00 0.00 54.79 55.34 2pkq n ASP 282 Cb 1.25 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 42.56 2pkq n ASP 282 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2pkq n PHE 283 N -0.99 0.59 -0.98 1.24 3.72 0.33 -4.97 117.46 116.39 2pkq n PHE 283 Ca 0.13 -0.97 -0.28 0.00 -0.05 0.00 0.00 57.45 56.28 2pkq n PHE 283 Cb 0.06 -0.26 0.21 0.00 -0.94 0.00 0.00 39.48 38.54 2pkq n PHE 283 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2pkq s ARG 284 N -2.88 -0.15 -0.70 -1.08 1.81 -1.16 -3.84 118.95 110.96 2pkq s ARG 284 Ca 0.39 0.55 -0.17 0.00 -1.72 0.00 0.00 55.73 54.78 2pkq s ARG 284 Cb 0.32 -1.67 0.02 0.00 -0.45 0.00 0.00 34.95 33.18 2pkq s ARG 284 CO 0.06 -3.13 0.31 0.00 -0.68 0.00 0.00 175.30 171.86 2pkq s THR 286 N -4.12 3.37 0.29 0.00 2.01 -1.25 -4.97 115.64 110.97 2pkq s THR 286 Ca 0.23 -1.83 0.09 0.00 0.31 0.00 0.00 61.69 60.50 2pkq s THR 286 Cb -0.13 -3.20 0.09 0.00 0.01 0.00 0.00 72.50 69.27 2pkq s THR 286 CO 0.54 -0.55 1.17 0.44 -0.69 0.00 0.00 174.62 175.53 2pkq h ASP 287 N 8.09 0.00 -3.43 3.53 3.32 -1.94 -3.36 116.42 122.63 2pkq h ASP 287 Ca -0.16 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.39 2pkq h ASP 287 Cb 1.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.62 2pkq h ASP 287 CO 0.67 0.00 0.02 0.68 -1.72 0.00 0.00 179.24 178.90 2pkq s VAL 288 N -3.41 4.93 0.04 -1.35 -7.23 -1.26 -4.87 120.40 107.25 2pkq s VAL 288 Ca -0.01 0.19 -0.16 0.00 -1.81 0.00 0.00 61.98 60.20 2pkq s VAL 288 Cb 0.03 -3.80 -0.32 0.00 0.56 0.00 0.00 36.38 32.85 2pkq s VAL 288 CO 0.09 -0.62 1.06 0.28 -0.31 0.00 0.00 175.10 175.59 2pkq h SER 289 N 0.85 0.86 -4.41 4.85 0.02 -1.27 -3.43 113.55 111.02 2pkq h SER 289 Ca -0.47 -0.86 -0.23 0.00 -0.84 0.00 0.00 61.79 59.39 2pkq h SER 289 Cb 1.20 -0.28 -0.24 0.00 0.14 0.00 0.00 62.40 63.22 2pkq h SER 289 CO 0.63 1.65 -0.72 -0.55 -1.14 0.00 0.00 176.83 176.70 2pkq s SER 290 N -7.48 0.32 -0.17 3.07 0.15 -0.97 -4.52 113.70 104.11 2pkq s SER 290 Ca -0.09 -0.30 -0.04 0.00 0.70 0.00 0.00 55.95 56.22 2pkq s SER 290 Cb 0.05 0.04 0.06 0.00 -1.71 0.00 0.00 66.02 64.45 2pkq s SER 290 CO 0.94 -0.14 0.07 -0.89 1.20 0.00 0.00 173.24 174.41 2pkq s THR 291 N -0.82 0.15 0.03 6.45 2.01 -0.57 -1.81 115.64 121.08 2pkq s THR 291 Ca -0.08 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 2pkq s THR 291 Cb -0.06 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 2pkq s THR 291 CO -0.00 -0.21 1.22 -0.63 -0.69 0.00 0.00 174.62 174.31 2pkq s ILE 292 N 2.03 4.02 -1.21 1.82 -1.09 0.15 -0.85 121.20 126.08 2pkq s ILE 292 Ca 0.01 1.43 -0.13 0.00 -2.23 0.00 0.00 60.65 59.73 2pkq s ILE 292 Cb -0.16 -3.92 0.18 0.00 -1.58 0.00 0.00 42.46 36.98 2pkq s ILE 292 CO -0.08 0.08 1.42 -0.67 -1.23 0.00 0.00 174.94 174.46 2pkq n ASP 293 N 4.31 5.25 -0.33 3.58 -0.08 -1.07 -0.98 116.55 127.23 2pkq n ASP 293 Ca 0.10 -2.99 -0.09 0.00 -1.51 0.00 0.00 54.79 50.31 2pkq n ASP 293 Cb 0.46 -1.55 -0.08 0.00 2.34 0.00 0.00 41.12 42.29 2pkq n ASP 293 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2pkq n SER 294 N 5.34 -0.83 0.01 1.67 3.41 -1.17 -0.65 113.62 121.39 2pkq n SER 294 Ca 0.36 1.41 0.00 0.00 -0.26 0.00 0.00 58.87 60.38 2pkq n SER 294 Cb 0.42 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.20 2pkq n SER 294 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2pkq n SER 295 N -4.95 0.02 -0.08 4.04 3.41 -1.26 -1.41 113.62 113.39 2pkq n SER 295 Ca 0.02 0.36 -0.10 0.00 -0.26 0.00 0.00 58.87 58.88 2pkq n SER 295 Cb 0.20 -0.36 -0.15 0.00 -0.26 0.00 0.00 64.21 63.64 2pkq n SER 295 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pkq n LEU 296 N -1.38 0.37 -4.65 1.04 4.77 0.18 -4.97 117.00 112.36 2pkq n LEU 296 Ca -0.00 0.11 -0.49 0.00 -0.03 0.00 0.00 56.01 55.60 2pkq n LEU 296 Cb 0.16 0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 2pkq n LEU 296 CO 0.00 0.49 1.14 0.41 -1.33 0.00 0.00 177.39 178.10 2pkq n THR 297 N -2.85 0.08 -3.80 -5.08 -1.04 -0.50 -4.84 114.28 96.26 2pkq n THR 297 Ca -0.29 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.05 61.58 2pkq n THR 297 Cb 1.12 -1.31 -0.10 0.00 -1.82 0.00 0.00 70.33 68.22 2pkq n THR 297 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pkq s MET 298 N 1.28 0.46 0.14 -2.82 0.23 -1.04 -4.92 119.30 112.63 2pkq s MET 298 Ca 0.83 0.00 0.08 0.00 -1.03 0.00 0.00 55.69 55.58 2pkq s MET 298 Cb -0.80 0.21 -0.04 0.00 -1.53 0.00 0.00 34.83 32.67 2pkq s MET 298 CO 0.44 -0.10 -0.09 0.08 -2.03 0.00 0.00 175.02 173.32 2pkq s VAL 299 N -0.69 3.33 -0.01 5.16 1.01 -1.26 -1.58 120.40 126.36 2pkq s VAL 299 Ca -0.08 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 60.47 2pkq s VAL 299 Cb -0.04 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 2pkq s VAL 299 CO 0.02 -0.01 -0.07 -0.04 0.00 0.00 0.00 175.10 175.00 2pkq s MET 300 N -2.55 0.67 -1.19 2.72 -1.94 0.17 -4.81 119.30 112.37 2pkq s MET 300 Ca 0.23 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 2pkq s MET 300 Cb -0.10 -0.65 0.00 0.00 2.01 0.00 0.00 34.83 36.09 2pkq s MET 300 CO 0.15 0.14 0.00 0.41 -0.01 0.00 0.00 175.02 175.71 2pkq n GLY 301 N 3.03 0.75 4.18 -0.03 0.00 -1.26 -1.81 105.19 110.05 2pkq n GLY 301 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2pkq n GLY 301 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkq n ASP 302 N -0.66 0.00 0.00 1.61 8.00 -1.26 -4.68 116.55 119.55 2pkq n ASP 302 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 2pkq n ASP 302 Cb 0.43 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 2pkq n ASP 302 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2pkq n ASP 303 N 0.01 0.14 -4.43 -2.24 5.75 -0.98 0.04 116.55 114.85 2pkq n ASP 303 Ca 0.00 -0.41 -0.44 0.00 -0.01 0.00 0.00 54.79 53.93 2pkq n ASP 303 Cb 0.00 0.84 -0.08 0.00 -1.03 0.00 0.00 41.12 40.85 2pkq n ASP 303 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2pkq s MET 304 N -0.87 3.00 -0.14 0.11 1.75 -0.75 -0.32 119.30 122.08 2pkq s MET 304 Ca 0.00 -1.14 -0.05 0.00 -1.25 0.00 0.00 55.69 53.24 2pkq s MET 304 Cb 0.00 -4.06 -0.04 0.00 2.84 0.00 0.00 34.83 33.57 2pkq s MET 304 CO 0.00 -0.94 0.05 0.08 -0.65 0.00 0.00 175.02 173.56 2pkq s VAL 305 N 1.79 4.68 -0.06 10.11 1.01 0.89 -0.66 120.40 138.17 2pkq s VAL 305 Ca 0.06 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2pkq s VAL 305 Cb -0.21 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2pkq s VAL 305 CO 0.09 0.53 -0.22 -0.75 0.00 0.00 0.00 175.10 174.75 2pkq s LYS 306 N -0.22 2.61 -0.04 2.72 2.20 -0.61 -0.99 119.74 125.41 2pkq s LYS 306 Ca 0.07 -0.85 0.01 0.00 -0.36 0.00 0.00 55.97 54.84 2pkq s LYS 306 Cb -0.12 -2.24 0.02 0.00 -1.51 0.00 0.00 37.83 33.98 2pkq s LYS 306 CO 0.02 0.41 -0.03 0.08 -0.36 0.00 0.00 175.35 175.46 2pkq s VAL 307 N -0.22 0.45 -0.01 4.02 1.01 -0.57 -2.50 120.40 122.58 2pkq s VAL 307 Ca -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2pkq s VAL 307 Cb -0.13 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2pkq s VAL 307 CO 0.03 0.20 0.16 -0.63 0.00 0.00 0.00 175.10 174.86 2pkq s ILE 308 N 0.88 5.26 -0.14 2.22 -1.09 -1.26 -1.67 121.20 125.40 2pkq s ILE 308 Ca -0.11 -0.22 -0.08 0.00 -2.23 0.00 0.00 60.65 58.01 2pkq s ILE 308 Cb -0.14 -3.44 0.05 0.00 -1.58 0.00 0.00 42.46 37.35 2pkq s ILE 308 CO -0.00 0.34 0.34 0.00 -1.23 0.00 0.00 174.94 174.39 2pkq s ALA 309 N -1.29 -0.85 0.39 9.38 0.00 -0.25 -2.58 121.76 126.55 2pkq s ALA 309 Ca 0.26 1.31 -0.00 0.00 0.00 0.00 0.00 51.96 53.53 2pkq s ALA 309 Cb -0.12 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 2pkq s ALA 309 CO 0.17 -0.24 0.61 -1.58 0.00 0.00 0.00 175.76 174.72 2pkq s TRP 310 N 1.33 3.44 -0.29 0.00 0.52 -0.03 -0.57 118.94 123.34 2pkq s TRP 310 Ca -0.09 0.37 -0.24 0.00 0.02 0.00 0.00 56.10 56.16 2pkq s TRP 310 Cb -0.09 -2.04 0.14 0.00 -1.15 0.00 0.00 33.47 30.33 2pkq s TRP 310 CO -0.11 -0.04 1.13 1.52 0.02 0.00 0.00 176.95 179.47 2pkq s TYR 311 N -2.42 -0.37 -0.96 -1.98 1.13 -0.15 -1.52 117.35 111.08 2pkq s TYR 311 Ca 0.43 0.88 -0.21 0.00 -1.41 0.00 0.00 57.07 56.77 2pkq s TYR 311 Cb -0.10 0.38 0.09 0.00 -1.10 0.00 0.00 41.96 41.24 2pkq s TYR 311 CO 0.37 -0.18 1.27 0.34 -2.51 0.00 0.00 175.55 174.84 2pkq s ASP 312 N 0.29 6.55 0.27 -0.18 -1.08 -1.26 -0.78 116.67 120.48 2pkq s ASP 312 Ca 0.03 -1.74 0.05 0.00 -0.52 0.00 0.00 52.55 50.38 2pkq s ASP 312 Cb -0.05 -2.48 0.29 0.00 -1.46 0.00 0.00 42.92 39.23 2pkq s ASP 312 CO -0.09 -1.28 0.96 -0.46 0.52 0.00 0.00 175.17 174.81 2pkq n ASN 313 N 7.63 0.14 -0.04 -0.34 6.94 -1.26 -2.03 115.26 126.30 2pkq n ASN 313 Ca 0.27 0.36 -0.05 0.00 -0.02 0.00 0.00 54.58 55.14 2pkq n ASN 313 Cb 0.50 -0.23 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 2pkq n ASN 313 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2pkq n GLU 314 N -1.77 0.27 0.21 -3.83 1.02 -1.26 -4.48 120.64 110.80 2pkq n GLU 314 Ca -0.00 0.11 -0.09 0.00 -0.02 0.00 0.00 57.16 57.16 2pkq n GLU 314 Cb 0.51 -0.94 -0.04 0.00 -0.02 0.00 0.00 31.44 30.95 2pkq n GLU 314 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2pkq h TRP 315 N -0.52 -0.53 -0.96 -0.32 2.91 -1.88 -1.69 115.95 112.96 2pkq h TRP 315 Ca 0.00 -0.01 0.27 0.00 1.13 0.00 0.00 58.89 60.27 2pkq h TRP 315 Cb 0.52 0.17 -0.14 0.00 -0.51 0.00 0.00 29.16 29.20 2pkq h TRP 315 CO -0.22 -0.33 0.48 0.78 -1.03 0.00 0.00 178.44 178.12 2pkq h GLY 316 N -0.76 1.80 0.78 2.65 0.00 -1.56 0.27 103.07 106.26 2pkq h GLY 316 Ca -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2pkq h GLY 316 CO 0.10 -0.36 -0.23 -1.82 0.00 0.00 0.00 176.54 174.23 2pkq h TYR 317 N 0.39 -0.59 -0.65 5.60 3.20 -1.57 -2.43 116.97 120.91 2pkq h TYR 317 Ca 0.65 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.63 2pkq h TYR 317 Cb 1.34 0.19 -0.13 0.00 1.54 0.00 0.00 36.73 39.68 2pkq h TYR 317 CO -0.08 -0.28 -0.20 0.77 -1.64 0.00 0.00 178.16 176.73 2pkq h SER 318 N -0.87 -0.74 -0.66 -2.11 0.02 0.24 1.36 113.55 110.80 2pkq h SER 318 Ca -0.06 0.21 0.19 0.00 -0.84 0.00 0.00 61.79 61.28 2pkq h SER 318 Cb 0.58 0.45 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 2pkq h SER 318 CO 0.11 -0.24 0.51 1.56 -1.14 0.00 0.00 176.83 177.63 2pkq h GLN 319 N -0.04 0.00 0.02 3.45 1.08 -0.47 0.36 115.11 119.51 2pkq h GLN 319 Ca 0.30 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.50 2pkq h GLN 319 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2pkq h GLN 319 CO -0.69 0.00 -0.01 0.00 -0.95 0.00 0.00 178.83 177.18 2pkq h ARG 320 N 0.00 -0.03 -0.53 1.46 2.47 0.22 -1.83 114.38 116.14 2pkq h ARG 320 Ca 0.31 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 59.14 2pkq h ARG 320 Cb 1.34 0.01 -0.11 0.00 -1.65 0.00 0.00 29.97 29.56 2pkq h ARG 320 CO -0.00 0.71 -0.29 0.28 0.56 0.00 0.00 179.97 181.23 2pkq h VAL 321 N -0.86 0.24 -0.40 2.04 2.07 0.18 0.41 116.25 119.92 2pkq h VAL 321 Ca -0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2pkq h VAL 321 Cb 0.75 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2pkq h VAL 321 CO 0.00 0.00 0.08 0.58 0.02 0.00 0.00 177.57 178.26 2pkq h VAL 322 N -0.16 0.79 -0.24 2.57 2.07 -0.47 -0.74 116.25 120.08 2pkq h VAL 322 Ca 0.23 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.71 2pkq h VAL 322 Cb 0.53 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2pkq h VAL 322 CO -0.62 0.04 0.17 0.44 0.02 0.00 0.00 177.57 177.61 2pkq h ASP 323 N 0.21 0.14 0.03 0.57 3.45 0.23 1.75 116.42 122.81 2pkq h ASP 323 Ca 0.19 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.65 2pkq h ASP 323 Cb 0.23 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 2pkq h ASP 323 CO -0.25 0.10 -0.02 0.25 -1.57 0.00 0.00 179.24 177.75 2pkq h LEU 324 N 0.17 -0.04 -1.41 1.55 5.85 0.91 -1.94 115.31 120.40 2pkq h LEU 324 Ca 0.10 -0.63 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 2pkq h LEU 324 Cb 0.21 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2pkq h LEU 324 CO -0.02 0.65 0.12 0.00 -0.34 0.00 0.00 178.44 178.85 2pkq h ALA 325 N 0.13 1.54 -0.61 1.25 0.00 -0.64 0.34 119.26 121.27 2pkq h ALA 325 Ca -0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2pkq h ALA 325 Cb 0.67 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2pkq h ALA 325 CO 0.01 0.36 0.40 0.22 0.00 0.00 0.00 179.25 180.24 2pkq h ASP 326 N 0.52 0.57 0.06 0.00 3.58 0.27 -2.35 116.42 119.07 2pkq h ASP 326 Ca 0.13 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2pkq h ASP 326 Cb 0.15 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2pkq h ASP 326 CO -0.01 0.39 -0.03 0.40 -2.88 0.00 0.00 179.24 177.11 2pkq h ILE 327 N 0.66 1.24 -1.19 2.25 2.04 0.42 -3.20 117.51 119.73 2pkq h ILE 327 Ca 0.25 -1.42 0.35 0.00 1.00 0.00 0.00 64.86 65.04 2pkq h ILE 327 Cb 0.17 2.12 -0.10 0.00 -0.74 0.00 0.00 36.82 38.26 2pkq h ILE 327 CO -0.07 0.33 0.78 0.58 0.00 0.00 0.00 178.15 179.77 2pkq h VAL 328 N -0.77 0.34 -0.41 1.67 2.07 -0.70 0.98 116.25 119.43 2pkq h VAL 328 Ca -0.01 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 2pkq h VAL 328 Cb 0.61 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2pkq h VAL 328 CO 0.01 0.04 -0.11 0.00 0.02 0.00 0.00 177.57 177.53 2pkq h ALA 329 N 1.58 1.03 -2.26 1.67 0.00 -1.44 -3.34 119.26 116.49 2pkq h ALA 329 Ca 0.69 -0.31 -0.46 0.00 0.00 0.00 0.00 54.91 54.82 2pkq h ALA 329 Cb 2.05 -0.17 0.06 0.00 0.00 0.00 0.00 17.79 19.74 2pkq h ALA 329 CO -0.31 0.59 0.18 -0.80 0.00 0.00 0.00 179.25 178.91 2pkq s ASN 330 N -6.71 5.25 -1.61 0.00 0.01 0.34 -4.02 114.94 108.20 2pkq s ASN 330 Ca -0.09 0.55 -0.13 0.00 -0.71 0.00 0.00 52.86 52.48 2pkq s ASN 330 Cb 0.14 -1.40 0.11 0.00 0.41 0.00 0.00 41.25 40.51 2pkq s ASN 330 CO 0.82 -1.28 0.69 0.29 -1.51 0.00 0.00 177.10 176.10 2pkq n LYS 331 N -2.70 -3.30 -4.03 -0.60 5.02 -1.26 -4.85 118.16 106.44 2pkq n LYS 331 Ca 0.06 0.39 -0.31 0.00 -2.02 0.00 0.00 58.31 56.43 2pkq n LYS 331 Cb 0.59 -4.94 -0.16 0.00 -0.02 0.00 0.00 35.03 30.50 2pkq n LYS 331 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 2pkq s TRP 332 N -3.49 2.49 -2.30 2.13 -0.11 -1.25 -4.22 118.94 112.20 2pkq s TRP 332 Ca 0.53 -1.58 0.18 0.00 1.22 0.00 0.00 56.10 56.45 2pkq s TRP 332 Cb -0.29 -1.70 0.15 0.00 -1.50 0.00 0.00 33.47 30.13 2pkq s TRP 332 CO 0.91 -0.75 1.08 0.00 -4.62 0.00 0.00 176.95 173.58