#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 4.12 -0.05 -0.35 2.96 0.00 -5.01 118.68 120.36 2pkq s LEU 1 Ca 0.00 0.47 -0.30 0.00 -0.22 0.00 0.00 54.13 54.08 2pkq s LEU 1 Cb 0.00 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 2pkq s LEU 1 CO 0.00 -0.12 1.17 -0.54 -1.32 0.00 0.00 176.35 175.54 2pkq s LYS 2 N 1.55 4.38 -0.03 1.98 1.02 -1.26 -1.10 119.74 126.28 2pkq s LYS 2 Ca 0.18 1.64 0.06 0.00 0.02 0.00 0.00 55.97 57.87 2pkq s LYS 2 Cb -0.15 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 2pkq s LYS 2 CO 0.08 -0.40 -0.22 0.08 -0.92 0.00 0.00 175.35 173.97 2pkq s VAL 3 N 2.04 2.36 0.16 3.17 1.01 0.18 -1.04 120.40 128.29 2pkq s VAL 3 Ca 0.55 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.63 2pkq s VAL 3 Cb -0.24 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2pkq s VAL 3 CO 0.22 0.58 -0.10 0.00 0.00 0.00 0.00 175.10 175.80 2pkq s ALA 4 N -0.60 2.92 -0.28 5.51 0.00 0.46 -1.20 121.76 128.57 2pkq s ALA 4 Ca 0.09 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.64 2pkq s ALA 4 Cb -0.11 -0.75 0.08 0.00 0.00 0.00 0.00 23.12 22.34 2pkq s ALA 4 CO -0.00 0.51 0.01 0.42 0.00 0.00 0.00 175.76 176.70 2pkq s ILE 5 N -1.57 1.53 -0.52 0.00 1.01 -0.61 -1.35 121.20 119.68 2pkq s ILE 5 Ca 0.24 -1.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.18 2pkq s ILE 5 Cb -0.09 -1.96 0.07 0.00 0.01 0.00 0.00 42.46 40.49 2pkq s ILE 5 CO 0.14 -0.37 0.60 0.21 0.00 0.00 0.00 174.94 175.53 2pkq s ASN 6 N 1.34 6.20 0.00 3.58 2.47 -0.85 -1.33 114.94 126.35 2pkq s ASN 6 Ca 0.02 -1.12 0.00 0.00 0.42 0.00 0.00 52.86 52.18 2pkq s ASN 6 Cb -0.18 -2.27 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 2pkq s ASN 6 CO -0.11 -0.89 0.00 0.61 -3.72 0.00 0.00 177.10 172.98 2pkq n GLY 7 N 5.20 1.27 2.83 1.21 0.00 -1.19 -0.70 105.19 113.81 2pkq n GLY 7 Ca -0.08 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 0.02 2.70 -4.02 1.61 7.35 -1.26 -4.01 117.46 119.84 2pkq n PHE 8 Ca 0.00 -2.73 -0.12 0.00 -0.76 0.00 0.00 57.45 53.85 2pkq n PHE 8 Cb 0.00 -1.74 -0.12 0.00 0.35 0.00 0.00 39.48 37.98 2pkq n PHE 8 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2pkq s GLY 9 N 0.06 0.33 0.00 7.13 0.00 -1.26 -4.73 107.32 108.85 2pkq s GLY 9 Ca 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.55 2pkq s GLY 9 CO 0.01 -0.61 0.00 0.54 0.00 0.00 0.00 173.10 173.05 2pkq n ARG 10 N 1.85 0.00 -0.34 2.90 5.12 -1.26 0.17 116.66 125.09 2pkq n ARG 10 Ca -0.21 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.76 2pkq n ARG 10 Cb 0.56 0.00 0.21 0.00 -1.16 0.00 0.00 32.46 32.06 2pkq n ARG 10 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 2pkq h ILE 11 N 0.00 0.95 -0.23 0.55 6.09 -1.92 2.29 117.51 125.25 2pkq h ILE 11 Ca 0.00 -0.33 -0.18 0.00 -1.37 0.00 0.00 64.86 62.97 2pkq h ILE 11 Cb 0.00 -0.11 0.00 0.00 0.47 0.00 0.00 36.82 37.18 2pkq h ILE 11 CO 0.00 0.18 -0.57 1.23 -3.07 0.00 0.00 178.15 175.91 2pkq h GLY 12 N 0.97 0.87 1.24 8.18 0.00 0.16 0.29 103.07 114.78 2pkq h GLY 12 Ca 0.46 -1.08 -0.24 0.00 0.00 0.00 0.00 47.33 46.47 2pkq h GLY 12 CO -0.24 0.96 -0.88 3.21 0.00 0.00 0.00 176.54 179.59 2pkq h ARG 13 N 0.53 0.72 -0.43 4.80 3.08 -1.37 -2.12 114.38 119.59 2pkq h ARG 13 Ca -0.01 -0.66 0.02 0.00 0.07 0.00 0.00 59.98 59.41 2pkq h ARG 13 Cb 1.19 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 2pkq h ARG 13 CO 0.12 1.25 0.29 -0.91 -1.07 0.00 0.00 179.97 179.66 2pkq h ASN 14 N 0.46 0.44 0.00 7.04 2.35 0.39 -1.30 115.58 124.96 2pkq h ASN 14 Ca -0.08 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2pkq h ASN 14 Cb 1.51 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.78 2pkq h ASN 14 CO 0.17 0.31 0.00 0.33 -1.65 0.00 0.00 177.43 176.60 2pkq n PHE 15 N -4.48 0.00 -0.26 1.19 7.35 0.08 -1.21 117.46 120.14 2pkq n PHE 15 Ca 0.04 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.86 2pkq n PHE 15 Cb 0.11 -0.25 0.25 0.00 0.35 0.00 0.00 39.48 39.94 2pkq n PHE 15 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2pkq n LEU 16 N -1.25 -0.05 0.27 -2.13 0.00 -0.83 0.14 117.00 113.15 2pkq n LEU 16 Ca 0.00 1.29 -0.16 0.00 0.00 0.00 0.00 56.01 57.14 2pkq n LEU 16 Cb 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 43.42 42.85 2pkq n LEU 16 CO 0.00 -1.32 0.67 0.03 0.00 0.00 0.00 177.39 176.78 2pkq h ARG 17 N 0.00 -0.63 -0.65 1.96 2.47 -1.19 -0.75 114.38 115.59 2pkq h ARG 17 Ca 0.48 0.04 0.13 0.00 -1.26 0.00 0.00 59.98 59.38 2pkq h ARG 17 Cb 1.03 0.14 -0.12 0.00 -1.65 0.00 0.00 29.97 29.37 2pkq h ARG 17 CO -0.70 -0.39 -0.12 0.00 0.56 0.00 0.00 179.97 179.32 2pkq h TRP 18 N 0.02 0.46 0.00 0.00 7.01 -0.84 -3.36 115.95 119.25 2pkq h TRP 18 Ca 0.32 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.30 2pkq h TRP 18 Cb 0.50 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 2pkq h TRP 18 CO -0.49 0.39 0.00 1.58 -2.79 0.00 0.00 178.44 177.13 2pkq n HIS 18 N -4.77 0.00 -1.82 2.65 -0.00 -0.30 -3.23 115.22 107.75 2pkq n HIS 18 Ca -0.01 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.90 2pkq n HIS 18 Cb 0.10 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.89 2pkq n HIS 18 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2pkq n GLY 19 N -0.72 0.75 3.18 1.57 0.00 -1.21 -4.82 105.19 103.94 2pkq n GLY 19 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 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 6.89 0.97 0.00 1.61 1.81 -1.20 -4.95 118.95 124.07 2pkq s ARG 20 Ca 0.71 -1.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.27 2pkq s ARG 20 Cb 0.00 -0.01 0.00 0.00 -0.45 0.00 0.00 34.95 34.49 2pkq s ARG 20 CO 0.16 -0.17 0.84 1.63 -0.68 0.00 0.00 175.30 177.08 2pkq n LYS 21 N -0.13 0.00 -2.67 3.54 5.02 -1.26 -4.71 118.16 117.95 2pkq n LYS 21 Ca -0.07 0.70 -0.04 0.00 -2.02 0.00 0.00 58.31 56.87 2pkq n LYS 21 Cb 0.63 -1.34 0.05 0.00 -0.02 0.00 0.00 35.03 34.35 2pkq n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2pkq n ASP 22 N -2.13 -1.32 -4.51 4.39 5.75 -1.26 -5.15 116.55 112.31 2pkq n ASP 22 Ca 0.00 -1.94 -0.49 0.00 -0.01 0.00 0.00 54.79 52.35 2pkq n ASP 22 Cb 0.00 1.12 -0.04 0.00 -1.03 0.00 0.00 41.12 41.17 2pkq n ASP 22 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2pkq n SER 23 N -0.12 0.32 0.14 -1.12 7.64 -1.26 -4.81 113.62 114.41 2pkq n SER 23 Ca -0.15 1.15 0.12 0.00 1.01 0.00 0.00 58.87 60.99 2pkq n SER 23 Cb 0.71 -1.11 0.52 0.00 -1.01 0.00 0.00 64.21 63.32 2pkq n SER 23 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2pkq n PRO 24 N 1.25 0.18 -1.77 1.43 -0.02 -1.26 -4.71 135.00 130.11 2pkq n PRO 24 Ca 0.15 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.79 2pkq n PRO 24 Cb 0.24 -1.90 0.04 0.00 -0.02 0.00 0.00 33.50 31.86 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 -4.50 3.33 -0.34 2.45 2.01 -1.26 -0.82 118.68 119.55 2pkq s LEU 25 Ca 0.03 1.81 0.05 0.00 0.01 0.00 0.00 54.13 56.03 2pkq s LEU 25 Cb 0.08 -4.53 0.18 0.00 0.01 0.00 0.00 46.19 41.93 2pkq s LEU 25 CO 0.34 -1.45 0.52 -0.62 1.01 0.00 0.00 176.35 176.16 2pkq s ASP 26 N -3.06 -0.63 0.06 2.29 2.15 -0.25 -4.65 116.67 112.57 2pkq s ASP 26 Ca 0.63 -0.56 -0.30 0.00 0.43 0.00 0.00 52.55 52.74 2pkq s ASP 26 Cb -0.17 1.54 -0.08 0.00 -0.30 0.00 0.00 42.92 43.91 2pkq s ASP 26 CO 0.45 -0.27 1.74 -0.69 -0.17 0.00 0.00 175.17 176.23 2pkq s VAL 27 N 2.21 3.00 0.00 1.11 1.01 -1.26 -0.65 120.40 125.83 2pkq s VAL 27 Ca 0.13 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2pkq s VAL 27 Cb -0.10 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2pkq s VAL 27 CO -0.17 -0.01 0.08 1.33 0.00 0.00 0.00 175.10 176.32 2pkq n VAL 28 N 4.96 0.00 -3.61 2.92 0.24 -0.34 -4.85 118.33 117.65 2pkq n VAL 28 Ca 0.17 -0.37 -0.16 0.00 -2.04 0.00 0.00 64.34 61.94 2pkq n VAL 28 Cb 0.40 1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 33.75 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 -0.60 0.01 0.06 3.34 0.11 -1.24 -0.95 120.40 121.13 2pkq s VAL 29 Ca 0.00 -0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.03 2pkq s VAL 29 Cb 0.00 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2pkq s VAL 29 CO 0.00 -0.04 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.89 2pkq s VAL 30 N -0.72 1.17 -0.72 2.04 1.01 -0.89 -1.57 120.40 120.73 2pkq s VAL 30 Ca -0.08 -1.24 0.05 0.00 0.00 0.00 0.00 61.98 60.71 2pkq s VAL 30 Cb -0.02 -1.10 0.19 0.00 0.00 0.00 0.00 36.38 35.44 2pkq s VAL 30 CO 0.06 -0.14 0.57 -3.20 0.00 0.00 0.00 175.10 172.39 2pkq n ASN 31 N 1.44 3.28 -4.35 3.32 5.15 -0.44 -1.46 115.26 122.20 2pkq n ASN 31 Ca -0.20 -3.25 -0.38 0.00 -0.60 0.00 0.00 54.58 50.15 2pkq n ASN 31 Cb 0.54 -0.77 -0.12 0.00 -0.53 0.00 0.00 39.78 38.90 2pkq n ASN 31 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2pkq s ASP 32 N -1.55 5.28 -0.40 1.20 -1.08 -1.16 -3.18 116.67 115.78 2pkq s ASP 32 Ca 0.28 -0.77 -0.18 0.00 -0.52 0.00 0.00 52.55 51.35 2pkq s ASP 32 Cb -0.01 -1.91 -0.18 0.00 -1.46 0.00 0.00 42.92 39.35 2pkq s ASP 32 CO -0.14 -0.23 1.67 -1.20 0.52 0.00 0.00 175.17 175.79 2pkq n SER 33 N 4.89 1.94 0.00 -0.34 7.64 -1.26 -2.87 113.62 123.62 2pkq n SER 33 Ca -0.14 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.31 2pkq n SER 33 Cb 0.47 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2pkq n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pkq n GLY 34 N 4.46 0.72 0.75 0.23 0.00 -1.26 -5.10 105.19 104.99 2pkq n GLY 34 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2pkq n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pkq n GLY 36 N 0.00 -2.85 0.25 -0.02 0.00 -1.14 -3.65 105.19 97.79 2pkq n GLY 36 Ca 0.00 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 2pkq n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pkq h VAL 37 N 0.00 1.27 0.00 1.61 2.07 -1.91 -1.93 116.25 117.37 2pkq h VAL 37 Ca 0.00 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.16 2pkq h VAL 37 Cb 0.00 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2pkq h VAL 37 CO 0.00 0.44 0.00 2.29 0.02 0.00 0.00 177.57 180.32 2pkq n LYS 38 N -4.10 0.00 -0.32 1.57 2.85 -1.26 0.48 118.16 117.38 2pkq n LYS 38 Ca -0.00 0.23 0.32 0.00 -1.05 0.00 0.00 58.31 57.82 2pkq n LYS 38 Cb 0.44 -1.15 0.70 0.00 -0.65 0.00 0.00 35.03 34.36 2pkq n LYS 38 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2pkq h SER 39 N 0.00 0.10 0.81 -5.58 0.87 -1.65 0.30 113.55 108.40 2pkq h SER 39 Ca 0.00 0.02 -0.24 0.00 -1.23 0.00 0.00 61.79 60.34 2pkq h SER 39 Cb 0.00 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2pkq h SER 39 CO 0.00 0.01 -1.14 0.00 -0.53 0.00 0.00 176.83 175.18 2pkq h ALA 40 N 1.46 0.24 0.13 6.23 0.00 -1.24 -3.27 119.26 122.81 2pkq h ALA 40 Ca 0.57 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2pkq h ALA 40 Cb 2.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2pkq h ALA 40 CO -0.08 1.13 -0.06 1.15 0.00 0.00 0.00 179.25 181.38 2pkq h THR 41 N 0.04 0.00 -0.67 0.00 2.02 0.37 -3.24 112.91 111.43 2pkq h THR 41 Ca -0.08 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 66.84 2pkq h THR 41 Cb 1.87 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.20 2pkq h THR 41 CO 0.16 0.00 -0.37 1.57 0.37 0.00 0.00 175.52 177.26 2pkq n HIS 42 N -3.39 -0.23 0.26 3.16 -0.00 -0.43 0.13 115.22 114.73 2pkq n HIS 42 Ca -0.02 0.83 0.08 0.00 -0.00 0.00 0.00 57.72 58.61 2pkq n HIS 42 Cb 0.07 -0.59 0.36 0.00 -0.00 0.00 0.00 29.99 29.82 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 -4.86 0.33 -0.02 0.27 4.77 -1.23 -0.53 117.00 115.73 2pkq n LEU 43 Ca 0.02 0.62 -0.08 0.00 -0.03 0.00 0.00 56.01 56.54 2pkq n LEU 43 Cb 0.19 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 2pkq n LEU 43 CO -0.10 -0.58 -0.52 -0.11 -1.33 0.00 0.00 177.39 174.75 2pkq n LEU 44 N -1.90 0.88 0.03 2.23 7.94 0.36 -4.37 117.00 122.16 2pkq n LEU 44 Ca 0.01 0.42 -0.21 0.00 -1.11 0.00 0.00 56.01 55.12 2pkq n LEU 44 Cb 0.11 0.17 -0.14 0.00 0.53 0.00 0.00 43.42 44.09 2pkq n LEU 44 CO 0.11 0.38 -0.20 0.50 -1.11 0.00 0.00 177.39 177.07 2pkq h LYS 45 N 0.00 0.27 -4.86 1.96 1.63 -0.03 -3.39 116.57 112.15 2pkq h LYS 45 Ca -0.28 -0.46 -0.68 0.00 -0.85 0.00 0.00 60.65 58.38 2pkq h LYS 45 Cb 2.01 0.17 -0.33 0.00 -0.60 0.00 0.00 32.23 33.48 2pkq h LYS 45 CO 0.08 1.22 -0.74 0.71 -3.45 0.00 0.00 179.45 177.27 2pkq s TYR 46 N -2.45 3.14 -0.11 1.91 2.02 0.31 0.12 117.35 122.29 2pkq s TYR 46 Ca -0.17 -1.75 0.01 0.00 -0.37 0.00 0.00 57.07 54.80 2pkq s TYR 46 Cb 0.03 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 2pkq s TYR 46 CO 0.80 -0.77 -0.15 0.34 -1.57 0.00 0.00 175.55 174.20 2pkq s ASP 47 N 1.27 2.42 0.57 2.29 -1.08 -1.26 -4.48 116.67 116.41 2pkq s ASP 47 Ca -0.02 -0.42 0.33 0.00 -0.52 0.00 0.00 52.55 51.91 2pkq s ASP 47 Cb -0.18 -1.08 1.75 0.00 -1.46 0.00 0.00 42.92 41.95 2pkq s ASP 47 CO -0.04 0.00 2.17 0.28 0.52 0.00 0.00 175.17 178.10 2pkq h SER 48 N 7.50 0.00 0.00 -0.34 0.02 -1.95 0.65 113.55 119.44 2pkq h SER 48 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2pkq h SER 48 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2pkq h SER 48 CO 0.49 0.05 -1.54 -0.38 -1.14 0.00 0.00 176.83 174.31 2pkq n ILE 49 N -3.48 0.00 -0.01 3.27 5.41 -1.26 -4.60 119.36 118.69 2pkq n ILE 49 Ca -0.02 -0.30 0.03 0.00 1.00 0.00 0.00 62.75 63.45 2pkq n ILE 49 Cb 0.18 0.26 -0.07 0.00 -0.71 0.00 0.00 39.64 39.30 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 -1.92 0.00 0.00 1.39 4.77 -1.18 -4.98 117.00 115.08 2pkq n LEU 50 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2pkq n LEU 50 Cb 0.35 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2pkq n LEU 50 CO 0.29 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2pkq n GLY 51 N 2.11 -1.74 1.49 -0.72 0.00 0.23 -4.91 105.19 101.65 2pkq n GLY 51 Ca -0.04 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.67 0.00 -1.97 2.61 -1.04 -1.26 -4.34 114.28 107.61 2pkq n THR 52 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2pkq n THR 52 Cb 0.00 -0.20 -0.03 0.00 -1.82 0.00 0.00 70.33 68.28 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 1.19 2.43 -1.22 -1.42 5.36 0.32 -4.93 117.98 119.72 2pkq s PHE 53 Ca 0.42 0.37 -0.18 0.00 -0.96 0.00 0.00 56.93 56.58 2pkq s PHE 53 Cb -0.60 -3.92 -0.01 0.00 -0.34 0.00 0.00 43.02 38.15 2pkq s PHE 53 CO 0.33 -3.68 1.97 1.63 -1.46 0.00 0.00 175.22 174.00 2pkq n LYS 54 N 5.72 2.47 0.00 10.12 5.02 -1.26 -4.85 118.16 135.37 2pkq n LYS 54 Ca 0.16 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 2pkq n LYS 54 Cb 0.41 -3.36 0.00 0.00 -0.02 0.00 0.00 35.03 32.07 2pkq n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pkq n ALA 55 N 8.53 0.00 -1.54 7.82 0.00 -1.26 -5.11 120.51 128.95 2pkq n ALA 55 Ca 0.49 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.48 2pkq n ALA 55 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 2pkq n ALA 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pkq n ASP 56 N 0.00 2.79 -4.09 0.00 9.92 -1.26 -4.86 116.55 119.04 2pkq n ASP 56 Ca 0.00 0.21 -0.35 0.00 -0.53 0.00 0.00 54.79 54.12 2pkq n ASP 56 Cb 0.00 -1.46 -0.13 0.00 -0.64 0.00 0.00 41.12 38.90 2pkq n ASP 56 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2pkq s VAL 57 N 8.36 3.00 0.22 2.53 1.01 -1.26 -0.45 120.40 133.80 2pkq s VAL 57 Ca 1.04 -2.14 0.09 0.00 0.00 0.00 0.00 61.98 60.97 2pkq s VAL 57 Cb -0.50 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2pkq s VAL 57 CO 0.39 -0.66 -0.05 -0.75 0.00 0.00 0.00 175.10 174.02 2pkq s LYS 58 N 1.07 2.18 -0.62 2.72 2.47 -0.76 -4.91 119.74 121.89 2pkq s LYS 58 Ca 0.09 -1.32 -0.20 0.00 -1.56 0.00 0.00 55.97 52.98 2pkq s LYS 58 Cb -0.22 -2.17 0.10 0.00 -1.46 0.00 0.00 37.83 34.08 2pkq s LYS 58 CO -0.05 0.41 0.78 0.42 0.16 0.00 0.00 175.35 177.07 2pkq s ILE 59 N -1.98 4.71 0.28 5.43 1.01 -1.26 -0.12 121.20 129.27 2pkq s ILE 59 Ca 0.28 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2pkq s ILE 59 Cb -0.08 -4.55 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 2pkq s ILE 59 CO 0.17 -1.22 0.47 -0.63 0.00 0.00 0.00 174.94 173.73 2pkq s ILE 60 N 2.97 5.15 0.00 2.92 1.01 -1.02 -4.94 121.20 127.29 2pkq s ILE 60 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2pkq s ILE 60 Cb -0.22 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2pkq s ILE 60 CO 0.06 -0.37 0.00 -0.67 0.00 0.00 0.00 174.94 173.96 2pkq n ASP 60 N -1.25 -2.99 -0.47 3.58 -0.08 -1.26 -2.35 116.55 111.73 2pkq n ASP 60 Ca -0.05 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.28 2pkq n ASP 60 Cb 0.55 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.09 2pkq n ASP 60 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2pkq n ASN 61 N -3.34 2.21 -2.69 1.67 5.15 -1.26 -4.57 115.26 112.43 2pkq n ASN 61 Ca 0.00 -1.64 -0.06 0.00 -0.60 0.00 0.00 54.58 52.28 2pkq n ASN 61 Cb 0.00 -0.08 0.11 0.00 -0.53 0.00 0.00 39.78 39.28 2pkq n ASN 61 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2pkq n GLU 62 N 0.51 1.12 -2.71 1.20 0.28 -1.25 -4.61 120.64 115.17 2pkq n GLU 62 Ca 0.08 -1.69 -0.05 0.00 -0.16 0.00 0.00 57.16 55.34 2pkq n GLU 62 Cb 0.31 -0.01 0.04 0.00 1.43 0.00 0.00 31.44 33.21 2pkq n GLU 62 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2pkq n THR 63 N -0.64 0.00 -1.41 3.84 -1.04 -0.99 -2.73 114.28 111.32 2pkq n THR 63 Ca -0.06 -0.85 -0.29 0.00 -2.04 0.00 0.00 64.05 60.81 2pkq n THR 63 Cb 0.83 1.05 0.19 0.00 -1.82 0.00 0.00 70.33 70.58 2pkq n THR 63 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2pkq s PHE 64 N 0.67 1.56 -0.08 -1.42 -0.12 -1.05 -2.43 117.98 115.11 2pkq s PHE 64 Ca 0.28 0.63 -0.04 0.00 -0.05 0.00 0.00 56.93 57.76 2pkq s PHE 64 Cb 0.14 -3.54 0.04 0.00 -0.63 0.00 0.00 43.02 39.03 2pkq s PHE 64 CO -0.12 -3.03 0.18 -1.54 -0.05 0.00 0.00 175.22 170.66 2pkq s SER 65 N -4.08 -0.17 -0.88 1.98 1.04 0.83 -0.85 113.70 111.57 2pkq s SER 65 Ca 0.69 0.38 -0.14 0.00 0.48 0.00 0.00 55.95 57.36 2pkq s SER 65 Cb -0.11 0.27 0.22 0.00 0.10 0.00 0.00 66.02 66.50 2pkq s SER 65 CO 0.55 -0.15 0.84 -0.63 0.98 0.00 0.00 173.24 174.83 2pkq s ILE 66 N 1.19 5.62 -0.33 -1.02 1.01 -0.64 -1.83 121.20 125.21 2pkq s ILE 66 Ca -0.09 -2.57 -0.02 0.00 0.00 0.00 0.00 60.65 57.97 2pkq s ILE 66 Cb -0.11 -4.51 0.00 0.00 0.01 0.00 0.00 42.46 37.85 2pkq s ILE 66 CO -0.07 -1.08 0.25 0.47 0.00 0.00 0.00 174.94 174.51 2pkq n ASP 67 N 3.94 -2.94 0.00 3.58 8.00 0.40 -3.77 116.55 125.76 2pkq n ASP 67 Ca 0.16 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2pkq n ASP 67 Cb 0.46 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 2pkq n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pkq n GLY 68 N -0.87 2.98 3.63 0.44 0.00 -1.26 -5.01 105.19 105.09 2pkq n GLY 68 Ca -0.00 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 2pkq n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pkq s LYS 69 N 0.00 3.62 0.73 1.61 1.02 -1.25 -4.93 119.74 120.55 2pkq s LYS 69 Ca 0.00 2.04 -0.11 0.00 0.02 0.00 0.00 55.97 57.92 2pkq s LYS 69 Cb 0.00 -4.20 0.03 0.00 -0.52 0.00 0.00 37.83 33.14 2pkq s LYS 69 CO 0.00 -1.53 1.08 -2.14 -0.92 0.00 0.00 175.35 171.84 2pkq s PRO 70 N 5.28 2.59 -0.22 -1.68 0.02 -1.26 -1.62 135.00 138.11 2pkq s PRO 70 Ca 0.87 1.09 -0.03 0.00 0.02 0.00 0.00 61.00 62.95 2pkq s PRO 70 Cb -0.32 -1.94 0.11 0.00 0.02 0.00 0.00 34.50 32.37 2pkq s PRO 70 CO 0.35 -1.38 0.31 0.42 -0.33 0.00 0.00 177.00 176.37 2pkq s ILE 71 N -2.93 -0.48 0.36 2.83 1.01 -0.03 -4.82 121.20 117.14 2pkq s ILE 71 Ca 0.60 -0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.92 2pkq s ILE 71 Cb -0.16 -0.74 -0.09 0.00 0.01 0.00 0.00 42.46 41.48 2pkq s ILE 71 CO 0.54 -0.14 1.13 -0.75 0.00 0.00 0.00 174.94 175.73 2pkq s LYS 72 N 2.45 4.26 -0.09 2.79 2.47 -0.12 -2.54 119.74 128.97 2pkq s LYS 72 Ca 0.09 1.78 -0.01 0.00 -1.56 0.00 0.00 55.97 56.28 2pkq s LYS 72 Cb -0.15 -2.82 0.03 0.00 -1.46 0.00 0.00 37.83 33.43 2pkq s LYS 72 CO -0.14 -0.12 -0.04 0.08 0.16 0.00 0.00 175.35 175.29 2pkq s VAL 73 N -1.38 0.71 0.46 4.02 1.01 -1.10 -2.09 120.40 122.03 2pkq s VAL 73 Ca 0.53 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.46 2pkq s VAL 73 Cb -0.30 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2pkq s VAL 73 CO 0.38 0.31 0.15 -0.69 0.00 0.00 0.00 175.10 175.24 2pkq s VAL 74 N 1.70 1.84 -0.23 2.92 1.01 -0.53 -4.80 120.40 122.31 2pkq s VAL 74 Ca 0.03 -1.79 -0.09 0.00 0.00 0.00 0.00 61.98 60.13 2pkq s VAL 74 Cb -0.13 -2.63 0.10 0.00 0.00 0.00 0.00 36.38 33.72 2pkq s VAL 74 CO -0.06 0.00 0.50 -0.55 0.00 0.00 0.00 175.10 175.00 2pkq s SER 75 N -3.93 -0.58 -0.29 3.32 0.15 -1.26 -3.00 113.70 108.10 2pkq s SER 75 Ca 0.30 1.19 -0.16 0.00 0.70 0.00 0.00 55.95 57.97 2pkq s SER 75 Cb 0.03 1.57 0.16 0.00 -1.71 0.00 0.00 66.02 66.08 2pkq s SER 75 CO 0.16 -0.23 1.04 0.21 1.20 0.00 0.00 173.24 175.63 2pkq s ASN 76 N 2.52 -0.42 0.54 5.45 3.84 -1.26 -5.00 114.94 120.61 2pkq s ASN 76 Ca -0.04 0.66 0.28 0.00 0.21 0.00 0.00 52.86 53.96 2pkq s ASN 76 Cb -0.11 1.20 1.52 0.00 -0.55 0.00 0.00 41.25 43.31 2pkq s ASN 76 CO -0.15 -0.10 2.11 0.03 -2.79 0.00 0.00 177.10 176.20 2pkq h ARG 77 N 5.98 0.00 -4.22 0.43 3.08 -2.00 -3.39 114.38 114.27 2pkq h ARG 77 Ca -0.27 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.03 2pkq h ARG 77 Cb 1.18 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.00 2pkq h ARG 77 CO 0.20 0.09 0.10 0.34 -1.07 0.00 0.00 179.97 179.63 2pkq s ASP 78 N -6.18 6.47 0.41 7.04 -1.08 -1.26 -4.93 116.67 117.14 2pkq s ASP 78 Ca -0.03 -2.12 0.30 0.00 -0.52 0.00 0.00 52.55 50.18 2pkq s ASP 78 Cb 0.14 -2.25 1.39 0.00 -1.46 0.00 0.00 42.92 40.74 2pkq s ASP 78 CO 0.58 -0.82 1.46 -2.65 0.52 0.00 0.00 175.17 174.26 2pkq n PRO 79 N 5.10 -0.04 -0.27 4.34 -0.02 -1.26 -0.27 135.00 142.59 2pkq n PRO 79 Ca 0.03 1.18 0.18 0.00 -2.02 0.00 0.00 63.50 62.87 2pkq n PRO 79 Cb 0.44 -2.32 0.48 0.00 -0.02 0.00 0.00 33.50 32.09 2pkq n PRO 79 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2pkq h LEU 80 N 0.00 0.47 -0.05 2.45 3.38 -1.92 0.38 115.31 120.02 2pkq h LEU 80 Ca 0.82 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.85 2pkq h LEU 80 Cb 2.63 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 43.34 2pkq h LEU 80 CO -0.45 0.18 -0.01 0.29 0.09 0.00 0.00 178.44 178.53 2pkq n LYS 81 N -4.55 0.67 -2.25 1.13 5.02 0.63 -4.74 118.16 114.07 2pkq n LYS 81 Ca 0.20 -0.05 -0.40 0.00 -2.02 0.00 0.00 58.31 56.05 2pkq n LYS 81 Cb 0.69 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 2pkq n LYS 81 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pkq s LEU 82 N -2.36 4.42 -0.02 -0.35 1.43 0.13 -4.93 118.68 117.00 2pkq s LEU 82 Ca 0.35 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 2pkq s LEU 82 Cb 0.21 -3.72 0.03 0.00 0.03 0.00 0.00 46.19 42.74 2pkq s LEU 82 CO 0.43 -0.46 1.35 -2.65 0.23 0.00 0.00 176.35 175.25 2pkq n PRO 83 N 0.76 1.06 -0.18 1.29 -0.02 -1.26 -4.53 135.00 132.12 2pkq n PRO 83 Ca 0.01 -0.14 -0.01 0.00 -2.02 0.00 0.00 63.50 61.33 2pkq n PRO 83 Cb 0.43 -1.06 0.08 0.00 -0.02 0.00 0.00 33.50 32.94 2pkq n PRO 83 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2pkq h TRP 84 N 0.37 0.13 0.09 6.00 -0.00 -1.90 -0.21 115.95 120.42 2pkq h TRP 84 Ca 0.03 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.95 2pkq h TRP 84 Cb 1.06 0.03 0.00 0.00 -0.00 0.00 0.00 29.16 30.24 2pkq h TRP 84 CO 0.14 -0.04 -0.04 0.00 -0.00 0.00 0.00 178.44 178.49 2pkq h ALA 85 N 1.44 -0.12 -0.61 1.49 0.00 -1.57 0.60 119.26 120.50 2pkq h ALA 85 Ca 0.28 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.14 2pkq h ALA 85 Cb 0.40 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 2pkq h ALA 85 CO -0.38 -0.40 -0.01 1.49 0.00 0.00 0.00 179.25 179.94 2pkq h GLU 86 N -0.45 0.10 0.00 0.00 4.81 -1.75 -0.07 114.58 117.23 2pkq h GLU 86 Ca -0.01 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2pkq h GLU 86 Cb 0.38 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2pkq h GLU 86 CO 0.02 0.07 -0.31 -0.07 -0.73 0.00 0.00 179.01 177.99 2pkq h LEU 87 N 0.10 0.00 -2.11 1.64 3.38 -1.03 -3.48 115.31 113.81 2pkq h LEU 87 Ca 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 2pkq h LEU 87 Cb 0.50 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.27 2pkq h LEU 87 CO -0.53 0.30 -0.09 0.61 0.09 0.00 0.00 178.44 178.82 2pkq n GLY 88 N 1.18 0.40 3.70 0.83 0.00 0.17 -4.99 105.19 106.47 2pkq n GLY 88 Ca 0.03 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.04 3.81 -0.13 -0.61 -1.09 0.10 -4.77 121.20 115.46 2pkq s ILE 89 Ca 0.01 1.22 -0.07 0.00 -2.23 0.00 0.00 60.65 59.58 2pkq s ILE 89 Cb -0.00 -3.79 -0.25 0.00 -1.58 0.00 0.00 42.46 36.84 2pkq s ILE 89 CO 0.08 0.03 0.32 0.47 -1.23 0.00 0.00 174.94 174.61 2pkq n ASP 90 N 4.90 2.11 -4.10 3.58 8.00 -0.20 -2.56 116.55 128.27 2pkq n ASP 90 Ca 0.12 0.20 -0.21 0.00 0.71 0.00 0.00 54.79 55.61 2pkq n ASP 90 Cb 0.44 -0.84 -0.14 0.00 -0.02 0.00 0.00 41.12 40.56 2pkq n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pkq s ILE 91 N -2.55 1.01 -0.13 0.53 1.01 -0.88 -0.91 121.20 119.29 2pkq s ILE 91 Ca -0.24 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.74 2pkq s ILE 91 Cb 0.07 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.68 2pkq s ILE 91 CO 0.75 0.18 -0.15 -0.69 0.00 0.00 0.00 174.94 175.02 2pkq s VAL 92 N -0.49 1.59 -0.86 2.92 1.01 -0.22 -0.40 120.40 123.94 2pkq s VAL 92 Ca 0.03 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 2pkq s VAL 92 Cb -0.06 -1.46 0.15 0.00 0.00 0.00 0.00 36.38 35.01 2pkq s VAL 92 CO 0.00 0.46 0.99 -0.63 0.00 0.00 0.00 175.10 175.92 2pkq s ILE 93 N 1.19 4.95 -0.95 2.22 -1.09 -0.46 -0.71 121.20 126.34 2pkq s ILE 93 Ca -0.02 -1.71 -0.24 0.00 -2.23 0.00 0.00 60.65 56.46 2pkq s ILE 93 Cb -0.14 -4.67 -0.01 0.00 -1.58 0.00 0.00 42.46 36.06 2pkq s ILE 93 CO -0.06 -1.35 1.77 -0.70 -1.23 0.00 0.00 174.94 173.37 2pkq s GLU 94 N 2.09 2.93 -0.73 2.79 -6.30 -0.17 -2.00 118.70 117.32 2pkq s GLU 94 Ca 0.27 -0.62 0.03 0.00 -2.50 0.00 0.00 54.97 52.15 2pkq s GLU 94 Cb -0.08 -5.18 0.31 0.00 0.00 0.00 0.00 34.13 29.18 2pkq s GLU 94 CO -0.07 -2.97 1.14 0.41 0.02 0.00 0.00 175.26 173.79 2pkq n GLY 95 N 6.83 5.52 0.00 -1.50 0.00 0.13 -2.28 105.19 113.89 2pkq n GLY 95 Ca 0.38 -2.73 -0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 0.16 0.01 -0.83 2.61 -2.24 -1.26 -4.50 114.28 108.24 2pkq n THR 96 Ca 0.34 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 2pkq n THR 96 Cb 0.36 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 2.90 0.56 0.57 3.38 0.00 -1.26 -4.89 105.19 106.45 2pkq n GLY 97 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 2pkq n GLY 97 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pkq n VAL 98 N -2.83 1.07 -2.67 1.61 0.31 -1.26 -4.82 118.33 109.75 2pkq n VAL 98 Ca 0.00 0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 63.95 2pkq n VAL 98 Cb 0.00 -1.83 -0.02 0.00 -0.91 0.00 0.00 33.84 31.08 2pkq n VAL 98 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2pkq s PHE 99 N -2.36 2.79 -0.02 3.52 0.08 -1.26 -4.62 117.98 116.12 2pkq s PHE 99 Ca -0.17 -1.26 0.03 0.00 0.12 0.00 0.00 56.93 55.65 2pkq s PHE 99 Cb 0.05 -4.60 0.04 0.00 -0.57 0.00 0.00 43.02 37.93 2pkq s PHE 99 CO 0.23 -1.78 0.88 1.33 -0.10 0.00 0.00 175.22 175.78 2pkq n VAL 100 N 6.31 0.77 -4.35 -0.44 0.24 -1.26 -4.25 118.33 115.35 2pkq n VAL 100 Ca 0.36 -0.82 -0.24 0.00 -2.04 0.00 0.00 64.34 61.59 2pkq n VAL 100 Cb 0.49 0.54 -0.09 0.00 -1.47 0.00 0.00 33.84 33.31 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 -0.98 4.17 0.06 -1.34 1.47 -1.26 0.50 116.67 119.29 2pkq s ASP 101 Ca 0.04 -0.96 -0.18 0.00 1.18 0.00 0.00 52.55 52.63 2pkq s ASP 101 Cb 0.04 -0.54 -0.07 0.00 -0.34 0.00 0.00 42.92 42.00 2pkq s ASP 101 CO 0.00 -0.19 1.30 1.23 0.68 0.00 0.00 175.17 178.19 2pkq h GLY 102 N 1.85 -1.26 -0.59 2.12 0.00 -1.97 -1.80 103.07 101.43 2pkq h GLY 102 Ca -0.43 0.64 0.14 0.00 0.00 0.00 0.00 47.33 47.68 2pkq h GLY 102 CO 0.66 -0.37 -0.28 -2.55 0.00 0.00 0.00 176.54 174.00 2pkq h PRO 103 N -0.36 -0.06 0.00 4.80 0.11 -1.98 -1.58 132.00 132.94 2pkq h PRO 103 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2pkq h PRO 103 Cb 0.39 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.51 2pkq h PRO 103 CO -0.20 -0.04 0.00 0.41 -0.21 0.00 0.00 178.00 177.96 2pkq n GLY 104 N -1.48 -2.56 0.61 -0.55 0.00 -1.07 -2.97 105.19 97.17 2pkq n GLY 104 Ca 0.08 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.50 2pkq n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkq h ALA 105 N -2.00 3.36 0.00 4.61 0.00 -1.37 1.49 119.26 125.35 2pkq h ALA 105 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2pkq h ALA 105 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pkq h ALA 105 CO 0.00 -1.98 0.00 0.78 0.00 0.00 0.00 179.25 178.05 2pkq h GLY 106 N 0.00 0.00 1.35 0.00 0.00 -1.28 -2.96 103.07 100.18 2pkq h GLY 106 Ca 0.69 0.00 0.05 0.00 0.00 0.00 0.00 47.33 48.07 2pkq h GLY 106 CO -0.01 0.00 0.28 0.50 0.00 0.00 0.00 176.54 177.31 2pkq h LYS 107 N 0.00 0.00 -0.15 4.80 1.57 0.22 0.47 116.57 123.49 2pkq h LYS 107 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2pkq h LYS 107 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2pkq h LYS 107 CO 0.00 0.00 -0.51 0.45 -0.57 0.00 0.00 179.45 178.82 2pkq h HIS 108 N 0.00 0.50 -0.19 -1.35 3.86 -1.68 -2.41 115.15 113.88 2pkq h HIS 108 Ca 0.08 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 2pkq h HIS 108 Cb 0.63 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2pkq h HIS 108 CO 0.00 0.83 -0.05 0.82 0.86 0.00 0.00 177.93 180.40 2pkq h ILE 109 N 0.32 1.29 -0.62 2.45 1.08 -0.26 -0.72 117.51 121.05 2pkq h ILE 109 Ca 0.01 -1.03 0.12 0.00 -0.39 0.00 0.00 64.86 63.57 2pkq h ILE 109 Cb 1.01 1.58 -0.04 0.00 -3.07 0.00 0.00 36.82 36.30 2pkq h ILE 109 CO 0.09 0.31 0.42 1.56 -0.69 0.00 0.00 178.15 179.84 2pkq h GLN 110 N 0.08 0.31 0.00 2.37 4.20 -1.34 0.32 115.11 121.05 2pkq h GLN 110 Ca 0.05 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2pkq h GLN 110 Cb 0.49 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2pkq h GLN 110 CO 0.02 0.21 0.00 0.00 -0.67 0.00 0.00 178.83 178.39 2pkq h ALA 111 N 1.70 1.00 0.00 3.87 0.00 -1.12 -3.46 119.26 121.25 2pkq h ALA 111 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2pkq h ALA 111 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2pkq h ALA 111 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2pkq n GLY 112 N 0.39 1.27 3.84 0.00 0.00 0.11 -2.45 105.19 108.36 2pkq n GLY 112 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.52 3.28 -0.15 4.61 0.00 -0.30 -3.74 121.76 123.94 2pkq s ALA 113 Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.96 2pkq s ALA 113 Cb 0.00 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.18 2pkq s ALA 113 CO 0.00 0.29 0.07 0.87 0.00 0.00 0.00 175.76 177.00 2pkq h LYS 114 N 2.31 0.00 -4.93 0.00 1.79 -1.56 -3.40 116.57 110.78 2pkq h LYS 114 Ca -0.48 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 57.60 2pkq h LYS 114 Cb 1.18 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.57 2pkq h LYS 114 CO 0.65 0.36 -0.78 0.15 -1.08 0.00 0.00 179.45 178.75 2pkq s LYS 115 N -2.11 0.76 -0.13 3.15 1.02 -0.09 -4.92 119.74 117.43 2pkq s LYS 115 Ca -0.15 -0.59 0.02 0.00 0.02 0.00 0.00 55.97 55.27 2pkq s LYS 115 Cb 0.02 -0.71 0.01 0.00 -0.52 0.00 0.00 37.83 36.63 2pkq s LYS 115 CO 0.31 0.18 -0.20 0.08 -0.92 0.00 0.00 175.35 174.81 2pkq s VAL 116 N -0.71 1.86 -0.23 3.17 1.01 -0.26 -1.06 120.40 124.19 2pkq s VAL 116 Ca -0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2pkq s VAL 116 Cb -0.07 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2pkq s VAL 116 CO 0.01 0.51 -0.01 -0.63 0.00 0.00 0.00 175.10 174.98 2pkq s ILE 117 N 0.89 3.62 -0.09 2.22 1.01 0.11 -1.56 121.20 127.39 2pkq s ILE 117 Ca -0.07 -0.43 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 2pkq s ILE 117 Cb -0.15 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 2pkq s ILE 117 CO -0.02 0.39 0.59 -0.63 0.00 0.00 0.00 174.94 175.26 2pkq s ILE 118 N 1.51 5.12 -1.06 2.92 1.01 0.10 -1.00 121.20 129.80 2pkq s ILE 118 Ca 0.06 1.19 -0.05 0.00 0.00 0.00 0.00 60.65 61.85 2pkq s ILE 118 Cb -0.15 -3.93 0.11 0.00 0.01 0.00 0.00 42.46 38.51 2pkq s ILE 118 CO -0.01 0.29 2.47 0.35 0.00 0.00 0.00 174.94 178.03 2pkq n THR 119 N 3.74 4.75 0.00 2.92 -2.24 -0.96 -1.94 114.28 120.54 2pkq n THR 119 Ca -0.04 -4.04 0.00 0.00 -2.27 0.00 0.00 64.05 57.70 2pkq n THR 119 Cb 0.51 -1.91 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 2pkq n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkq n ALA 120 N 1.38 0.00 -1.77 6.98 0.00 -1.22 -4.92 120.51 120.96 2pkq n ALA 120 Ca 0.58 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.63 2pkq n ALA 120 Cb 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 2pkq n ALA 120 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2pkq s PRO 121 N -2.00 4.42 0.40 0.00 0.02 -1.21 -4.18 135.00 132.45 2pkq s PRO 121 Ca 0.00 1.72 -0.24 0.00 0.02 0.00 0.00 61.00 62.51 2pkq s PRO 121 Cb 0.00 -2.92 -0.09 0.00 0.02 0.00 0.00 34.50 31.51 2pkq s PRO 121 CO 0.00 0.03 1.04 0.00 -0.33 0.00 0.00 177.00 177.74 2pkq s ALA 122 N -1.35 3.07 -0.45 -1.55 0.00 -1.26 -4.92 121.76 115.30 2pkq s ALA 122 Ca 0.50 0.67 0.23 0.00 0.00 0.00 0.00 51.96 53.36 2pkq s ALA 122 Cb -0.29 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 19.67 2pkq s ALA 122 CO 0.37 -0.18 1.09 1.17 0.00 0.00 0.00 175.76 178.21 2pkq n LYS 122 N -0.13 0.43 0.00 0.00 4.81 0.18 -4.86 118.16 118.59 2pkq n LYS 122 Ca 0.05 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2pkq n LYS 122 Cb 0.50 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.84 2pkq n LYS 122 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pkq n GLY 123 N 1.28 -0.15 0.00 3.14 0.00 -1.26 -5.00 105.19 103.21 2pkq n GLY 123 Ca 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2pkq n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pkq n SER 123 N 0.00 0.00 -0.08 1.61 3.41 -1.26 -4.88 113.62 112.41 2pkq n SER 123 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 2pkq n SER 123 Cb 0.00 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 64.57 2pkq n SER 123 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2pkq n ASP 124 N 0.00 0.36 -4.69 4.04 5.75 -1.26 -4.82 116.55 115.93 2pkq n ASP 124 Ca 0.00 -0.42 -0.36 0.00 -0.01 0.00 0.00 54.79 54.00 2pkq n ASP 124 Cb 0.00 -0.12 -0.09 0.00 -1.03 0.00 0.00 41.12 39.89 2pkq n ASP 124 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2pkq s ILE 125 N -2.55 5.37 0.24 2.12 1.01 -1.26 -5.05 121.20 121.08 2pkq s ILE 125 Ca 0.27 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 2pkq s ILE 125 Cb 0.20 -3.50 -0.09 0.00 0.01 0.00 0.00 42.46 39.07 2pkq s ILE 125 CO 0.49 0.38 1.26 -2.84 0.00 0.00 0.00 174.94 174.24 2pkq s PRO 126 N 0.75 4.43 -0.24 2.79 0.02 -1.26 -4.87 135.00 136.62 2pkq s PRO 126 Ca 0.09 2.04 -0.05 0.00 0.02 0.00 0.00 61.00 63.09 2pkq s PRO 126 Cb -0.12 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 31.22 2pkq s PRO 126 CO 0.02 -0.15 -0.00 0.99 -0.33 0.00 0.00 177.00 177.53 2pkq s THR 127 N -0.41 3.61 0.20 0.99 2.01 -1.26 -1.22 115.64 119.56 2pkq s THR 127 Ca 0.52 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 62.09 2pkq s THR 127 Cb -0.36 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 2pkq s THR 127 CO 0.42 0.33 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.34 2pkq s TYR 128 N 1.49 2.74 -0.39 4.92 2.02 -0.41 -4.60 117.35 123.13 2pkq s TYR 128 Ca 0.05 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 2pkq s TYR 128 Cb -0.15 -1.30 0.16 0.00 -0.40 0.00 0.00 41.96 40.27 2pkq s TYR 128 CO -0.01 0.54 0.36 0.08 -1.57 0.00 0.00 175.55 174.95 2pkq s VAL 129 N -1.89 -0.07 0.04 0.71 1.01 -1.26 -3.82 120.40 115.11 2pkq s VAL 129 Ca 0.28 -1.71 -0.22 0.00 0.00 0.00 0.00 61.98 60.33 2pkq s VAL 129 Cb -0.08 -0.90 -0.12 0.00 0.00 0.00 0.00 36.38 35.28 2pkq s VAL 129 CO 0.18 -0.84 0.55 0.52 0.00 0.00 0.00 175.10 175.51 2pkq n VAL 130 N 3.61 0.36 0.00 2.92 0.31 -1.26 -0.48 118.33 123.79 2pkq n VAL 130 Ca 0.18 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2pkq n VAL 130 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 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 1.00 2.86 0.00 2.92 0.00 -1.26 -4.88 105.19 105.84 2pkq n GLY 131 Ca 0.12 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 0.00 -2.66 1.61 0.31 0.37 -4.89 118.33 113.07 2pkq n VAL 132 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 2pkq n VAL 132 Cb 0.00 -0.57 -0.01 0.00 -0.91 0.00 0.00 33.84 32.35 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 -0.75 4.43 0.09 4.52 2.04 -1.24 -4.81 115.26 119.53 2pkq n ASN 133 Ca 0.00 -3.66 -0.08 0.00 -0.44 0.00 0.00 54.58 50.40 2pkq n ASN 133 Cb 0.00 -0.50 -0.00 0.00 -2.53 0.00 0.00 39.78 36.75 2pkq n ASN 133 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 2pkq h GLU 134 N 2.74 0.18 -0.87 -3.83 9.09 -1.90 -3.21 114.58 116.78 2pkq h GLU 134 Ca 0.22 -0.19 0.15 0.00 0.05 0.00 0.00 59.36 59.59 2pkq h GLU 134 Cb 0.79 0.06 -0.10 0.00 -1.65 0.00 0.00 28.75 27.85 2pkq h GLU 134 CO 0.82 0.93 0.46 -0.22 0.05 0.00 0.00 179.01 181.06 2pkq h LYS 135 N 0.10 0.63 0.00 1.06 1.63 -1.98 -0.97 116.57 117.04 2pkq h LYS 135 Ca -0.04 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2pkq h LYS 135 Cb 1.49 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 2pkq h LYS 135 CO 0.13 0.42 0.11 -0.25 -3.45 0.00 0.00 179.45 176.41 2pkq n ASP 136 N -4.85 0.00 -4.57 4.20 9.92 -1.21 -4.37 116.55 115.67 2pkq n ASP 136 Ca 0.18 0.10 -0.35 0.00 -0.53 0.00 0.00 54.79 54.19 2pkq n ASP 136 Cb 0.45 -0.10 -0.11 0.00 -0.64 0.00 0.00 41.12 40.72 2pkq n ASP 136 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2pkq s TYR 137 N -1.91 3.18 -0.09 1.24 5.04 -0.37 -5.08 117.35 119.37 2pkq s TYR 137 Ca 0.00 -0.08 -0.09 0.00 -2.44 0.00 0.00 57.07 54.46 2pkq s TYR 137 Cb 0.00 -2.13 0.02 0.00 0.35 0.00 0.00 41.96 40.20 2pkq s TYR 137 CO 0.00 -0.02 0.24 0.20 -1.34 0.00 0.00 175.55 174.64 2pkq s GLY 138 N 0.79 -0.18 0.95 8.97 0.00 -1.26 -5.05 107.32 111.55 2pkq s GLY 138 Ca 0.03 0.67 -0.16 0.00 0.00 0.00 0.00 44.72 45.26 2pkq s GLY 138 CO 0.02 0.57 -0.47 1.57 0.00 0.00 0.00 173.10 174.79 2pkq n HIS 139 N 2.88 -4.16 0.00 1.90 -0.00 -1.26 -1.48 115.22 113.09 2pkq n HIS 139 Ca -0.13 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.11 2pkq n HIS 139 Cb 0.58 -1.54 0.00 0.00 -0.12 0.00 0.00 29.99 28.92 2pkq n HIS 139 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2pkq n ASP 139 N 2.29 0.00 -4.45 0.26 8.00 -1.26 -4.91 116.55 116.48 2pkq n ASP 139 Ca 0.01 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.08 2pkq n ASP 139 Cb 0.55 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.57 2pkq n ASP 139 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pkq s VAL 140 N -0.44 4.41 0.26 2.53 1.01 -0.55 -4.85 120.40 122.78 2pkq s VAL 140 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2pkq s VAL 140 Cb 0.00 -4.71 0.00 0.00 0.00 0.00 0.00 36.38 31.67 2pkq s VAL 140 CO 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 175.10 173.63 2pkq n ALA 141 N 7.46 -1.57 -0.98 5.51 0.00 -1.26 -4.75 120.51 124.92 2pkq n ALA 141 Ca 0.02 0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.80 2pkq n ALA 141 Cb 0.46 -1.07 0.34 0.00 0.00 0.00 0.00 19.45 19.18 2pkq n ALA 141 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pkq n ASN 142 N 0.07 4.99 -3.59 0.00 3.02 -1.26 -4.82 115.26 113.66 2pkq n ASN 142 Ca 0.00 -3.04 -0.20 0.00 -0.03 0.00 0.00 54.58 51.31 2pkq n ASN 142 Cb 0.00 -0.66 -0.15 0.00 -0.61 0.00 0.00 39.78 38.36 2pkq n ASN 142 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pkq s ILE 143 N -2.85 -0.24 0.20 2.41 1.01 -1.26 -1.10 121.20 119.38 2pkq s ILE 143 Ca 0.51 0.07 0.07 0.00 0.00 0.00 0.00 60.65 61.30 2pkq s ILE 143 Cb 0.40 -0.49 -0.05 0.00 0.01 0.00 0.00 42.46 42.34 2pkq s ILE 143 CO 0.13 -0.08 -0.12 0.27 0.00 0.00 0.00 174.94 175.14 2pkq s ILE 144 N 2.26 1.56 -0.12 2.92 -4.36 -0.60 -3.98 121.20 118.89 2pkq s ILE 144 Ca 0.04 -2.16 0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2pkq s ILE 144 Cb -0.14 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.53 2pkq s ILE 144 CO -0.09 -0.59 -0.16 -0.55 0.24 0.00 0.00 174.94 173.79 2pkq s SER 145 N -3.29 2.58 -0.04 4.36 0.15 -0.36 0.00 113.70 117.11 2pkq s SER 145 Ca 0.22 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2pkq s SER 145 Cb 0.01 -1.16 0.06 0.00 -1.71 0.00 0.00 66.02 63.21 2pkq s SER 145 CO 0.06 0.02 1.02 -3.20 1.20 0.00 0.00 173.24 172.34 2pkq n ASN 146 N 4.21 2.85 0.00 5.45 2.85 -0.82 -1.28 115.26 128.51 2pkq n ASN 146 Ca -0.19 -2.13 0.00 0.00 -0.11 0.00 0.00 54.58 52.15 2pkq n ASN 146 Cb 0.51 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 41.01 2pkq n ASN 146 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pkq n ALA 147 N 0.32 0.00 -2.64 5.20 0.00 -1.25 -4.83 120.51 117.31 2pkq n ALA 147 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 2pkq n ALA 147 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 2pkq n ALA 147 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pkq s SER 148 N -4.00 4.92 0.16 0.00 0.15 -1.26 -3.31 113.70 110.37 2pkq s SER 148 Ca 0.00 -0.56 -0.13 0.00 0.70 0.00 0.00 55.95 55.96 2pkq s SER 148 Cb 0.00 -0.97 0.05 0.00 -1.71 0.00 0.00 66.02 63.39 2pkq s SER 148 CO 0.00 -0.13 1.73 0.00 1.20 0.00 0.00 173.24 176.04 2pkq h THR 150 N 0.71 0.62 -0.71 0.00 2.02 -1.95 -2.86 112.91 110.72 2pkq h THR 150 Ca 0.18 -0.67 0.11 0.00 0.77 0.00 0.00 66.41 66.81 2pkq h THR 150 Cb 0.15 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 2pkq h THR 150 CO -0.02 0.12 0.47 0.74 0.37 0.00 0.00 175.52 177.20 2pkq h THR 151 N -0.84 0.88 0.00 3.16 2.02 -1.75 0.37 112.91 116.75 2pkq h THR 151 Ca -0.04 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2pkq h THR 151 Cb 0.52 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2pkq h THR 151 CO 0.07 0.09 0.00 -3.20 0.37 0.00 0.00 175.52 172.86 2pkq n ASN 152 N -4.49 0.00 -0.11 4.18 4.05 0.85 -1.26 115.26 118.49 2pkq n ASN 152 Ca 0.12 0.29 -0.12 0.00 0.45 0.00 0.00 54.58 55.33 2pkq n ASN 152 Cb 0.41 -0.42 -0.15 0.00 1.23 0.00 0.00 39.78 40.85 2pkq n ASN 152 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pkq h LEU 154 N 0.00 -0.03 -0.08 0.00 5.85 -0.59 -3.39 115.31 117.08 2pkq h LEU 154 Ca -0.56 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.17 2pkq h LEU 154 Cb 2.16 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 43.19 2pkq h LEU 154 CO 0.00 0.10 -0.05 0.00 -0.34 0.00 0.00 178.44 178.15 2pkq n ALA 155 N -2.20 -0.05 -0.15 1.25 0.00 -0.39 -0.87 120.51 118.10 2pkq n ALA 155 Ca -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.46 2pkq n ALA 155 Cb 0.01 0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 2pkq n ALA 155 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2pkq n PRO 156 N -2.91 -0.16 0.02 0.00 -0.02 -1.26 0.02 135.00 130.70 2pkq n PRO 156 Ca 0.00 1.10 0.12 0.00 -2.02 0.00 0.00 63.50 62.70 2pkq n PRO 156 Cb 0.02 -1.63 0.51 0.00 -0.02 0.00 0.00 33.50 32.38 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 -3.78 0.17 0.05 6.00 1.16 -0.70 -2.34 117.46 118.01 2pkq n PHE 157 Ca 0.01 0.05 -0.15 0.00 -1.87 0.00 0.00 57.45 55.49 2pkq n PHE 157 Cb 0.09 -0.59 -0.05 0.00 -1.61 0.00 0.00 39.48 37.32 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 0.00 1.36 0.00 1.97 2.07 0.14 -2.92 116.25 118.87 2pkq h VAL 158 Ca 0.00 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.21 2pkq h VAL 158 Cb 0.46 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2pkq h VAL 158 CO 0.00 0.70 0.00 1.17 0.02 0.00 0.00 177.57 179.46 2pkq n LYS 159 N -3.80 0.00 -0.51 1.57 4.81 0.10 -2.18 118.16 118.15 2pkq n LYS 159 Ca -0.07 0.43 0.41 0.00 -0.87 0.00 0.00 58.31 58.21 2pkq n LYS 159 Cb 0.82 -1.43 0.68 0.00 0.02 0.00 0.00 35.03 35.12 2pkq n LYS 159 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2pkq n VAL 160 N -1.79 -0.16 0.34 3.15 0.31 -1.15 -0.20 118.33 118.82 2pkq n VAL 160 Ca 0.00 1.60 -0.15 0.00 -0.01 0.00 0.00 64.34 65.78 2pkq n VAL 160 Cb 0.00 -2.63 -0.08 0.00 -0.91 0.00 0.00 33.84 30.22 2pkq n VAL 160 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2pkq h LEU 161 N 0.00 -0.75 -0.31 7.52 3.38 -1.28 -2.81 115.31 121.07 2pkq h LEU 161 Ca 0.84 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.76 2pkq h LEU 161 Cb 2.93 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 43.86 2pkq h LEU 161 CO -0.31 -0.39 0.01 -0.78 0.09 0.00 0.00 178.44 177.06 2pkq h ASP 162 N -1.14 0.52 0.25 -0.43 3.58 -0.08 -1.21 116.42 117.91 2pkq h ASP 162 Ca -0.09 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2pkq h ASP 162 Cb 0.71 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2pkq h ASP 162 CO 0.15 0.70 0.00 1.21 -2.88 0.00 0.00 179.24 178.41 2pkq n GLU 163 N -4.57 0.07 -1.75 0.28 2.13 0.18 -0.78 120.64 116.20 2pkq n GLU 163 Ca -0.02 0.27 -0.01 0.00 0.66 0.00 0.00 57.16 58.05 2pkq n GLU 163 Cb 0.25 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.48 2pkq n GLU 163 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2pkq n GLU 164 N -1.39 0.51 0.00 5.31 1.02 -1.06 -4.89 120.64 120.13 2pkq n GLU 164 Ca 0.03 -1.82 0.00 0.00 -0.02 0.00 0.00 57.16 55.35 2pkq n GLU 164 Cb 0.09 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.46 2pkq n GLU 164 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2pkq n LEU 165 N -0.16 0.00 -1.94 -4.62 7.94 -0.48 -4.94 117.00 112.80 2pkq n LEU 165 Ca -0.08 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.80 2pkq n LEU 165 Cb 0.91 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.84 2pkq n LEU 165 CO -0.07 0.00 -0.31 0.61 -1.11 0.00 0.00 177.39 176.51 2pkq n GLY 166 N -0.00 -4.13 3.57 -3.96 0.00 0.04 -1.68 105.19 99.03 2pkq n GLY 166 Ca 0.00 0.48 -0.43 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.31 4.48 0.03 -0.61 1.01 -1.26 -0.06 121.20 124.48 2pkq s ILE 167 Ca -0.11 0.86 -0.29 0.00 0.00 0.00 0.00 60.65 61.11 2pkq s ILE 167 Cb 0.01 -4.43 -0.17 0.00 0.01 0.00 0.00 42.46 37.88 2pkq s ILE 167 CO 0.30 -0.79 1.32 0.58 0.00 0.00 0.00 174.94 176.35 2pkq h VAL 168 N 6.04 0.27 0.00 2.92 2.07 -1.81 -3.47 116.25 122.27 2pkq h VAL 168 Ca -0.24 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2pkq h VAL 168 Cb 1.08 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2pkq h VAL 168 CO 1.02 0.03 0.00 2.29 0.02 0.00 0.00 177.57 180.93 2pkq n LYS 169 N -5.38 0.00 -3.64 1.57 -0.00 -1.25 -4.98 118.16 104.48 2pkq n LYS 169 Ca -0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.18 2pkq n LYS 169 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.38 2pkq n LYS 169 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2pkq s GLY 170 N 0.00 -0.36 0.53 2.58 0.00 -1.04 -2.28 107.32 106.74 2pkq s GLY 170 Ca 0.00 0.70 0.08 0.00 0.00 0.00 0.00 44.72 45.51 2pkq s GLY 170 CO 0.00 0.16 0.61 -1.08 0.00 0.00 0.00 173.10 172.79 2pkq s THR 171 N -2.64 2.19 -0.04 0.90 -1.32 -0.99 -3.57 115.64 110.17 2pkq s THR 171 Ca 0.13 -1.17 -0.29 0.00 -1.21 0.00 0.00 61.69 59.15 2pkq s THR 171 Cb 0.03 -2.36 0.10 0.00 -1.51 0.00 0.00 72.50 68.75 2pkq s THR 171 CO -0.03 0.00 0.85 0.00 -2.21 0.00 0.00 174.62 173.23 2pkq s MET 172 N -4.46 0.85 0.12 7.08 0.23 -0.49 -0.62 119.30 122.01 2pkq s MET 172 Ca 0.52 -0.08 0.03 0.00 -1.03 0.00 0.00 55.69 55.13 2pkq s MET 172 Cb -0.05 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 2pkq s MET 172 CO 0.32 -0.32 -0.07 0.99 -2.03 0.00 0.00 175.02 173.91 2pkq s THR 173 N -2.21 0.83 -0.21 3.16 2.01 -0.85 -2.82 115.64 115.54 2pkq s THR 173 Ca -0.01 -1.97 -0.04 0.00 0.31 0.00 0.00 61.69 59.98 2pkq s THR 173 Cb -0.01 -1.75 0.10 0.00 0.01 0.00 0.00 72.50 70.85 2pkq s THR 173 CO -0.03 -0.82 0.23 0.28 -0.69 0.00 0.00 174.62 173.59 2pkq s THR 174 N -3.54 -0.33 -0.56 -0.82 -1.32 -1.23 0.52 115.64 108.36 2pkq s THR 174 Ca 0.14 -0.15 -0.28 0.00 -1.21 0.00 0.00 61.69 60.19 2pkq s THR 174 Cb 0.05 -0.70 0.01 0.00 -1.51 0.00 0.00 72.50 70.34 2pkq s THR 174 CO -0.03 -0.23 1.42 -0.89 -2.21 0.00 0.00 174.62 172.69 2pkq s THR 175 N 2.33 3.78 -0.08 5.08 2.01 -0.42 -0.73 115.64 127.61 2pkq s THR 175 Ca 0.07 0.66 0.02 0.00 0.31 0.00 0.00 61.69 62.75 2pkq s THR 175 Cb -0.16 -4.43 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 2pkq s THR 175 CO -0.14 -1.16 -0.11 -2.28 -0.69 0.00 0.00 174.62 170.24 2pkq s HIS 176 N 6.10 2.81 0.34 4.92 5.04 0.14 -1.62 115.29 133.02 2pkq s HIS 176 Ca 0.53 -0.21 -0.29 0.00 -1.54 0.00 0.00 55.06 53.54 2pkq s HIS 176 Cb -0.11 -1.72 -0.11 0.00 0.04 0.00 0.00 32.58 30.68 2pkq s HIS 176 CO 0.25 0.13 1.54 0.43 -2.34 0.00 0.00 174.74 174.75 2pkq n SER 177 N 2.61 3.84 -4.61 9.88 7.64 -1.26 -1.68 113.62 130.05 2pkq n SER 177 Ca -0.18 1.19 -0.31 0.00 1.01 0.00 0.00 58.87 60.59 2pkq n SER 177 Cb 0.52 -1.61 0.16 0.00 -1.01 0.00 0.00 64.21 62.28 2pkq n SER 177 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pkq n TYR 178 N 1.16 0.35 -4.11 1.43 0.18 -1.16 -4.83 117.16 110.18 2pkq n TYR 178 Ca 0.04 0.35 -0.09 0.00 1.88 0.00 0.00 57.90 60.09 2pkq n TYR 178 Cb 0.38 -1.95 -0.10 0.00 -0.38 0.00 0.00 39.34 37.29 2pkq n TYR 178 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2pkq s THR 179 N -2.58 0.40 0.48 -3.48 -4.23 -1.26 -4.74 115.64 100.23 2pkq s THR 179 Ca 0.65 -1.80 0.42 0.00 -1.18 0.00 0.00 61.69 59.78 2pkq s THR 179 Cb -0.23 -1.51 0.63 0.00 1.34 0.00 0.00 72.50 72.73 2pkq s THR 179 CO 0.60 -0.92 1.43 0.61 -0.54 0.00 0.00 174.62 175.80 2pkq n GLY 180 N 0.14 -0.88 0.00 3.99 0.00 -1.26 0.21 105.19 107.40 2pkq n GLY 180 Ca -0.14 0.65 0.10 0.00 0.00 0.00 0.00 46.02 46.63 2pkq n GLY 180 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pkq n ASP 181 N -3.96 0.00 -4.92 1.61 5.75 -1.26 -4.76 116.55 109.01 2pkq n ASP 181 Ca 0.40 -0.15 -0.28 0.00 -0.01 0.00 0.00 54.79 54.76 2pkq n ASP 181 Cb 1.75 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 41.60 2pkq n ASP 181 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2pkq s GLN 182 N -2.43 3.55 0.44 0.11 -0.21 0.13 -4.92 119.66 116.34 2pkq s GLN 182 Ca 0.21 -0.25 -0.21 0.00 0.02 0.00 0.00 55.36 55.13 2pkq s GLN 182 Cb 0.13 -2.79 -0.10 0.00 1.00 0.00 0.00 33.01 31.25 2pkq s GLN 182 CO 0.28 0.35 0.98 0.50 -2.12 0.00 0.00 175.29 175.27 2pkq s ARG 183 N -3.41 4.11 0.04 2.91 6.06 -0.02 -4.90 118.95 123.74 2pkq s ARG 183 Ca 0.40 1.21 -0.15 0.00 -2.50 0.00 0.00 55.73 54.69 2pkq s ARG 183 Cb -0.11 -2.19 -0.34 0.00 0.06 0.00 0.00 34.95 32.38 2pkq s ARG 183 CO 0.29 -0.14 1.03 1.25 -2.50 0.00 0.00 175.30 175.23 2pkq h LEU 184 N 1.86 0.83 -8.23 -0.88 5.85 -1.89 -0.52 115.31 112.33 2pkq h LEU 184 Ca -0.49 -0.87 -0.26 0.00 0.84 0.00 0.00 57.88 57.10 2pkq h LEU 184 Cb 1.19 -0.27 -0.20 0.00 0.37 0.00 0.00 40.66 41.76 2pkq h LEU 184 CO 0.61 1.67 -0.73 -0.76 -0.34 0.00 0.00 178.44 178.89 2pkq s LEU 185 N -7.62 2.31 -0.85 2.25 1.43 -1.26 -3.93 118.68 111.01 2pkq s LEU 185 Ca -0.09 -0.65 -0.32 0.00 -1.03 0.00 0.00 54.13 52.04 2pkq s LEU 185 Cb 0.05 -0.15 -0.19 0.00 0.03 0.00 0.00 46.19 45.92 2pkq s LEU 185 CO 0.94 -0.26 2.57 0.47 0.23 0.00 0.00 176.35 180.31 2pkq n ASP 186 N 1.13 0.67 -4.04 2.29 9.92 -1.25 -4.60 116.55 120.67 2pkq n ASP 186 Ca -0.20 0.17 -0.10 0.00 -0.53 0.00 0.00 54.79 54.13 2pkq n ASP 186 Cb 0.56 -1.01 -0.08 0.00 -0.64 0.00 0.00 41.12 39.95 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 8.94 0.38 0.20 2.24 0.00 -0.76 -5.00 121.76 127.75 2pkq s ALA 187 Ca 1.28 -1.15 -0.32 0.00 0.00 0.00 0.00 51.96 51.78 2pkq s ALA 187 Cb -1.14 0.90 -0.15 0.00 0.00 0.00 0.00 23.12 22.73 2pkq s ALA 187 CO 0.48 -0.59 1.24 0.43 0.00 0.00 0.00 175.76 177.32 2pkq n SER 188 N -0.18 1.81 -3.64 0.00 7.64 -1.26 -4.60 113.62 113.40 2pkq n SER 188 Ca -0.06 1.14 -0.08 0.00 1.01 0.00 0.00 58.87 60.89 2pkq n SER 188 Cb 0.63 -1.29 -0.07 0.00 -1.01 0.00 0.00 64.21 62.47 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 -0.20 -0.66 0.40 1.43 5.04 -1.26 -4.76 115.29 115.28 2pkq s HIS 190 Ca 0.71 1.45 0.14 0.00 -1.54 0.00 0.00 55.06 55.82 2pkq s HIS 190 Cb -0.77 0.39 0.79 0.00 0.04 0.00 0.00 32.58 33.02 2pkq s HIS 190 CO 0.52 -0.32 1.37 0.07 -2.34 0.00 0.00 174.74 174.04 2pkq h ARG 191 N 5.38 0.00 -4.12 2.88 0.11 -1.95 -3.29 114.38 113.39 2pkq h ARG 191 Ca -0.29 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.16 2pkq h ARG 191 Cb 1.19 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.87 2pkq h ARG 191 CO 0.13 0.00 -0.72 0.34 0.10 0.00 0.00 179.97 179.82 2pkq s ASP 192 N -3.54 4.44 0.00 0.08 -1.08 -1.26 -4.99 116.67 110.32 2pkq s ASP 192 Ca -0.02 -2.16 0.00 0.00 -0.52 0.00 0.00 52.55 49.85 2pkq s ASP 192 Cb 0.04 -1.39 0.00 0.00 -1.46 0.00 0.00 42.92 40.11 2pkq s ASP 192 CO 0.13 -0.36 0.05 0.18 0.52 0.00 0.00 175.17 175.69 2pkq n LEU 193 N 4.22 0.00 -0.09 -1.34 4.32 -1.24 -0.12 117.00 122.75 2pkq n LEU 193 Ca 0.03 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.86 2pkq n LEU 193 Cb 0.40 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.13 2pkq n LEU 193 CO 0.21 0.00 -1.11 0.54 -1.22 0.00 0.00 177.39 175.81 2pkq n ARG 194 N -0.39 0.43 0.21 3.23 5.12 -1.26 -4.35 116.66 119.64 2pkq n ARG 194 Ca 0.00 0.13 0.15 0.00 -1.93 0.00 0.00 57.85 56.20 2pkq n ARG 194 Cb 0.00 -1.28 0.54 0.00 -1.16 0.00 0.00 32.46 30.57 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 -0.29 0.00 0.00 5.56 3.08 -0.85 -2.36 114.38 119.52 2pkq h ARG 195 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2pkq h ARG 195 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.58 2pkq h ARG 195 CO -0.16 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.74 2pkq n ALA 196 N -1.96 2.36 -2.90 0.04 0.00 -0.83 -0.84 120.51 116.37 2pkq n ALA 196 Ca 0.02 -0.14 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 2pkq n ALA 196 Cb 0.31 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.17 3.41 -0.86 0.00 1.81 -0.89 -1.83 118.95 118.43 2pkq s ARG 197 Ca 0.33 -0.38 -0.22 0.00 -1.72 0.00 0.00 55.73 53.74 2pkq s ARG 197 Cb 0.17 -3.06 -0.21 0.00 -0.45 0.00 0.00 34.95 31.39 2pkq s ARG 197 CO 0.31 0.65 2.19 0.00 -0.68 0.00 0.00 175.30 177.77 2pkq n ALA 198 N 0.70 0.43 -0.35 2.13 0.00 -1.26 -4.38 120.51 117.78 2pkq n ALA 198 Ca -0.09 -0.36 0.32 0.00 0.00 0.00 0.00 53.44 53.32 2pkq n ALA 198 Cb 0.52 -1.97 0.67 0.00 0.00 0.00 0.00 19.45 18.67 2pkq n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkq h ALA 199 N 10.05 2.84 -0.00 0.00 0.00 -1.20 -1.06 119.26 129.88 2pkq h ALA 199 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pkq h ALA 199 Cb 1.08 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2pkq h ALA 199 CO 1.24 -1.24 -0.24 0.00 0.00 0.00 0.00 179.25 179.01 2pkq n ALA 200 N -2.66 2.99 -1.86 0.00 0.00 -1.26 -4.21 120.51 113.51 2pkq n ALA 200 Ca 0.27 -0.29 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2pkq n ALA 200 Cb 1.18 -1.26 0.08 0.00 0.00 0.00 0.00 19.45 19.45 2pkq n ALA 200 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2pkq n LEU 201 N -1.18 1.31 -3.90 0.00 -0.00 -0.41 -4.62 117.00 108.19 2pkq n LEU 201 Ca 0.10 -2.30 -0.09 0.00 -0.00 0.00 0.00 56.01 53.72 2pkq n LEU 201 Cb 0.32 -0.20 -0.09 0.00 -0.00 0.00 0.00 43.42 43.46 2pkq n LEU 201 CO 0.28 0.64 -0.17 0.20 -0.00 0.00 0.00 177.39 178.35 2pkq s ASN 202 N -2.12 0.15 -0.27 1.45 0.01 -1.19 -5.02 114.94 107.95 2pkq s ASN 202 Ca 0.24 -0.55 -0.16 0.00 -0.71 0.00 0.00 52.86 51.68 2pkq s ASN 202 Cb 0.24 0.26 -0.03 0.00 0.41 0.00 0.00 41.25 42.13 2pkq s ASN 202 CO -0.05 -0.57 0.42 -0.63 -1.51 0.00 0.00 177.10 174.75 2pkq s ILE 203 N -2.96 5.14 -0.26 0.60 1.01 -1.24 -4.17 121.20 119.31 2pkq s ILE 203 Ca -0.02 0.63 0.01 0.00 0.00 0.00 0.00 60.65 61.28 2pkq s ILE 203 Cb 0.01 -3.75 0.05 0.00 0.01 0.00 0.00 42.46 38.78 2pkq s ILE 203 CO -0.06 0.11 -0.08 -0.69 0.00 0.00 0.00 174.94 174.22 2pkq s VAL 204 N 2.15 2.44 0.02 2.92 1.01 0.20 -4.84 120.40 124.31 2pkq s VAL 204 Ca 0.17 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.38 2pkq s VAL 204 Cb -0.16 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 2pkq s VAL 204 CO 0.10 0.01 1.23 -2.84 0.00 0.00 0.00 175.10 173.61 2pkq s PRO 205 N 1.18 4.38 -0.15 2.72 0.02 -1.26 0.10 135.00 141.99 2pkq s PRO 205 Ca -0.06 1.78 -0.10 0.00 0.02 0.00 0.00 61.00 62.63 2pkq s PRO 205 Cb -0.19 -3.44 0.05 0.00 0.02 0.00 0.00 34.50 30.94 2pkq s PRO 205 CO -0.04 -0.37 0.38 0.95 -0.33 0.00 0.00 177.00 177.58 2pkq s THR 206 N 1.62 -0.02 1.02 0.99 -4.23 -0.43 -4.85 115.64 109.74 2pkq s THR 206 Ca 0.59 0.06 -0.17 0.00 -1.18 0.00 0.00 61.69 60.99 2pkq s THR 206 Cb -0.28 -0.55 -0.01 0.00 1.34 0.00 0.00 72.50 73.00 2pkq s THR 206 CO 0.27 0.03 -0.21 -1.54 -0.54 0.00 0.00 174.62 172.62 2pkq n SER 207 N 3.72 -3.02 -3.64 3.99 3.41 -1.26 -2.92 113.62 113.90 2pkq n SER 207 Ca -0.20 0.11 -0.06 0.00 -0.26 0.00 0.00 58.87 58.47 2pkq n SER 207 Cb 0.56 -0.95 -0.07 0.00 -0.26 0.00 0.00 64.21 63.49 2pkq n SER 207 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2pkq s THR 208 N -2.22 0.00 -0.32 6.66 -1.32 -1.26 -4.76 115.64 112.42 2pkq s THR 208 Ca 0.51 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.21 2pkq s THR 208 Cb -0.13 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.01 2pkq s THR 208 CO 0.70 0.00 1.31 1.23 -2.21 0.00 0.00 174.62 175.65 2pkq h GLY 209 N 6.71 0.00 -1.27 6.08 0.00 -1.96 -3.36 103.07 109.27 2pkq h GLY 209 Ca -0.29 0.00 0.38 0.00 0.00 0.00 0.00 47.33 47.41 2pkq h GLY 209 CO 0.17 0.00 0.91 0.00 0.00 0.00 0.00 176.54 177.62 2pkq n ALA 210 N -2.16 1.23 0.18 3.60 0.00 -1.26 0.76 120.51 122.86 2pkq n ALA 210 Ca 0.02 0.46 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 2pkq n ALA 210 Cb 0.56 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 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 0.73 -0.54 0.30 0.00 0.00 -1.92 -3.28 119.26 114.55 2pkq h ALA 211 Ca 0.63 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 2pkq h ALA 211 Cb 2.45 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 20.44 2pkq h ALA 211 CO -0.05 -0.52 -0.23 0.87 0.00 0.00 0.00 179.25 179.31 2pkq h LYS 212 N -1.10 -0.51 0.00 0.00 1.57 0.06 -2.61 116.57 113.99 2pkq h LYS 212 Ca -0.05 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2pkq h LYS 212 Cb 0.47 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2pkq h LYS 212 CO 0.09 -0.34 0.63 0.00 -0.57 0.00 0.00 179.45 179.26 2pkq h ALA 213 N 0.12 1.53 -0.91 3.86 0.00 -1.44 0.24 119.26 122.67 2pkq h ALA 213 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.03 2pkq h ALA 213 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 2pkq h ALA 213 CO -0.01 -0.53 0.52 0.28 0.00 0.00 0.00 179.25 179.51 2pkq h VAL 214 N 0.00 0.79 -0.59 0.00 2.07 -1.52 -0.51 116.25 116.50 2pkq h VAL 214 Ca 0.00 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.37 2pkq h VAL 214 Cb 1.26 -0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.91 2pkq h VAL 214 CO 0.00 0.14 0.11 0.77 0.02 0.00 0.00 177.57 178.61 2pkq h SER 215 N 0.76 -0.03 -1.68 0.57 4.64 -1.08 0.68 113.55 117.40 2pkq h SER 215 Ca 0.48 0.11 0.49 0.00 -0.47 0.00 0.00 61.79 62.41 2pkq h SER 215 Cb 0.62 0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.81 2pkq h SER 215 CO -0.33 -0.01 1.36 0.18 -0.87 0.00 0.00 176.83 177.17 2pkq n LEU 216 N -5.15 0.00 -0.02 5.97 7.99 -0.20 0.41 117.00 126.01 2pkq n LEU 216 Ca 0.08 0.91 -0.00 0.00 -0.01 0.00 0.00 56.01 57.00 2pkq n LEU 216 Cb 0.32 -0.42 -0.06 0.00 -0.11 0.00 0.00 43.42 43.15 2pkq n LEU 216 CO 0.17 -0.91 -0.67 1.33 -1.51 0.00 0.00 177.39 175.79 2pkq n VAL 217 N -3.69 0.27 -3.70 4.08 0.24 -0.47 -4.77 118.33 110.29 2pkq n VAL 217 Ca 0.38 -0.24 -0.27 0.00 -2.04 0.00 0.00 64.34 62.16 2pkq n VAL 217 Cb 1.86 -0.30 -0.11 0.00 -1.47 0.00 0.00 33.84 33.83 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 -2.04 2.32 -0.25 1.34 4.32 0.17 -4.75 117.00 118.10 2pkq n LEU 218 Ca -0.07 -5.06 0.05 0.00 -0.02 0.00 0.00 56.01 50.91 2pkq n LEU 218 Cb 0.49 -0.42 0.15 0.00 -1.62 0.00 0.00 43.42 42.02 2pkq n LEU 218 CO 0.16 1.84 0.83 1.55 -1.22 0.00 0.00 177.39 180.55 2pkq h PRO 219 N 5.19 0.11 -1.72 3.23 0.13 -1.34 -1.85 132.00 135.75 2pkq h PRO 219 Ca 0.18 -0.01 0.50 0.00 -0.87 0.00 0.00 66.00 65.80 2pkq h PRO 219 Cb 0.77 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 31.81 2pkq h PRO 219 CO 0.66 0.07 1.23 -0.56 -0.23 0.00 0.00 178.00 179.17 2pkq h GLN 220 N 0.12 0.00 0.00 0.86 -0.00 -1.94 0.82 115.11 114.97 2pkq h GLN 220 Ca 0.40 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.05 2pkq h GLN 220 Cb 0.70 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.18 2pkq h GLN 220 CO -0.64 0.00 -0.62 1.28 -0.00 0.00 0.00 178.83 178.85 2pkq n LEU 221 N -4.03 0.60 -1.90 0.06 4.32 -0.69 -4.98 117.00 110.38 2pkq n LEU 221 Ca 0.38 0.11 -0.27 0.00 -0.02 0.00 0.00 56.01 56.22 2pkq n LEU 221 Cb 1.76 -0.20 -0.05 0.00 -1.62 0.00 0.00 43.42 43.31 2pkq n LEU 221 CO 0.43 0.03 0.63 1.17 -1.22 0.00 0.00 177.39 178.43 2pkq n LYS 222 N -1.85 0.00 -1.87 3.23 4.81 0.28 -0.14 118.16 122.62 2pkq n LYS 222 Ca 0.04 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.40 2pkq n LYS 222 Cb 0.40 -0.64 -0.01 0.00 0.02 0.00 0.00 35.03 34.80 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 2.57 0.33 0.02 3.14 0.00 -1.26 -4.92 105.19 105.06 2pkq n GLY 223 Ca 0.19 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.08 3.18 -2.05 1.61 5.02 0.80 -5.05 118.16 119.59 2pkq n LYS 224 Ca -0.09 -0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.04 2pkq n LYS 224 Cb 0.48 -1.09 0.08 0.00 -0.02 0.00 0.00 35.03 34.48 2pkq n LYS 224 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2pkq n LEU 225 N -2.09 0.00 0.00 -0.35 4.77 -1.26 -2.49 117.00 115.58 2pkq n LEU 225 Ca -0.05 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 2pkq n LEU 225 Cb 0.57 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2pkq n LEU 225 CO 0.07 -0.81 0.00 -3.20 -1.33 0.00 0.00 177.39 172.13 2pkq n ASN 226 N -2.86 0.00 0.00 -1.43 2.85 -1.23 -4.68 115.26 107.91 2pkq n ASN 226 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 2pkq n ASN 226 Cb 0.41 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.43 2pkq n ASN 226 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pkq n GLY 227 N -1.16 -1.95 0.00 8.20 0.00 -1.26 -1.39 105.19 107.63 2pkq n GLY 227 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 2.67 0.00 -3.68 -0.61 -0.00 -1.13 -4.28 119.36 112.32 2pkq n ILE 228 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 62.75 62.61 2pkq n ILE 228 Cb 0.00 -0.26 -0.08 0.00 -0.00 0.00 0.00 39.64 39.29 2pkq n ILE 228 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2pkq s ALA 229 N -2.00 -1.18 -0.16 -1.28 0.00 -1.15 -3.47 121.76 112.52 2pkq s ALA 229 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2pkq s ALA 229 Cb 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2pkq s ALA 229 CO 0.00 -0.28 -0.11 -0.51 0.00 0.00 0.00 175.76 174.87 2pkq s LEU 230 N -0.70 1.81 -0.14 0.00 1.43 0.09 -1.32 118.68 119.86 2pkq s LEU 230 Ca -0.08 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.14 2pkq s LEU 230 Cb -0.03 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 2pkq s LEU 230 CO 0.04 -0.11 0.82 -0.13 0.23 0.00 0.00 176.35 177.20 2pkq s ARG 231 N 1.51 4.34 0.00 1.70 1.81 0.12 0.26 118.95 128.69 2pkq s ARG 231 Ca 0.02 1.03 0.05 0.00 -1.72 0.00 0.00 55.73 55.11 2pkq s ARG 231 Cb -0.14 -3.54 -0.01 0.00 -0.45 0.00 0.00 34.95 30.80 2pkq s ARG 231 CO -0.09 -0.23 -0.14 0.14 -0.68 0.00 0.00 175.30 174.29 2pkq s VAL 232 N 1.81 1.13 0.00 3.52 -7.23 -0.67 0.62 120.40 119.59 2pkq s VAL 232 Ca 0.39 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.82 2pkq s VAL 232 Cb -0.17 -0.96 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 2pkq s VAL 232 CO 0.15 0.25 0.55 -2.65 -0.31 0.00 0.00 175.10 173.09 2pkq n PRO 233 N 2.54 0.00 -3.39 4.82 -0.02 -1.26 -3.48 135.00 134.21 2pkq n PRO 233 Ca -0.15 -0.18 -0.15 0.00 -2.02 0.00 0.00 63.50 61.00 2pkq n PRO 233 Cb 0.55 -1.29 -0.09 0.00 -0.02 0.00 0.00 33.50 32.65 2pkq n PRO 233 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2pkq s THR 234 N 3.15 -0.45 0.29 3.45 -1.32 -1.26 -5.01 115.64 114.49 2pkq s THR 234 Ca 0.10 -0.36 0.08 0.00 -1.21 0.00 0.00 61.69 60.30 2pkq s THR 234 Cb 0.02 -0.92 0.08 0.00 -1.51 0.00 0.00 72.50 70.17 2pkq s THR 234 CO 0.05 -0.36 1.10 1.55 -2.21 0.00 0.00 174.62 174.75 2pkq h PRO 235 N 8.25 0.00 -1.35 7.08 0.13 -1.86 -3.07 132.00 141.18 2pkq h PRO 235 Ca -0.14 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.20 2pkq h PRO 235 Cb 1.10 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.00 2pkq h PRO 235 CO 0.31 0.00 0.80 1.21 -0.23 0.00 0.00 178.00 180.09 2pkq s ASN 236 N -3.09 -0.15 0.00 1.44 2.47 -1.26 -4.79 114.94 109.55 2pkq s ASN 236 Ca -0.01 0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.38 2pkq s ASN 236 Cb 0.02 0.14 0.00 0.00 -1.45 0.00 0.00 41.25 39.96 2pkq s ASN 236 CO 0.07 -0.19 0.00 0.52 -3.72 0.00 0.00 177.10 173.78 2pkq n VAL 237 N 0.32 -1.59 -4.46 -5.21 0.31 -1.26 -4.85 118.33 101.58 2pkq n VAL 237 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.08 2pkq n VAL 237 Cb 0.58 -1.70 -0.09 0.00 -0.91 0.00 0.00 33.84 31.72 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 0.00 2.40 0.00 4.52 0.01 -0.30 -4.35 113.70 115.98 2pkq s SER 238 Ca 0.00 -1.57 0.02 0.00 1.31 0.00 0.00 55.95 55.71 2pkq s SER 238 Cb 0.00 0.33 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 2pkq s SER 238 CO 0.00 -0.84 -0.06 0.54 0.41 0.00 0.00 173.24 173.29 2pkq s VAL 239 N -3.32 0.45 -0.03 3.43 0.11 -0.64 -1.84 120.40 118.55 2pkq s VAL 239 Ca 0.29 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 2pkq s VAL 239 Cb 0.05 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 2pkq s VAL 239 CO 0.15 0.04 0.01 0.68 -3.33 0.00 0.00 175.10 172.65 2pkq s VAL 240 N -0.34 4.27 -0.66 2.04 -7.23 -0.63 -1.30 120.40 116.54 2pkq s VAL 240 Ca 0.00 -0.45 0.05 0.00 -1.81 0.00 0.00 61.98 59.77 2pkq s VAL 240 Cb -0.03 -2.87 0.16 0.00 0.56 0.00 0.00 36.38 34.20 2pkq s VAL 240 CO -0.00 0.46 0.44 -0.62 -0.31 0.00 0.00 175.10 175.07 2pkq s ASP 241 N -1.32 4.71 0.03 4.85 2.15 0.19 -1.86 116.67 125.42 2pkq s ASP 241 Ca 0.17 -3.66 -0.27 0.00 0.43 0.00 0.00 52.55 49.22 2pkq s ASP 241 Cb -0.11 -1.64 -0.05 0.00 -0.30 0.00 0.00 42.92 40.82 2pkq s ASP 241 CO 0.08 -0.12 0.85 -0.22 -0.17 0.00 0.00 175.17 175.59 2pkq s LEU 242 N -1.18 4.42 -0.51 -1.34 2.96 -0.76 -2.01 118.68 120.25 2pkq s LEU 242 Ca 0.23 1.54 0.05 0.00 -0.22 0.00 0.00 54.13 55.73 2pkq s LEU 242 Cb -0.10 -3.37 0.19 0.00 0.50 0.00 0.00 46.19 43.41 2pkq s LEU 242 CO -0.13 -0.09 0.44 0.52 -1.32 0.00 0.00 176.35 175.77 2pkq n VAL 243 N 3.21 -0.04 -3.92 1.68 0.31 0.21 -1.16 118.33 118.62 2pkq n VAL 243 Ca 0.01 -4.06 -0.36 0.00 -0.01 0.00 0.00 64.34 59.92 2pkq n VAL 243 Cb 0.50 -1.88 -0.12 0.00 -0.91 0.00 0.00 33.84 31.43 2pkq n VAL 243 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2pkq s VAL 244 N -0.74 4.38 -0.37 2.52 -7.23 -1.04 -2.34 120.40 115.58 2pkq s VAL 244 Ca 0.31 -0.16 -0.29 0.00 -1.81 0.00 0.00 61.98 60.04 2pkq s VAL 244 Cb 0.04 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.99 2pkq s VAL 244 CO -0.17 0.39 1.07 0.54 -0.31 0.00 0.00 175.10 176.63 2pkq s ASN 245 N 1.10 6.80 1.10 4.85 2.20 -0.97 -2.09 114.94 127.94 2pkq s ASN 245 Ca 0.04 0.80 -0.14 0.00 -0.94 0.00 0.00 52.86 52.62 2pkq s ASN 245 Cb -0.14 -2.53 0.18 0.00 -2.00 0.00 0.00 41.25 36.75 2pkq s ASN 245 CO 0.03 -0.99 0.62 0.00 -2.94 0.00 0.00 177.10 173.82 2pkq n ILE 246 N 6.18 0.00 -0.12 0.54 0.13 0.87 -3.44 119.36 123.53 2pkq n ILE 246 Ca 0.11 -0.31 -0.21 0.00 -1.10 0.00 0.00 62.75 61.25 2pkq n ILE 246 Cb 0.48 -0.82 -0.12 0.00 -0.84 0.00 0.00 39.64 38.34 2pkq n ILE 246 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 2pkq n GLU 247 N -3.50 0.65 -0.53 9.51 2.13 0.92 -4.63 120.64 125.18 2pkq n GLU 247 Ca 0.04 0.19 -0.30 0.00 0.66 0.00 0.00 57.16 57.75 2pkq n GLU 247 Cb 0.56 -1.53 0.24 0.00 0.27 0.00 0.00 31.44 30.97 2pkq n GLU 247 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2pkq n LYS 248 N -3.50 -2.31 0.00 5.31 4.81 -0.68 -4.92 118.16 116.87 2pkq n LYS 248 Ca -0.46 -0.65 0.00 0.00 -0.87 0.00 0.00 58.31 56.33 2pkq n LYS 248 Cb 0.97 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 34.02 2pkq n LYS 248 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2pkq n VAL 248 N -4.85 0.00 0.00 3.15 3.14 -1.26 -4.74 118.33 113.77 2pkq n VAL 248 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2pkq n VAL 248 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 2pkq n VAL 248 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2pkq n GLY 249 N -0.06 -0.59 3.37 7.55 0.00 -1.25 -4.66 105.19 109.55 2pkq n GLY 249 Ca 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 2pkq n GLY 249 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pkq n VAL 250 N 0.00 0.00 -2.76 1.61 0.24 -1.25 -4.76 118.33 111.41 2pkq n VAL 250 Ca 0.00 -0.36 -0.22 0.00 -2.04 0.00 0.00 64.34 61.72 2pkq n VAL 250 Cb 0.00 -0.78 0.08 0.00 -1.47 0.00 0.00 33.84 31.67 2pkq n VAL 250 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2pkq s THR 251 N -2.32 2.25 0.00 3.34 2.01 -1.26 -4.80 115.64 114.87 2pkq s THR 251 Ca 0.62 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.86 2pkq s THR 251 Cb -0.18 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.83 2pkq s THR 251 CO 0.66 0.00 0.05 0.00 -0.69 0.00 0.00 174.62 174.64 2pkq n ALA 252 N -2.53 0.00 0.09 7.40 0.00 -1.26 -3.07 120.51 121.14 2pkq n ALA 252 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2pkq n ALA 252 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2pkq n ALA 252 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pkq n GLU 253 N -0.05 0.01 0.02 0.00 -0.58 -1.26 0.12 120.64 118.90 2pkq n GLU 253 Ca 0.00 0.26 -0.20 0.00 -0.42 0.00 0.00 57.16 56.80 2pkq n GLU 253 Cb 0.00 -2.01 -0.14 0.00 -0.57 0.00 0.00 31.44 28.72 2pkq n GLU 253 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2pkq h ASP 254 N 0.00 0.43 -0.44 1.62 2.03 -1.98 -2.90 116.42 115.19 2pkq h ASP 254 Ca 0.00 -0.84 0.09 0.00 -0.73 0.00 0.00 57.03 55.55 2pkq h ASP 254 Cb 1.20 -0.14 -0.09 0.00 -0.83 0.00 0.00 39.33 39.47 2pkq h ASP 254 CO 0.00 1.74 -0.22 0.58 -1.03 0.00 0.00 179.24 180.31 2pkq h VAL 255 N 0.08 0.36 -0.19 4.15 2.07 0.93 -0.41 116.25 123.23 2pkq h VAL 255 Ca -0.38 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.17 2pkq h VAL 255 Cb 2.05 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 2pkq h VAL 255 CO 0.12 0.00 -0.41 0.78 0.02 0.00 0.00 177.57 178.07 2pkq h ASN 256 N -0.14 -1.34 -1.48 0.57 4.21 -1.63 -0.62 115.58 115.16 2pkq h ASN 256 Ca 0.21 0.17 0.50 0.00 1.21 0.00 0.00 56.30 58.38 2pkq h ASN 256 Cb 0.46 0.53 -0.13 0.00 -1.12 0.00 0.00 38.32 38.06 2pkq h ASN 256 CO -0.52 -0.33 0.97 0.59 -1.29 0.00 0.00 177.43 176.84 2pkq n ASN 257 N -4.70 0.18 0.06 5.81 3.02 -0.22 0.15 115.26 119.56 2pkq n ASN 257 Ca -0.04 1.34 -0.12 0.00 -0.03 0.00 0.00 54.58 55.73 2pkq n ASN 257 Cb 0.27 -0.66 -0.07 0.00 -0.61 0.00 0.00 39.78 38.71 2pkq n ASN 257 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pkq h ALA 258 N 1.51 -0.07 0.37 5.41 0.00 -0.49 0.49 119.26 126.48 2pkq h ALA 258 Ca 0.90 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.78 2pkq h ALA 258 Cb 3.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 20.83 2pkq h ALA 258 CO -0.40 -0.54 -0.24 0.74 0.00 0.00 0.00 179.25 178.80 2pkq h PHE 259 N -0.08 -0.66 -0.90 0.00 0.04 0.13 0.37 116.94 115.85 2pkq h PHE 259 Ca -0.00 -0.00 0.35 0.00 2.80 0.00 0.00 57.97 61.11 2pkq h PHE 259 Cb 0.07 0.24 -0.16 0.00 2.20 0.00 0.00 35.95 38.29 2pkq h PHE 259 CO -0.09 -0.36 0.37 0.54 -0.60 0.00 0.00 178.31 178.17 2pkq n ARG 260 N -3.83 -0.06 0.21 1.51 1.74 -0.30 0.27 116.66 116.21 2pkq n ARG 260 Ca -0.07 1.27 -0.11 0.00 -0.77 0.00 0.00 57.85 58.18 2pkq n ARG 260 Cb 0.24 -2.22 -0.06 0.00 -1.02 0.00 0.00 32.46 29.41 2pkq n ARG 260 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2pkq h LYS 261 N 0.00 -0.56 0.00 5.56 3.64 0.69 -2.77 116.57 123.13 2pkq h LYS 261 Ca 0.71 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.13 2pkq h LYS 261 Cb 1.80 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 2pkq h LYS 261 CO -0.73 -0.31 0.00 0.00 -2.27 0.00 0.00 179.45 176.14 2pkq n ALA 262 N -2.68 1.53 -0.06 5.00 0.00 0.12 -2.31 120.51 122.11 2pkq n ALA 262 Ca -0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 2pkq n ALA 262 Cb 0.26 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 2pkq n ALA 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkq h ALA 263 N 2.40 -0.01 -0.11 0.00 0.00 0.40 -0.14 119.26 121.79 2pkq h ALA 263 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2pkq h ALA 263 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2pkq h ALA 263 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.23 2pkq n ALA 264 N -2.63 2.55 -2.00 0.00 0.00 -1.05 -1.62 120.51 115.75 2pkq n ALA 264 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2pkq n ALA 264 Cb 0.37 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2pkq n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkq n GLY 265 N 0.99 0.37 0.16 0.00 0.00 -0.98 -4.73 105.19 101.01 2pkq n GLY 265 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 2pkq n GLY 265 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2pkq h PRO 266 N 0.00 0.00 -0.62 1.61 0.11 -1.81 -3.25 132.00 128.05 2pkq h PRO 266 Ca 0.00 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.85 2pkq h PRO 266 Cb 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 30.95 2pkq h PRO 266 CO 0.00 0.49 0.22 1.28 -0.21 0.00 0.00 178.00 179.78 2pkq n LEU 267 N -3.56 5.31 -4.56 2.35 4.77 -0.07 -4.94 117.00 116.30 2pkq n LEU 267 Ca -0.00 -3.50 -0.30 0.00 -0.03 0.00 0.00 56.01 52.17 2pkq n LEU 267 Cb 0.58 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 2pkq n LEU 267 CO 0.39 1.02 1.48 -0.75 -1.33 0.00 0.00 177.39 178.20 2pkq s LYS 268 N -3.15 2.42 0.00 3.23 2.20 -0.64 -0.75 119.74 123.05 2pkq s LYS 268 Ca 0.50 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 2pkq s LYS 268 Cb 0.43 -4.76 0.00 0.00 -1.51 0.00 0.00 37.83 31.99 2pkq s LYS 268 CO 0.07 -3.28 0.00 0.41 -0.36 0.00 0.00 175.35 172.19 2pkq n GLY 269 N 6.38 1.42 0.65 5.54 0.00 -1.26 -4.97 105.19 112.95 2pkq n GLY 269 Ca 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.31 2pkq n GLY 269 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pkq n VAL 270 N 0.00 1.30 -2.95 1.61 0.31 0.07 -4.27 118.33 114.39 2pkq n VAL 270 Ca 0.00 0.26 -0.19 0.00 -0.01 0.00 0.00 64.34 64.40 2pkq n VAL 270 Cb 0.00 -1.89 0.02 0.00 -0.91 0.00 0.00 33.84 31.06 2pkq n VAL 270 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2pkq s LEU 271 N -7.33 3.57 -0.29 7.52 2.96 -0.27 -0.92 118.68 123.94 2pkq s LEU 271 Ca -0.12 -0.18 -0.32 0.00 -0.22 0.00 0.00 54.13 53.29 2pkq s LEU 271 Cb 0.02 -2.79 0.18 0.00 0.50 0.00 0.00 46.19 44.10 2pkq s LEU 271 CO 0.18 -0.84 1.37 -0.62 -1.32 0.00 0.00 176.35 175.13 2pkq s ASP 272 N -4.34 -0.02 -0.11 3.68 2.15 -1.09 -4.71 116.67 112.23 2pkq s ASP 272 Ca 0.54 0.02 0.01 0.00 0.43 0.00 0.00 52.55 53.54 2pkq s ASP 272 Cb -0.10 0.02 0.02 0.00 -0.30 0.00 0.00 42.92 42.56 2pkq s ASP 272 CO 0.35 -0.03 -0.12 -0.69 -0.17 0.00 0.00 175.17 174.52 2pkq s VAL 273 N -1.30 1.27 -0.32 1.11 1.01 -1.26 -1.50 120.40 119.41 2pkq s VAL 273 Ca 0.10 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 2pkq s VAL 273 Cb -0.01 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.17 2pkq s VAL 273 CO -0.07 0.40 0.12 0.00 0.00 0.00 0.00 175.10 175.56 2pkq h ASP 275 N 8.30 0.00 -2.99 0.00 3.32 -1.97 -3.00 116.42 120.07 2pkq h ASP 275 Ca -0.30 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.19 2pkq h ASP 275 Cb 1.12 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 2pkq h ASP 275 CO 0.62 0.55 0.82 -0.63 -1.72 0.00 0.00 179.24 178.88 2pkq s ILE 276 N -2.93 4.35 -0.39 0.35 1.01 -1.26 -4.60 121.20 117.72 2pkq s ILE 276 Ca 0.02 1.65 -0.27 0.00 0.00 0.00 0.00 60.65 62.05 2pkq s ILE 276 Cb 0.08 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 2pkq s ILE 276 CO 0.76 -0.10 2.16 -2.16 0.00 0.00 0.00 174.94 175.60 2pkq s PRO 277 N 3.06 2.72 0.00 2.79 0.04 -1.26 -4.94 135.00 137.41 2pkq s PRO 277 Ca 0.53 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2pkq s PRO 277 Cb -0.21 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 29.91 2pkq s PRO 277 CO 0.15 -2.58 0.00 1.28 0.04 0.00 0.00 177.00 175.90 2pkq n LEU 278 N 13.12 0.00 -4.06 -3.56 4.77 -1.26 -5.17 117.00 120.84 2pkq n LEU 278 Ca 0.30 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 2pkq n LEU 278 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 2pkq n LEU 278 CO 0.69 0.00 -0.30 0.68 -1.33 0.00 0.00 177.39 177.13 2pkq s VAL 279 N -0.06 0.19 0.02 4.08 -7.23 -1.26 -5.06 120.40 111.09 2pkq s VAL 279 Ca 0.00 -1.71 -0.05 0.00 -1.81 0.00 0.00 61.98 58.41 2pkq s VAL 279 Cb 0.00 -1.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.37 2pkq s VAL 279 CO 0.00 -0.87 0.43 -1.54 -0.31 0.00 0.00 175.10 172.81 2pkq n SER 280 N 0.05 -0.16 0.29 4.85 3.41 -1.26 0.40 113.62 121.19 2pkq n SER 280 Ca -0.13 0.47 0.05 0.00 -0.26 0.00 0.00 58.87 59.00 2pkq n SER 280 Cb 0.62 -0.13 0.25 0.00 -0.26 0.00 0.00 64.21 64.68 2pkq n SER 280 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2pkq h VAL 281 N 0.00 0.00 -0.00 -3.33 2.07 -1.94 0.57 116.25 113.61 2pkq h VAL 281 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2pkq h VAL 281 Cb 0.06 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2pkq h VAL 281 CO -0.15 0.00 -0.05 0.47 0.02 0.00 0.00 177.57 177.87 2pkq n ASP 282 N -2.43 0.42 -0.71 0.57 8.00 0.16 -3.43 116.55 119.13 2pkq n ASP 282 Ca -0.01 -0.78 0.07 0.00 0.71 0.00 0.00 54.79 54.78 2pkq n ASP 282 Cb 0.73 -0.07 0.13 0.00 -0.02 0.00 0.00 41.12 41.89 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 -0.85 0.33 -1.60 1.24 3.72 0.20 -4.99 117.46 115.51 2pkq n PHE 283 Ca 0.18 -0.28 -0.38 0.00 -0.05 0.00 0.00 57.45 56.92 2pkq n PHE 283 Cb 0.23 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.80 2pkq n PHE 283 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2pkq n ARG 284 N 0.80 0.96 -4.00 -1.08 5.12 -1.22 -2.34 116.66 114.89 2pkq n ARG 284 Ca 0.12 0.36 -0.27 0.00 -1.93 0.00 0.00 57.85 56.14 2pkq n ARG 284 Cb 0.42 -2.09 -0.03 0.00 -1.16 0.00 0.00 32.46 29.60 2pkq n ARG 284 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2pkq s SER 286 N -4.26 6.08 0.08 0.00 0.15 -0.99 -4.97 113.70 109.80 2pkq s SER 286 Ca 0.08 -0.27 0.16 0.00 0.70 0.00 0.00 55.95 56.61 2pkq s SER 286 Cb -0.04 -2.15 0.68 0.00 -1.71 0.00 0.00 66.02 62.80 2pkq s SER 286 CO 0.90 -0.22 1.49 0.47 1.20 0.00 0.00 173.24 177.09 2pkq n ASP 287 N 5.16 0.19 -4.72 5.45 9.92 -1.26 -3.92 116.55 127.36 2pkq n ASP 287 Ca -0.12 0.55 -0.40 0.00 -0.53 0.00 0.00 54.79 54.28 2pkq n ASP 287 Cb 0.50 -0.59 -0.04 0.00 -0.64 0.00 0.00 41.12 40.35 2pkq n ASP 287 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2pkq s PHE 288 N -3.10 3.66 -0.71 1.24 0.40 -1.26 -4.79 117.98 113.42 2pkq s PHE 288 Ca 0.05 1.48 0.15 0.00 -0.60 0.00 0.00 56.93 58.02 2pkq s PHE 288 Cb 0.09 -2.92 0.70 0.00 0.51 0.00 0.00 43.02 41.40 2pkq s PHE 288 CO 0.27 0.12 1.48 0.43 0.70 0.00 0.00 175.22 178.22 2pkq n SER 289 N 3.47 0.29 -3.64 1.36 7.64 -0.09 -4.69 113.62 117.96 2pkq n SER 289 Ca 0.01 0.59 -0.06 0.00 1.01 0.00 0.00 58.87 60.42 2pkq n SER 289 Cb 0.51 -0.65 -0.07 0.00 -1.01 0.00 0.00 64.21 62.99 2pkq n SER 289 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2pkq s SER 290 N -3.55 -0.40 -0.07 6.43 0.15 -0.86 -3.96 113.70 111.44 2pkq s SER 290 Ca 0.03 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2pkq s SER 290 Cb 0.07 0.86 0.02 0.00 -1.71 0.00 0.00 66.02 65.27 2pkq s SER 290 CO 0.24 -0.12 -0.05 -0.89 1.20 0.00 0.00 173.24 173.61 2pkq s THR 291 N 0.50 0.68 -0.07 6.45 2.01 0.13 -2.67 115.64 122.67 2pkq s THR 291 Ca 0.00 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.71 2pkq s THR 291 Cb -0.05 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 2pkq s THR 291 CO -0.10 0.28 0.38 -0.63 -0.69 0.00 0.00 174.62 173.86 2pkq s ILE 292 N 1.30 5.16 -0.78 1.82 1.09 -0.56 0.29 121.20 129.52 2pkq s ILE 292 Ca -0.04 0.75 -0.23 0.00 -1.10 0.00 0.00 60.65 60.03 2pkq s ILE 292 Cb -0.14 -3.69 0.07 0.00 -1.06 0.00 0.00 42.46 37.64 2pkq s ILE 292 CO -0.02 0.49 1.15 -0.62 -0.10 0.00 0.00 174.94 175.84 2pkq s ASP 293 N -0.37 6.30 0.03 3.58 -1.08 -0.61 -2.31 116.67 122.20 2pkq s ASP 293 Ca 0.22 -1.09 -0.05 0.00 -0.52 0.00 0.00 52.55 51.11 2pkq s ASP 293 Cb -0.15 -2.48 -0.01 0.00 -1.46 0.00 0.00 42.92 38.82 2pkq s ASP 293 CO 0.10 -1.50 1.05 -1.20 0.52 0.00 0.00 175.17 174.14 2pkq n SER 294 N 8.16 -0.18 0.00 -0.34 7.64 -1.13 -0.15 113.62 127.62 2pkq n SER 294 Ca 0.08 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2pkq n SER 294 Cb 0.48 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2pkq n SER 294 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2pkq n SER 295 N -3.35 0.00 -0.04 6.43 3.41 -1.26 -1.46 113.62 117.35 2pkq n SER 295 Ca 0.00 0.33 -0.04 0.00 -0.26 0.00 0.00 58.87 58.90 2pkq n SER 295 Cb 0.04 -0.33 -0.14 0.00 -0.26 0.00 0.00 64.21 63.53 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 -1.33 0.37 -4.71 1.04 4.77 0.79 -4.95 117.00 112.99 2pkq n LEU 296 Ca 0.00 0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 55.76 2pkq n LEU 296 Cb 0.17 0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2pkq n LEU 296 CO 0.00 0.30 0.87 0.41 -1.33 0.00 0.00 177.39 177.64 2pkq n THR 297 N -2.75 3.81 -3.44 -5.08 -1.04 -0.53 -4.85 114.28 100.40 2pkq n THR 297 Ca -0.19 -0.50 0.01 0.00 -2.04 0.00 0.00 64.05 61.33 2pkq n THR 297 Cb 0.96 -1.52 -0.05 0.00 -1.82 0.00 0.00 70.33 67.90 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 -2.84 0.28 0.07 -2.82 0.23 -0.77 -4.93 119.30 108.53 2pkq s MET 298 Ca 0.73 0.65 -0.21 0.00 -1.03 0.00 0.00 55.69 55.83 2pkq s MET 298 Cb -0.43 0.34 -0.07 0.00 -1.53 0.00 0.00 34.83 33.15 2pkq s MET 298 CO 0.49 -0.09 0.63 0.08 -2.03 0.00 0.00 175.02 174.10 2pkq s VAL 299 N 2.19 4.70 0.00 5.16 1.01 -1.26 -2.53 120.40 129.68 2pkq s VAL 299 Ca -0.04 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.30 2pkq s VAL 299 Cb -0.05 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2pkq s VAL 299 CO -0.17 0.50 0.00 0.80 0.00 0.00 0.00 175.10 176.23 2pkq n MET 300 N 2.03 0.00 -1.51 2.72 1.56 0.10 -4.77 117.12 117.25 2pkq n MET 300 Ca -0.08 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.04 2pkq n MET 300 Cb 0.50 -0.04 0.01 0.00 2.15 0.00 0.00 33.22 35.85 2pkq n MET 300 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2pkq n GLY 301 N 2.61 4.95 4.76 -5.12 0.00 -1.26 -4.87 105.19 106.26 2pkq n GLY 301 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2pkq n GLY 301 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pkq n GLY 302 N 0.04 0.75 0.11 -0.02 0.00 -1.26 -4.29 105.19 100.52 2pkq n GLY 302 Ca 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.37 2pkq n GLY 302 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pkq n ASP 303 N 1.49 1.42 -4.59 1.61 5.75 -1.26 -3.74 116.55 117.22 2pkq n ASP 303 Ca 0.00 0.21 -0.43 0.00 -0.01 0.00 0.00 54.79 54.56 2pkq n ASP 303 Cb 0.00 -0.31 -0.03 0.00 -1.03 0.00 0.00 41.12 39.75 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 -2.56 3.74 0.05 0.11 1.75 -1.26 0.30 119.30 121.42 2pkq s MET 304 Ca -0.16 0.47 0.01 0.00 -1.25 0.00 0.00 55.69 54.76 2pkq s MET 304 Cb 0.07 -3.85 -0.04 0.00 2.84 0.00 0.00 34.83 33.85 2pkq s MET 304 CO 0.77 -1.09 0.11 0.08 -0.65 0.00 0.00 175.02 174.24 2pkq s VAL 305 N 3.71 4.79 -0.05 10.11 1.01 -0.89 0.02 120.40 139.10 2pkq s VAL 305 Ca 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2pkq s VAL 305 Cb -0.11 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.02 2pkq s VAL 305 CO 0.23 0.20 -0.02 -0.75 0.00 0.00 0.00 175.10 174.76 2pkq s LYS 306 N -2.20 0.60 0.21 2.72 2.20 -1.05 -2.48 119.74 119.75 2pkq s LYS 306 Ca 0.28 0.01 0.07 0.00 -0.36 0.00 0.00 55.97 55.97 2pkq s LYS 306 Cb -0.12 -0.75 -0.05 0.00 -1.51 0.00 0.00 37.83 35.40 2pkq s LYS 306 CO 0.21 -0.15 -0.13 0.08 -0.36 0.00 0.00 175.35 175.00 2pkq s VAL 307 N 1.20 1.67 -0.03 4.02 1.01 -0.31 -1.85 120.40 126.10 2pkq s VAL 307 Ca -0.07 -2.19 -0.01 0.00 0.00 0.00 0.00 61.98 59.71 2pkq s VAL 307 Cb -0.14 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.18 2pkq s VAL 307 CO -0.02 -0.56 0.05 -0.69 0.00 0.00 0.00 175.10 173.89 2pkq s VAL 308 N -3.01 -0.09 0.14 2.92 1.01 -1.26 -1.83 120.40 118.28 2pkq s VAL 308 Ca 0.23 0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.60 2pkq s VAL 308 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 2pkq s VAL 308 CO 0.07 0.12 -0.23 0.00 0.00 0.00 0.00 175.10 175.07 2pkq s ALA 309 N 1.51 2.15 -0.11 5.51 0.00 -0.77 -1.58 121.76 128.46 2pkq s ALA 309 Ca -0.04 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 2pkq s ALA 309 Cb -0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 2pkq s ALA 309 CO -0.03 0.41 -0.08 -1.58 0.00 0.00 0.00 175.76 174.47 2pkq s TRP 310 N -1.39 2.92 -0.17 0.00 0.52 0.84 -1.61 118.94 120.06 2pkq s TRP 310 Ca 0.13 -0.28 -0.11 0.00 0.02 0.00 0.00 56.10 55.87 2pkq s TRP 310 Cb -0.09 -1.83 0.06 0.00 -1.15 0.00 0.00 33.47 30.46 2pkq s TRP 310 CO 0.06 0.05 0.42 1.52 0.02 0.00 0.00 176.95 179.02 2pkq s TYR 311 N -0.08 -0.59 -0.44 -1.98 1.13 -0.77 -0.69 117.35 113.94 2pkq s TYR 311 Ca 0.00 1.28 -0.29 0.00 -1.41 0.00 0.00 57.07 56.65 2pkq s TYR 311 Cb -0.13 0.25 0.03 0.00 -1.10 0.00 0.00 41.96 41.01 2pkq s TYR 311 CO 0.03 -0.32 1.11 0.34 -2.51 0.00 0.00 175.55 174.19 2pkq s ASP 312 N 1.15 6.69 0.43 -0.18 -1.08 -1.26 -1.15 116.67 121.26 2pkq s ASP 312 Ca -0.08 0.57 0.13 0.00 -0.52 0.00 0.00 52.55 52.66 2pkq s ASP 312 Cb -0.07 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.78 2pkq s ASP 312 CO -0.10 -1.15 1.96 -0.55 0.52 0.00 0.00 175.17 175.85 2pkq h ASN 313 N 8.96 0.05 0.00 -0.34 -1.07 -1.92 -2.11 115.58 119.15 2pkq h ASN 313 Ca -0.23 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.14 2pkq h ASN 313 Cb 1.06 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 37.30 2pkq h ASN 313 CO 1.10 0.24 0.00 -0.62 0.07 0.00 0.00 177.43 178.22 2pkq n GLU 314 N -4.29 0.00 0.23 4.14 1.02 -1.26 -4.05 120.64 116.42 2pkq n GLU 314 Ca -0.02 0.42 -0.13 0.00 -0.02 0.00 0.00 57.16 57.41 2pkq n GLU 314 Cb 0.26 -0.92 -0.07 0.00 -0.02 0.00 0.00 31.44 30.69 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 0.00 -1.01 -0.43 -0.32 2.91 -1.94 -2.12 115.95 113.04 2pkq h TRP 315 Ca 0.00 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.07 2pkq h TRP 315 Cb 0.00 0.39 -0.06 0.00 -0.51 0.00 0.00 29.16 28.98 2pkq h TRP 315 CO 0.00 -0.49 -0.29 0.78 -1.03 0.00 0.00 178.44 177.41 2pkq h GLY 316 N -0.75 -1.72 -0.07 2.65 0.00 -1.49 0.37 103.07 102.05 2pkq h GLY 316 Ca -0.05 0.94 0.08 0.00 0.00 0.00 0.00 47.33 48.30 2pkq h GLY 316 CO -0.03 -0.48 -0.27 -1.82 0.00 0.00 0.00 176.54 173.93 2pkq h TYR 317 N -0.05 -0.73 -0.90 5.60 3.20 -1.64 0.19 116.97 122.64 2pkq h TYR 317 Ca 0.07 0.05 0.16 0.00 3.14 0.00 0.00 58.73 62.15 2pkq h TYR 317 Cb 0.23 0.38 -0.07 0.00 1.54 0.00 0.00 36.73 38.80 2pkq h TYR 317 CO -0.91 -0.34 0.58 0.77 -1.64 0.00 0.00 178.16 176.62 2pkq h SER 318 N -0.21 0.60 -0.39 -2.11 0.02 -0.54 0.39 113.55 111.31 2pkq h SER 318 Ca 0.18 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 2pkq h SER 318 Cb 0.50 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2pkq h SER 318 CO -0.50 0.28 -0.22 1.56 -1.14 0.00 0.00 176.83 176.81 2pkq h GLN 319 N 0.62 0.89 -0.22 3.45 1.08 0.27 -2.15 115.11 119.05 2pkq h GLN 319 Ca 0.47 -0.37 -0.05 0.00 -1.45 0.00 0.00 58.65 57.25 2pkq h GLN 319 Cb 0.86 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 2pkq h GLN 319 CO -0.22 1.02 -0.05 0.00 -0.95 0.00 0.00 178.83 178.64 2pkq h ARG 320 N 0.77 0.41 -0.38 1.46 2.47 0.48 -2.13 114.38 117.47 2pkq h ARG 320 Ca 0.10 -0.16 0.11 0.00 -1.26 0.00 0.00 59.98 58.77 2pkq h ARG 320 Cb 0.77 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.05 2pkq h ARG 320 CO 0.06 0.65 0.44 0.28 0.56 0.00 0.00 179.97 181.96 2pkq h VAL 321 N 0.14 0.34 0.00 2.04 2.07 -0.16 1.01 116.25 121.70 2pkq h VAL 321 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2pkq h VAL 321 Cb 0.50 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2pkq h VAL 321 CO 0.02 0.00 -0.86 0.58 0.02 0.00 0.00 177.57 177.33 2pkq h VAL 322 N 0.00 0.12 0.18 2.57 2.07 -0.77 -2.79 116.25 117.62 2pkq h VAL 322 Ca 0.18 -1.21 -0.26 0.00 0.82 0.00 0.00 66.70 66.24 2pkq h VAL 322 Cb 1.05 1.71 0.03 0.00 -1.52 0.00 0.00 31.29 32.56 2pkq h VAL 322 CO -0.00 0.07 -1.11 0.44 0.02 0.00 0.00 177.57 176.98 2pkq h ASP 323 N 0.00 0.66 0.66 0.57 5.19 0.14 -1.02 116.42 122.62 2pkq h ASP 323 Ca -0.02 -0.92 -0.03 0.00 -0.62 0.00 0.00 57.03 55.44 2pkq h ASP 323 Cb 1.11 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.40 2pkq h ASP 323 CO 0.01 1.54 -0.13 0.25 -3.12 0.00 0.00 179.24 177.79 2pkq h LEU 324 N -0.10 0.00 0.00 1.55 5.85 -0.19 0.27 115.31 122.70 2pkq h LEU 324 Ca -0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2pkq h LEU 324 Cb 1.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.90 2pkq h LEU 324 CO 0.21 0.13 -1.14 0.00 -0.34 0.00 0.00 178.44 177.30 2pkq n ALA 325 N -2.21 2.67 0.08 1.25 0.00 -1.05 -3.26 120.51 117.99 2pkq n ALA 325 Ca -0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 2pkq n ALA 325 Cb 0.31 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2pkq n ALA 325 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2pkq h ASP 326 N 0.00 0.28 0.28 0.00 5.19 0.32 -3.24 116.42 119.26 2pkq h ASP 326 Ca 0.00 -0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 2pkq h ASP 326 Cb 0.96 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.39 2pkq h ASP 326 CO 0.00 1.00 -0.13 0.25 -3.12 0.00 0.00 179.24 177.24 2pkq h LEU 327 N 0.13 -0.32 -0.56 1.55 5.85 -0.59 -2.43 115.31 118.94 2pkq h LEU 327 Ca -0.04 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.85 2pkq h LEU 327 Cb 1.47 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.47 2pkq h LEU 327 CO 0.13 -0.20 0.04 0.52 -0.34 0.00 0.00 178.44 178.59 2pkq n VAL 328 N -3.17 -0.24 0.08 1.05 0.31 -1.20 0.21 118.33 115.36 2pkq n VAL 328 Ca -0.05 1.23 -0.06 0.00 -0.01 0.00 0.00 64.34 65.44 2pkq n VAL 328 Cb 0.15 -1.81 0.08 0.00 -0.91 0.00 0.00 33.84 31.35 2pkq n VAL 328 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pkq h ALA 329 N 1.12 0.75 0.00 3.52 0.00 -1.56 -3.02 119.26 120.08 2pkq h ALA 329 Ca 0.36 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2pkq h ALA 329 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2pkq h ALA 329 CO -0.52 0.77 0.00 0.09 0.00 0.00 0.00 179.25 179.59 2pkq n ASN 330 N -3.83 0.79 -2.11 0.00 5.03 0.55 -3.09 115.26 112.61 2pkq n ASN 330 Ca -0.03 0.61 -0.26 0.00 0.87 0.00 0.00 54.58 55.77 2pkq n ASN 330 Cb 0.66 -0.81 0.03 0.00 -1.02 0.00 0.00 39.78 38.64 2pkq n ASN 330 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2pkq n LYS 331 N -2.28 3.48 -5.01 3.52 4.76 -0.66 -5.02 118.16 116.95 2pkq n LYS 331 Ca 0.04 -4.08 -0.32 0.00 -2.87 0.00 0.00 58.31 51.08 2pkq n LYS 331 Cb 0.37 -2.28 -0.14 0.00 -1.84 0.00 0.00 35.03 31.14 2pkq n LYS 331 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 2pkq s TRP 332 N -3.63 2.61 0.10 2.13 -0.11 -1.17 -4.04 118.94 114.83 2pkq s TRP 332 Ca 0.52 -0.40 -0.26 0.00 1.22 0.00 0.00 56.10 57.19 2pkq s TRP 332 Cb 0.42 -1.64 -0.15 0.00 -1.50 0.00 0.00 33.47 30.61 2pkq s TRP 332 CO 0.01 0.00 0.58 -2.30 -4.62 0.00 0.00 176.95 170.63 2pkq n PRO 333 N 2.66 0.00 0.00 5.86 -0.02 -1.26 -4.17 135.00 138.07 2pkq n PRO 333 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2pkq n PRO 333 Cb 0.52 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 2pkq n PRO 333 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pkq n GLY 334 N 1.46 -0.77 0.00 -1.23 0.00 -1.26 -5.04 105.19 98.35 2pkq n GLY 334 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2pkq n GLY 334 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pkq n LEU 335 N 0.00 0.00 0.35 0.99 7.94 -1.26 -5.24 117.00 119.78 2pkq n LEU 335 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 2pkq n LEU 335 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 2pkq n LEU 335 CO 0.00 0.00 0.49 -0.33 -1.11 0.00 0.00 177.39 176.44 2pkq h GLU 336 N 0.00 -0.85 -2.40 1.96 3.07 -1.96 -3.54 114.58 110.86 2pkq h GLU 336 Ca 0.00 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2pkq h GLU 336 Cb 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2pkq h GLU 336 CO 0.00 -0.57 0.00 0.00 -1.40 0.00 0.00 179.01 177.04 2pkq s LYS 359 N -2.09 3.23 0.00 0.00 -2.85 -1.26 -4.99 119.74 111.78 2pkq s LYS 359 Ca 0.00 -1.31 0.00 0.00 -1.00 0.00 0.00 55.97 53.66 2pkq s LYS 359 Cb 0.00 -4.42 0.00 0.00 -2.06 0.00 0.00 37.83 31.35 2pkq s LYS 359 CO 0.00 -1.69 0.00 1.28 0.10 0.00 0.00 175.35 175.04 2pkq n LEU 360 N 6.77 0.00 0.00 2.77 4.77 -1.26 -4.95 117.00 125.10 2pkq n LEU 360 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2pkq n LEU 360 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2pkq n LEU 360 CO 0.57 0.00 0.00 -1.22 -1.33 0.00 0.00 177.39 175.41 2pkq n TYR 361 N 0.00 0.00 1.52 -1.77 0.53 -1.26 -5.02 117.16 111.17 2pkq n TYR 361 Ca 0.00 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 57.00 2pkq n TYR 361 Cb 0.00 0.00 0.72 0.00 -1.03 0.00 0.00 39.34 39.03 2pkq n TYR 361 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23