#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 4.07 -0.03 -5.58 2.96 -0.52 -5.02 118.68 114.56 2pkq s LEU 1 Ca 0.00 0.28 -0.30 0.00 -0.22 0.00 0.00 54.13 53.89 2pkq s LEU 1 Cb 0.00 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 2pkq s LEU 1 CO 0.00 -0.21 1.12 -0.54 -1.32 0.00 0.00 176.35 175.40 2pkq s LYS 2 N 2.10 4.42 -0.00 1.98 1.02 -1.26 -1.05 119.74 126.94 2pkq s LYS 2 Ca 0.16 1.59 0.08 0.00 0.02 0.00 0.00 55.97 57.82 2pkq s LYS 2 Cb -0.16 -3.49 -0.02 0.00 -0.52 0.00 0.00 37.83 33.63 2pkq s LYS 2 CO 0.10 -0.31 -0.25 0.08 -0.92 0.00 0.00 175.35 174.05 2pkq s VAL 3 N 1.73 2.19 0.14 3.17 1.01 0.24 -1.08 120.40 127.81 2pkq s VAL 3 Ca 0.54 -1.16 0.09 0.00 0.00 0.00 0.00 61.98 61.46 2pkq s VAL 3 Cb -0.24 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2pkq s VAL 3 CO 0.24 0.51 -0.16 0.00 0.00 0.00 0.00 175.10 175.69 2pkq s ALA 4 N -0.69 2.76 -0.28 5.51 0.00 0.52 -1.10 121.76 128.48 2pkq s ALA 4 Ca 0.11 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.66 2pkq s ALA 4 Cb -0.10 -0.65 0.08 0.00 0.00 0.00 0.00 23.12 22.45 2pkq s ALA 4 CO 0.00 0.54 0.01 0.42 0.00 0.00 0.00 175.76 176.73 2pkq s ILE 5 N -1.37 1.55 -0.53 0.00 1.01 -0.61 -1.26 121.20 119.99 2pkq s ILE 5 Ca 0.20 -1.54 -0.19 0.00 0.00 0.00 0.00 60.65 59.13 2pkq s ILE 5 Cb -0.10 -1.98 0.07 0.00 0.01 0.00 0.00 42.46 40.46 2pkq s ILE 5 CO 0.12 -0.37 0.62 0.21 0.00 0.00 0.00 174.94 175.52 2pkq s ASN 6 N 1.33 6.20 0.00 3.58 2.47 -0.83 -1.52 114.94 126.18 2pkq s ASN 6 Ca 0.02 -1.10 0.00 0.00 0.42 0.00 0.00 52.86 52.20 2pkq s ASN 6 Cb -0.18 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.33 2pkq s ASN 6 CO -0.11 -0.92 0.00 0.61 -3.72 0.00 0.00 177.10 172.95 2pkq n GLY 7 N 5.20 1.27 2.80 1.21 0.00 -1.20 -0.70 105.19 113.76 2pkq n GLY 7 Ca -0.08 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 2.74 -4.05 1.61 7.35 -1.26 -4.03 117.46 119.82 2pkq n PHE 8 Ca 0.00 -2.75 -0.13 0.00 -0.76 0.00 0.00 57.45 53.81 2pkq n PHE 8 Cb 0.00 -1.79 -0.12 0.00 0.35 0.00 0.00 39.48 37.92 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 0.26 0.43 0.00 7.13 0.00 -1.26 -4.71 107.32 109.17 2pkq s GLY 9 Ca 0.41 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.46 2pkq s GLY 9 CO -0.00 -0.72 0.00 0.54 0.00 0.00 0.00 173.10 172.92 2pkq n ARG 10 N 1.65 0.00 -0.31 2.90 5.12 -1.26 0.20 116.66 124.95 2pkq n ARG 10 Ca -0.22 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.75 2pkq n ARG 10 Cb 0.55 0.00 0.24 0.00 -1.16 0.00 0.00 32.46 32.09 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 1.04 -0.15 0.55 6.09 -1.91 2.02 117.51 125.15 2pkq h ILE 11 Ca 0.00 -0.35 -0.23 0.00 -1.37 0.00 0.00 64.86 62.92 2pkq h ILE 11 Cb 0.00 -0.07 0.01 0.00 0.47 0.00 0.00 36.82 37.23 2pkq h ILE 11 CO 0.00 0.19 -0.79 1.23 -3.07 0.00 0.00 178.15 175.71 2pkq h GLY 12 N 1.02 0.87 1.14 8.18 0.00 0.21 -0.43 103.07 114.07 2pkq h GLY 12 Ca 0.41 -1.25 -0.22 0.00 0.00 0.00 0.00 47.33 46.26 2pkq h GLY 12 CO -0.16 1.11 -0.79 3.21 0.00 0.00 0.00 176.54 179.91 2pkq h ARG 13 N 0.53 0.75 -0.33 4.80 3.08 -1.37 -1.98 114.38 119.86 2pkq h ARG 13 Ca -0.06 -0.65 0.01 0.00 0.07 0.00 0.00 59.98 59.36 2pkq h ARG 13 Cb 1.42 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.60 2pkq h ARG 13 CO 0.16 1.25 0.22 -0.91 -1.07 0.00 0.00 179.97 179.62 2pkq h ASN 14 N 0.47 0.35 0.00 7.04 2.35 0.32 -1.20 115.58 124.91 2pkq h ASN 14 Ca -0.06 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2pkq h ASN 14 Cb 1.43 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.71 2pkq h ASN 14 CO 0.16 0.25 0.00 0.33 -1.65 0.00 0.00 177.43 176.52 2pkq n PHE 15 N -4.49 0.00 -0.28 1.19 7.35 -0.17 -1.34 117.46 119.72 2pkq n PHE 15 Ca 0.02 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.87 2pkq n PHE 15 Cb 0.09 -0.28 0.31 0.00 0.35 0.00 0.00 39.48 39.95 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 -1.34 0.01 0.30 -2.13 0.00 -0.78 0.12 117.00 113.18 2pkq n LEU 16 Ca 0.00 1.39 -0.16 0.00 0.00 0.00 0.00 56.01 57.23 2pkq n LEU 16 Cb 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 43.42 42.78 2pkq n LEU 16 CO 0.00 -1.45 0.64 0.03 0.00 0.00 0.00 177.39 176.62 2pkq h ARG 17 N 0.00 -0.70 -0.68 1.96 2.47 -1.19 -0.53 114.38 115.70 2pkq h ARG 17 Ca 0.55 0.05 0.14 0.00 -1.26 0.00 0.00 59.98 59.46 2pkq h ARG 17 Cb 1.26 0.16 -0.13 0.00 -1.65 0.00 0.00 29.97 29.61 2pkq h ARG 17 CO -0.73 -0.44 -0.15 0.00 0.56 0.00 0.00 179.97 179.21 2pkq h TRP 18 N 0.01 0.42 0.00 0.00 7.01 -0.91 -3.36 115.95 119.12 2pkq h TRP 18 Ca 0.33 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.32 2pkq h TRP 18 Cb 0.51 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 2pkq h TRP 18 CO -0.53 0.35 0.00 1.58 -2.79 0.00 0.00 178.44 177.04 2pkq n HIS 18 N -4.81 0.00 -1.79 2.65 -0.00 -0.22 -3.16 115.22 107.89 2pkq n HIS 18 Ca -0.02 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.90 2pkq n HIS 18 Cb 0.08 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.87 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 -0.75 0.76 3.17 1.57 0.00 -1.21 -4.83 105.19 103.91 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 0.90 0.00 1.61 1.81 -1.19 -4.95 118.95 124.01 2pkq s ARG 20 Ca 0.71 -1.40 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 2pkq s ARG 20 Cb 0.00 -0.05 0.00 0.00 -0.45 0.00 0.00 34.95 34.45 2pkq s ARG 20 CO 0.16 -0.12 0.79 1.63 -0.68 0.00 0.00 175.30 177.07 2pkq n LYS 21 N -0.09 0.00 -2.67 3.54 5.02 -1.26 -4.68 118.16 118.01 2pkq n LYS 21 Ca -0.09 0.69 -0.04 0.00 -2.02 0.00 0.00 58.31 56.84 2pkq n LYS 21 Cb 0.62 -1.29 0.06 0.00 -0.02 0.00 0.00 35.03 34.40 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 -1.99 -1.40 -4.50 4.39 5.75 -1.26 -5.15 116.55 112.40 2pkq n ASP 22 Ca 0.00 -2.04 -0.50 0.00 -0.01 0.00 0.00 54.79 52.24 2pkq n ASP 22 Cb 0.00 1.15 -0.04 0.00 -1.03 0.00 0.00 41.12 41.20 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 -0.10 0.10 0.15 -1.12 7.64 -1.26 -4.81 113.62 114.23 2pkq n SER 23 Ca -0.13 1.15 0.12 0.00 1.01 0.00 0.00 58.87 61.02 2pkq n SER 23 Cb 0.72 -1.07 0.53 0.00 -1.01 0.00 0.00 64.21 63.37 2pkq n SER 23 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2pkq h PRO 24 N 2.18 0.00 -7.23 1.43 0.11 -1.94 -3.44 132.00 123.11 2pkq h PRO 24 Ca -0.38 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.22 2pkq h PRO 24 Cb 1.40 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.59 2pkq h PRO 24 CO 0.63 0.00 0.37 -0.51 -0.21 0.00 0.00 178.00 178.28 2pkq s LEU 25 N -4.63 3.36 -0.34 2.35 2.01 -1.26 -1.43 118.68 118.74 2pkq s LEU 25 Ca 0.03 1.85 0.04 0.00 0.01 0.00 0.00 54.13 56.06 2pkq s LEU 25 Cb 0.09 -4.53 0.17 0.00 0.01 0.00 0.00 46.19 41.93 2pkq s LEU 25 CO 0.37 -1.46 0.49 -0.62 1.01 0.00 0.00 176.35 176.15 2pkq s ASP 26 N -2.93 -0.32 0.05 2.29 2.15 -0.22 -4.79 116.67 112.89 2pkq s ASP 26 Ca 0.64 -0.61 -0.30 0.00 0.43 0.00 0.00 52.55 52.70 2pkq s ASP 26 Cb -0.17 1.39 -0.08 0.00 -0.30 0.00 0.00 42.92 43.76 2pkq s ASP 26 CO 0.43 -0.28 1.73 -0.69 -0.17 0.00 0.00 175.17 176.19 2pkq s VAL 27 N 2.21 3.08 0.00 1.11 1.01 -1.26 -0.59 120.40 125.97 2pkq s VAL 27 Ca 0.13 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2pkq s VAL 27 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2pkq s VAL 27 CO -0.18 -0.01 0.06 1.33 0.00 0.00 0.00 175.10 176.29 2pkq n VAL 28 N 5.03 0.00 -3.63 2.92 0.24 -0.26 -4.85 118.33 117.77 2pkq n VAL 28 Ca 0.17 -0.39 -0.15 0.00 -2.04 0.00 0.00 64.34 61.93 2pkq n VAL 28 Cb 0.41 1.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.66 0.01 0.08 3.34 0.11 -1.24 -0.99 120.40 121.05 2pkq s VAL 29 Ca 0.00 -0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.02 2pkq s VAL 29 Cb 0.00 -0.85 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 2pkq s VAL 29 CO 0.00 -0.05 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.86 2pkq s VAL 30 N -0.58 1.31 -0.68 2.04 1.01 -0.85 -1.57 120.40 121.08 2pkq s VAL 30 Ca -0.07 -1.37 0.05 0.00 0.00 0.00 0.00 61.98 60.59 2pkq s VAL 30 Cb -0.03 -1.23 0.19 0.00 0.00 0.00 0.00 36.38 35.31 2pkq s VAL 30 CO 0.05 -0.16 0.56 -3.20 0.00 0.00 0.00 175.10 172.35 2pkq n ASN 31 N 1.24 3.14 -4.35 3.32 5.15 -0.57 -1.57 115.26 121.61 2pkq n ASN 31 Ca -0.21 -3.26 -0.38 0.00 -0.60 0.00 0.00 54.58 50.14 2pkq n ASN 31 Cb 0.54 -0.73 -0.12 0.00 -0.53 0.00 0.00 39.78 38.94 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 -1.71 5.33 -0.31 1.20 -1.08 -1.18 -3.25 116.67 115.69 2pkq s ASP 32 Ca 0.29 -0.79 -0.15 0.00 -0.52 0.00 0.00 52.55 51.38 2pkq s ASP 32 Cb 0.01 -1.92 -0.16 0.00 -1.46 0.00 0.00 42.92 39.39 2pkq s ASP 32 CO -0.13 -0.25 1.56 -1.20 0.52 0.00 0.00 175.17 175.68 2pkq n SER 33 N 4.90 1.66 0.00 -0.34 7.64 -1.26 -2.87 113.62 123.35 2pkq n SER 33 Ca -0.14 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.39 2pkq n SER 33 Cb 0.47 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 4.39 0.79 0.20 0.23 0.00 -1.26 -5.10 105.19 104.44 2pkq n GLY 34 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.13 0.23 -0.02 0.00 -1.14 -3.59 105.19 97.54 2pkq n GLY 36 Ca 0.00 -1.79 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 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 1.29 0.00 1.61 2.07 -1.91 -1.95 116.25 117.36 2pkq h VAL 37 Ca 0.00 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.09 2pkq h VAL 37 Cb 0.00 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2pkq h VAL 37 CO 0.00 0.46 0.00 2.29 0.02 0.00 0.00 177.57 180.34 2pkq n LYS 38 N -4.07 0.00 -0.23 1.57 2.85 -1.26 0.14 118.16 117.16 2pkq n LYS 38 Ca -0.01 0.20 0.31 0.00 -1.05 0.00 0.00 58.31 57.77 2pkq n LYS 38 Cb 0.47 -1.15 0.72 0.00 -0.65 0.00 0.00 35.03 34.42 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 0.00 0.71 -5.58 0.87 -1.65 0.26 113.55 108.16 2pkq h SER 39 Ca 0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.30 2pkq h SER 39 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2pkq h SER 39 CO 0.00 0.00 -1.29 0.00 -0.53 0.00 0.00 176.83 175.01 2pkq h ALA 40 N 1.35 0.34 0.10 6.23 0.00 -1.26 -3.29 119.26 122.74 2pkq h ALA 40 Ca 0.48 -1.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2pkq h ALA 40 Cb 2.07 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.95 2pkq h ALA 40 CO -0.01 1.21 -0.05 1.15 0.00 0.00 0.00 179.25 181.56 2pkq h THR 41 N 0.03 0.00 -0.69 0.00 2.02 0.32 -3.22 112.91 111.37 2pkq h THR 41 Ca -0.14 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 66.85 2pkq h THR 41 Cb 1.91 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.23 2pkq h THR 41 CO 0.15 0.00 -0.37 1.57 0.37 0.00 0.00 175.52 177.23 2pkq n HIS 42 N -3.10 -0.22 0.25 3.16 -0.00 -0.60 0.15 115.22 114.86 2pkq n HIS 42 Ca -0.02 0.86 0.09 0.00 -0.00 0.00 0.00 57.72 58.65 2pkq n HIS 42 Cb 0.05 -0.61 0.45 0.00 -0.00 0.00 0.00 29.99 29.89 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 -4.90 0.47 0.00 0.27 4.77 -1.24 -0.60 117.00 115.77 2pkq n LEU 43 Ca 0.03 0.67 -0.10 0.00 -0.03 0.00 0.00 56.01 56.58 2pkq n LEU 43 Cb 0.20 -0.67 -0.14 0.00 -2.33 0.00 0.00 43.42 40.48 2pkq n LEU 43 CO -0.11 -0.70 -0.42 0.25 -1.33 0.00 0.00 177.39 175.09 2pkq h LEU 44 N 0.00 0.07 0.18 2.23 5.85 0.13 -3.39 115.31 120.38 2pkq h LEU 44 Ca 0.00 -0.13 -0.29 0.00 0.84 0.00 0.00 57.88 58.29 2pkq h LEU 44 Cb 0.14 -0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.17 2pkq h LEU 44 CO 0.00 1.12 -1.39 0.50 -0.34 0.00 0.00 178.44 178.32 2pkq h LYS 45 N 0.01 0.37 -4.93 1.25 1.63 -0.02 -3.39 116.57 111.49 2pkq h LYS 45 Ca -0.25 -0.63 -0.67 0.00 -0.85 0.00 0.00 60.65 58.25 2pkq h LYS 45 Cb 1.98 0.24 -0.34 0.00 -0.60 0.00 0.00 32.23 33.50 2pkq h LYS 45 CO 0.10 1.30 -0.79 0.71 -3.45 0.00 0.00 179.45 177.32 2pkq s TYR 46 N -2.52 3.06 -0.10 1.91 2.02 0.23 0.86 117.35 122.80 2pkq s TYR 46 Ca -0.15 -1.83 0.01 0.00 -0.37 0.00 0.00 57.07 54.73 2pkq s TYR 46 Cb 0.04 -1.98 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 2pkq s TYR 46 CO 0.85 -0.80 -0.13 0.34 -1.57 0.00 0.00 175.55 174.24 2pkq s ASP 47 N 1.24 2.25 0.58 2.29 -1.08 -1.26 -4.48 116.67 116.22 2pkq s ASP 47 Ca -0.02 -0.38 0.36 0.00 -0.52 0.00 0.00 52.55 51.99 2pkq s ASP 47 Cb -0.17 -0.98 1.79 0.00 -1.46 0.00 0.00 42.92 42.09 2pkq s ASP 47 CO -0.07 -0.01 2.16 0.28 0.52 0.00 0.00 175.17 178.05 2pkq h SER 48 N 7.50 0.00 0.00 -0.34 0.02 -1.94 0.67 113.55 119.47 2pkq h SER 48 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 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 0.47 0.04 -1.60 -0.38 -1.14 0.00 0.00 176.83 174.22 2pkq n ILE 49 N -3.28 0.00 -0.01 3.27 5.41 -1.26 -4.59 119.36 118.90 2pkq n ILE 49 Ca -0.02 -0.31 0.04 0.00 1.00 0.00 0.00 62.75 63.47 2pkq n ILE 49 Cb 0.20 0.20 -0.08 0.00 -0.71 0.00 0.00 39.64 39.25 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 -1.96 0.00 0.00 1.39 4.77 -1.17 -4.98 117.00 115.05 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 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2pkq n LEU 50 CO 0.28 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2pkq n GLY 51 N 1.97 -2.11 1.41 -0.72 0.00 0.23 -4.90 105.19 101.08 2pkq n GLY 51 Ca -0.03 -1.35 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.96 0.00 -1.92 2.61 -1.04 -1.26 -4.34 114.28 107.37 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 -0.19 -0.03 0.00 -1.82 0.00 0.00 70.33 68.29 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 1.37 2.35 -1.24 -1.42 5.36 0.25 -4.92 117.98 119.72 2pkq s PHE 53 Ca 0.42 0.28 -0.18 0.00 -0.96 0.00 0.00 56.93 56.48 2pkq s PHE 53 Cb -0.58 -3.97 -0.00 0.00 -0.34 0.00 0.00 43.02 38.12 2pkq s PHE 53 CO 0.31 -3.94 1.96 1.63 -1.46 0.00 0.00 175.22 173.72 2pkq n LYS 54 N 5.76 2.54 0.00 10.12 5.02 -1.26 -4.85 118.16 135.48 2pkq n LYS 54 Ca 0.16 -2.69 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 2pkq n LYS 54 Cb 0.41 -3.37 0.00 0.00 -0.02 0.00 0.00 35.03 32.04 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 8.49 0.00 -1.56 7.82 0.00 -1.26 -5.11 120.51 128.89 2pkq n ALA 55 Ca 0.49 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.49 2pkq n ALA 55 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 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 2.98 -4.09 0.00 9.92 -1.26 -4.86 116.55 119.23 2pkq n ASP 56 Ca 0.00 0.23 -0.34 0.00 -0.53 0.00 0.00 54.79 54.14 2pkq n ASP 56 Cb 0.00 -1.49 -0.13 0.00 -0.64 0.00 0.00 41.12 38.86 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 8.23 2.92 0.21 2.53 1.01 -1.26 -0.50 120.40 133.54 2pkq s VAL 57 Ca 1.03 -2.10 0.09 0.00 0.00 0.00 0.00 61.98 61.00 2pkq s VAL 57 Cb -0.45 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2pkq s VAL 57 CO 0.38 -0.61 -0.07 -0.75 0.00 0.00 0.00 175.10 174.05 2pkq s LYS 58 N 1.07 2.13 -0.62 2.72 2.47 -0.78 -4.91 119.74 121.82 2pkq s LYS 58 Ca 0.08 -1.32 -0.20 0.00 -1.56 0.00 0.00 55.97 52.97 2pkq s LYS 58 Cb -0.21 -2.16 0.09 0.00 -1.46 0.00 0.00 37.83 34.09 2pkq s LYS 58 CO -0.05 0.41 0.81 0.42 0.16 0.00 0.00 175.35 177.10 2pkq s ILE 59 N -1.91 4.62 0.31 5.43 1.01 -1.26 -0.12 121.20 129.28 2pkq s ILE 59 Ca 0.27 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.20 2pkq s ILE 59 Cb -0.08 -4.57 -0.03 0.00 0.01 0.00 0.00 42.46 37.79 2pkq s ILE 59 CO 0.17 -1.26 0.50 -0.63 0.00 0.00 0.00 174.94 173.71 2pkq s ILE 60 N 3.25 5.14 0.00 2.92 1.01 -0.97 -4.94 121.20 127.61 2pkq s ILE 60 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2pkq s ILE 60 Cb -0.21 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.42 2pkq s ILE 60 CO 0.08 -0.47 0.00 -0.67 0.00 0.00 0.00 174.94 173.88 2pkq n ASP 60 N -1.56 -2.78 -0.43 3.58 -0.08 -1.26 -2.48 116.55 111.54 2pkq n ASP 60 Ca -0.05 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.27 2pkq n ASP 60 Cb 0.56 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.10 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 -3.40 2.20 -2.68 1.67 5.15 -1.26 -4.57 115.26 112.38 2pkq n ASN 61 Ca 0.00 -1.66 -0.06 0.00 -0.60 0.00 0.00 54.58 52.26 2pkq n ASN 61 Cb 0.00 -0.09 0.11 0.00 -0.53 0.00 0.00 39.78 39.27 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 0.42 1.13 -2.72 1.20 0.28 -1.25 -4.62 120.64 115.08 2pkq n GLU 62 Ca 0.07 -1.63 -0.05 0.00 -0.16 0.00 0.00 57.16 55.39 2pkq n GLU 62 Cb 0.30 0.03 0.04 0.00 1.43 0.00 0.00 31.44 33.23 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 -0.72 0.00 -1.51 3.84 -1.04 -1.04 -2.60 114.28 111.22 2pkq n THR 63 Ca -0.07 -0.83 -0.29 0.00 -2.04 0.00 0.00 64.05 60.82 2pkq n THR 63 Cb 0.84 1.01 0.17 0.00 -1.82 0.00 0.00 70.33 70.53 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 0.73 1.90 -0.08 -1.42 -0.12 -1.02 -2.28 117.98 115.69 2pkq s PHE 64 Ca 0.28 0.68 -0.04 0.00 -0.05 0.00 0.00 56.93 57.80 2pkq s PHE 64 Cb 0.12 -3.54 0.04 0.00 -0.63 0.00 0.00 43.02 39.01 2pkq s PHE 64 CO -0.12 -2.75 0.18 -1.54 -0.05 0.00 0.00 175.22 170.94 2pkq s SER 65 N -4.16 -0.11 -0.90 1.98 1.04 0.83 -0.77 113.70 111.62 2pkq s SER 65 Ca 0.67 0.37 -0.14 0.00 0.48 0.00 0.00 55.95 57.33 2pkq s SER 65 Cb -0.12 0.26 0.22 0.00 0.10 0.00 0.00 66.02 66.48 2pkq s SER 65 CO 0.54 -0.16 0.88 -0.63 0.98 0.00 0.00 173.24 174.85 2pkq s ILE 66 N 1.26 5.56 -0.32 -1.02 1.01 -0.64 -1.86 121.20 125.19 2pkq s ILE 66 Ca -0.09 -2.53 -0.02 0.00 0.00 0.00 0.00 60.65 58.02 2pkq s ILE 66 Cb -0.11 -4.54 0.00 0.00 0.01 0.00 0.00 42.46 37.82 2pkq s ILE 66 CO -0.07 -1.13 0.23 0.47 0.00 0.00 0.00 174.94 174.45 2pkq n ASP 67 N 4.10 -2.88 0.00 3.58 8.00 0.35 -3.73 116.55 125.97 2pkq n ASP 67 Ca 0.17 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2pkq n ASP 67 Cb 0.46 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 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 3.62 0.44 0.00 -1.26 -5.02 105.19 105.08 2pkq n GLY 68 Ca -0.01 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 0.72 1.61 1.02 -1.24 -4.93 119.74 120.53 2pkq s LYS 69 Ca 0.00 1.99 -0.11 0.00 0.02 0.00 0.00 55.97 57.86 2pkq s LYS 69 Cb 0.00 -4.19 0.03 0.00 -0.52 0.00 0.00 37.83 33.15 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 5.26 2.63 -0.21 -1.68 0.02 -1.26 -1.61 135.00 138.14 2pkq s PRO 70 Ca 0.86 1.11 -0.04 0.00 0.02 0.00 0.00 61.00 62.96 2pkq s PRO 70 Cb -0.32 -1.95 0.11 0.00 0.02 0.00 0.00 34.50 32.36 2pkq s PRO 70 CO 0.34 -1.35 0.28 0.42 -0.33 0.00 0.00 177.00 176.37 2pkq s ILE 71 N -2.87 -0.44 0.33 2.83 1.01 0.05 -4.82 121.20 117.30 2pkq s ILE 71 Ca 0.61 -0.06 -0.27 0.00 0.00 0.00 0.00 60.65 60.92 2pkq s ILE 71 Cb -0.16 -0.71 -0.09 0.00 0.01 0.00 0.00 42.46 41.51 2pkq s ILE 71 CO 0.53 -0.15 1.13 -0.75 0.00 0.00 0.00 174.94 175.70 2pkq s LYS 72 N 2.42 4.39 -0.09 2.79 2.47 -0.16 -2.44 119.74 129.12 2pkq s LYS 72 Ca 0.08 1.81 -0.00 0.00 -1.56 0.00 0.00 55.97 56.30 2pkq s LYS 72 Cb -0.15 -2.95 0.02 0.00 -1.46 0.00 0.00 37.83 33.29 2pkq s LYS 72 CO -0.13 -0.02 -0.05 0.08 0.16 0.00 0.00 175.35 175.39 2pkq s VAL 73 N -1.30 0.75 0.47 4.02 1.01 -1.07 -2.01 120.40 122.27 2pkq s VAL 73 Ca 0.50 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.39 2pkq s VAL 73 Cb -0.31 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2pkq s VAL 73 CO 0.40 0.31 0.12 -0.69 0.00 0.00 0.00 175.10 175.24 2pkq s VAL 74 N 1.62 1.70 -0.25 2.92 1.01 -0.61 -4.79 120.40 122.02 2pkq s VAL 74 Ca 0.02 -1.83 -0.09 0.00 0.00 0.00 0.00 61.98 60.08 2pkq s VAL 74 Cb -0.13 -2.53 0.10 0.00 0.00 0.00 0.00 36.38 33.82 2pkq s VAL 74 CO -0.05 0.00 0.54 -0.55 0.00 0.00 0.00 175.10 175.03 2pkq s SER 75 N -3.93 -0.70 -0.29 3.32 0.15 -1.26 -3.07 113.70 107.91 2pkq s SER 75 Ca 0.26 1.27 -0.16 0.00 0.70 0.00 0.00 55.95 58.02 2pkq s SER 75 Cb 0.03 1.72 0.16 0.00 -1.71 0.00 0.00 66.02 66.22 2pkq s SER 75 CO 0.14 -0.22 1.03 0.21 1.20 0.00 0.00 173.24 175.60 2pkq s ASN 76 N 2.57 -0.43 0.55 5.45 3.84 -1.26 -4.99 114.94 120.66 2pkq s ASN 76 Ca -0.05 0.67 0.28 0.00 0.21 0.00 0.00 52.86 53.98 2pkq s ASN 76 Cb -0.11 1.24 1.59 0.00 -0.55 0.00 0.00 41.25 43.41 2pkq s ASN 76 CO -0.16 -0.10 2.14 0.03 -2.79 0.00 0.00 177.10 176.22 2pkq h ARG 77 N 6.14 0.00 -4.26 0.43 3.08 -2.00 -3.38 114.38 114.38 2pkq h ARG 77 Ca -0.26 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.04 2pkq h ARG 77 Cb 1.17 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.99 2pkq h ARG 77 CO 0.18 0.07 0.17 0.34 -1.07 0.00 0.00 179.97 179.66 2pkq s ASP 78 N -6.19 6.51 0.35 7.04 -1.08 -1.26 -4.93 116.67 117.11 2pkq s ASP 78 Ca -0.04 -2.15 0.23 0.00 -0.52 0.00 0.00 52.55 50.07 2pkq s ASP 78 Cb 0.14 -2.26 1.23 0.00 -1.46 0.00 0.00 42.92 40.57 2pkq s ASP 78 CO 0.57 -0.82 1.36 -2.65 0.52 0.00 0.00 175.17 174.15 2pkq n PRO 79 N 5.13 -0.04 -0.23 4.34 -0.02 -1.26 -0.19 135.00 142.74 2pkq n PRO 79 Ca 0.05 1.14 0.22 0.00 -2.02 0.00 0.00 63.50 62.90 2pkq n PRO 79 Cb 0.45 -2.14 0.57 0.00 -0.02 0.00 0.00 33.50 32.36 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 0.29 -0.09 2.45 3.38 -1.92 0.39 115.31 119.81 2pkq h LEU 80 Ca 0.75 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.75 2pkq h LEU 80 Cb 2.19 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.92 2pkq h LEU 80 CO -0.54 0.11 -0.05 0.29 0.09 0.00 0.00 178.44 178.33 2pkq n LYS 81 N -4.45 0.51 -2.21 1.13 5.02 0.74 -4.75 118.16 114.15 2pkq n LYS 81 Ca 0.19 -0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 56.00 2pkq n LYS 81 Cb 0.78 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.27 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 -2.55 4.39 -0.01 -0.35 1.43 0.14 -4.93 118.68 116.80 2pkq s LEU 82 Ca 0.28 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 2pkq s LEU 82 Cb 0.20 -3.74 0.01 0.00 0.03 0.00 0.00 46.19 42.69 2pkq s LEU 82 CO 0.47 -0.52 1.35 -2.65 0.23 0.00 0.00 176.35 175.23 2pkq n PRO 83 N 0.67 1.02 -0.16 1.29 -0.02 -1.26 -4.53 135.00 132.00 2pkq n PRO 83 Ca 0.01 -0.04 -0.02 0.00 -2.02 0.00 0.00 63.50 61.43 2pkq n PRO 83 Cb 0.43 -1.02 0.07 0.00 -0.02 0.00 0.00 33.50 32.97 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 0.35 0.14 0.11 6.00 -0.00 -1.90 -0.12 115.95 120.54 2pkq h TRP 84 Ca 0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.93 2pkq h TRP 84 Cb 1.02 0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.19 2pkq h TRP 84 CO 0.10 -0.02 -0.05 0.00 -0.00 0.00 0.00 178.44 178.46 2pkq h ALA 85 N 1.41 -0.15 -0.63 1.49 0.00 -1.56 0.46 119.26 120.28 2pkq h ALA 85 Ca 0.26 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.13 2pkq h ALA 85 Cb 0.36 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 2pkq h ALA 85 CO -0.35 -0.42 0.01 1.49 0.00 0.00 0.00 179.25 179.98 2pkq h GLU 86 N -0.48 0.12 0.00 0.00 4.81 -1.74 0.23 114.58 117.53 2pkq h GLU 86 Ca -0.02 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 2pkq h GLU 86 Cb 0.39 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2pkq h GLU 86 CO 0.03 0.08 -0.37 -0.07 -0.73 0.00 0.00 179.01 177.95 2pkq h LEU 87 N 0.13 0.00 -2.09 1.64 3.38 -1.01 -3.48 115.31 113.87 2pkq h LEU 87 Ca 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 2pkq h LEU 87 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 2pkq h LEU 87 CO -0.53 0.37 -0.06 0.61 0.09 0.00 0.00 178.44 178.91 2pkq n GLY 88 N 1.15 0.42 3.70 0.83 0.00 0.13 -5.00 105.19 106.43 2pkq n GLY 88 Ca 0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.03 3.80 -0.14 -0.61 -1.09 0.64 -4.77 121.20 116.00 2pkq s ILE 89 Ca 0.00 1.24 -0.06 0.00 -2.23 0.00 0.00 60.65 59.61 2pkq s ILE 89 Cb -0.00 -3.80 -0.25 0.00 -1.58 0.00 0.00 42.46 36.83 2pkq s ILE 89 CO 0.06 0.05 0.30 0.47 -1.23 0.00 0.00 174.94 174.59 2pkq n ASP 90 N 4.57 2.11 -4.10 3.58 8.00 -0.24 -2.66 116.55 127.81 2pkq n ASP 90 Ca 0.11 0.18 -0.20 0.00 0.71 0.00 0.00 54.79 55.59 2pkq n ASP 90 Cb 0.45 -0.82 -0.14 0.00 -0.02 0.00 0.00 41.12 40.58 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 0.99 -0.12 0.53 1.01 -0.87 -0.96 121.20 119.23 2pkq s ILE 91 Ca -0.24 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.71 2pkq s ILE 91 Cb 0.07 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.69 2pkq s ILE 91 CO 0.75 0.15 -0.14 -0.69 0.00 0.00 0.00 174.94 175.01 2pkq s VAL 92 N -0.53 1.44 -0.84 2.92 1.01 -0.38 -0.36 120.40 123.66 2pkq s VAL 92 Ca 0.03 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 2pkq s VAL 92 Cb -0.06 -1.34 0.14 0.00 0.00 0.00 0.00 36.38 35.12 2pkq s VAL 92 CO 0.00 0.43 0.99 -0.63 0.00 0.00 0.00 175.10 175.89 2pkq s ILE 93 N 1.21 4.88 -0.93 2.22 -1.09 -0.39 -0.78 121.20 126.32 2pkq s ILE 93 Ca -0.02 -1.58 -0.24 0.00 -2.23 0.00 0.00 60.65 56.58 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 -0.05 -1.36 1.73 -0.70 -1.23 0.00 0.00 174.94 173.33 2pkq s GLU 94 N 2.29 2.99 -0.70 2.79 -6.30 0.02 -1.96 118.70 117.83 2pkq s GLU 94 Ca 0.26 -0.59 0.04 0.00 -2.50 0.00 0.00 54.97 52.18 2pkq s GLU 94 Cb -0.09 -5.13 0.31 0.00 0.00 0.00 0.00 34.13 29.21 2pkq s GLU 94 CO -0.06 -2.85 1.05 0.41 0.02 0.00 0.00 175.26 173.83 2pkq n GLY 95 N 6.78 5.40 0.00 -1.50 0.00 0.12 -2.16 105.19 113.83 2pkq n GLY 95 Ca 0.36 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.63 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 0.26 0.00 -0.81 2.61 -2.24 -1.26 -4.48 114.28 108.36 2pkq n THR 96 Ca 0.32 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 2pkq n THR 96 Cb 0.37 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 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 2.94 0.56 0.59 3.38 0.00 -1.26 -4.89 105.19 106.51 2pkq n GLY 97 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.81 1.08 -2.69 1.61 0.31 -1.26 -4.82 118.33 109.75 2pkq n VAL 98 Ca 0.00 0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.98 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 -2.35 2.84 -0.02 3.52 0.08 -1.26 -4.63 117.98 116.16 2pkq s PHE 99 Ca -0.16 -1.31 0.04 0.00 0.12 0.00 0.00 56.93 55.62 2pkq s PHE 99 Cb 0.04 -4.57 0.06 0.00 -0.57 0.00 0.00 43.02 37.97 2pkq s PHE 99 CO 0.22 -1.74 0.92 1.33 -0.10 0.00 0.00 175.22 175.85 2pkq n VAL 100 N 6.19 0.88 -4.43 -0.44 0.24 -1.26 -4.19 118.33 115.31 2pkq n VAL 100 Ca 0.35 -0.95 -0.25 0.00 -2.04 0.00 0.00 64.34 61.45 2pkq n VAL 100 Cb 0.48 0.47 -0.09 0.00 -1.47 0.00 0.00 33.84 33.23 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 -1.14 3.97 0.07 -1.34 1.47 -1.26 0.54 116.67 118.97 2pkq s ASP 101 Ca 0.06 -1.08 -0.22 0.00 1.18 0.00 0.00 52.55 52.49 2pkq s ASP 101 Cb 0.05 -0.45 -0.09 0.00 -0.34 0.00 0.00 42.92 42.10 2pkq s ASP 101 CO 0.01 -0.21 1.35 1.23 0.68 0.00 0.00 175.17 178.23 2pkq h GLY 102 N 1.92 -1.21 -0.47 2.12 0.00 -1.96 -1.82 103.07 101.65 2pkq h GLY 102 Ca -0.42 0.62 0.14 0.00 0.00 0.00 0.00 47.33 47.67 2pkq h GLY 102 CO 0.68 -0.34 -0.22 -2.55 0.00 0.00 0.00 176.54 174.11 2pkq h PRO 103 N -0.46 -0.03 0.00 4.80 0.11 -1.98 -1.46 132.00 132.98 2pkq h PRO 103 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2pkq h PRO 103 Cb 0.48 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2pkq h PRO 103 CO -0.21 -0.02 0.00 0.41 -0.21 0.00 0.00 178.00 177.97 2pkq n GLY 104 N -1.47 -2.67 0.66 -0.55 0.00 -1.07 -2.91 105.19 97.18 2pkq n GLY 104 Ca 0.09 0.00 0.47 0.00 0.00 0.00 0.00 46.02 46.57 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 3.63 0.00 4.61 0.00 -1.39 1.84 119.26 125.95 2pkq h ALA 105 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pkq h ALA 105 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2pkq h ALA 105 CO 0.00 -2.25 0.00 0.78 0.00 0.00 0.00 179.25 177.78 2pkq h GLY 106 N 0.00 0.00 1.08 0.00 0.00 -1.26 -2.91 103.07 99.98 2pkq h GLY 106 Ca 0.82 0.00 0.09 0.00 0.00 0.00 0.00 47.33 48.24 2pkq h GLY 106 CO -0.01 0.00 0.37 0.50 0.00 0.00 0.00 176.54 177.40 2pkq h LYS 107 N 0.00 0.00 -0.15 4.80 1.57 0.30 0.47 116.57 123.56 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 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2pkq h LYS 107 CO 0.00 0.00 -0.49 0.45 -0.57 0.00 0.00 179.45 178.84 2pkq h HIS 108 N 0.00 0.47 -0.23 -1.35 3.86 -1.67 -2.37 115.15 113.86 2pkq h HIS 108 Ca 0.15 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 2pkq h HIS 108 Cb 0.90 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 2pkq h HIS 108 CO 0.00 0.80 -0.07 0.82 0.86 0.00 0.00 177.93 180.34 2pkq h ILE 109 N 0.31 1.29 -0.56 2.45 1.08 -0.27 -1.16 117.51 120.65 2pkq h ILE 109 Ca 0.01 -1.09 0.11 0.00 -0.39 0.00 0.00 64.86 63.51 2pkq h ILE 109 Cb 0.98 1.53 -0.03 0.00 -3.07 0.00 0.00 36.82 36.22 2pkq h ILE 109 CO 0.08 0.34 0.38 1.56 -0.69 0.00 0.00 178.15 179.82 2pkq h GLN 110 N 0.18 0.27 0.00 2.37 4.20 -1.31 0.24 115.11 121.07 2pkq h GLN 110 Ca 0.06 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2pkq h GLN 110 Cb 0.54 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2pkq h GLN 110 CO 0.03 0.18 -0.02 0.00 -0.67 0.00 0.00 178.83 178.34 2pkq h ALA 111 N 1.72 1.00 0.00 3.87 0.00 -1.07 -3.46 119.26 121.32 2pkq h ALA 111 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2pkq h ALA 111 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2pkq h ALA 111 CO -0.06 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.63 2pkq n GLY 112 N 0.38 1.20 3.84 0.00 0.00 0.83 -2.39 105.19 109.06 2pkq n GLY 112 Ca 0.02 0.00 -0.32 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 -1.49 3.23 -0.17 4.61 0.00 -0.47 -3.74 121.76 123.73 2pkq s ALA 113 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.92 2pkq s ALA 113 Cb 0.00 -2.89 -0.11 0.00 0.00 0.00 0.00 23.12 20.12 2pkq s ALA 113 CO 0.00 0.19 0.07 0.87 0.00 0.00 0.00 175.76 176.90 2pkq h LYS 114 N 1.93 0.00 -4.79 0.00 1.79 -1.58 -3.40 116.57 110.53 2pkq h LYS 114 Ca -0.48 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 57.64 2pkq h LYS 114 Cb 1.18 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.59 2pkq h LYS 114 CO 0.64 0.51 -0.76 0.15 -1.08 0.00 0.00 179.45 178.91 2pkq s LYS 115 N -2.24 0.65 -0.11 3.15 1.02 -0.14 -4.92 119.74 117.16 2pkq s LYS 115 Ca -0.20 -0.63 0.02 0.00 0.02 0.00 0.00 55.97 55.18 2pkq s LYS 115 Cb 0.03 -0.56 0.01 0.00 -0.52 0.00 0.00 37.83 36.80 2pkq s LYS 115 CO 0.40 0.13 -0.17 0.08 -0.92 0.00 0.00 175.35 174.87 2pkq s VAL 116 N -0.91 1.62 -0.22 3.17 1.01 -0.26 -1.25 120.40 123.57 2pkq s VAL 116 Ca -0.03 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 2pkq s VAL 116 Cb -0.07 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2pkq s VAL 116 CO 0.01 0.47 -0.02 -0.63 0.00 0.00 0.00 175.10 174.92 2pkq s ILE 117 N 0.86 3.56 -0.09 2.22 1.01 0.04 -1.63 121.20 127.17 2pkq s ILE 117 Ca -0.09 -0.43 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 2pkq s ILE 117 Cb -0.15 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2pkq s ILE 117 CO -0.00 0.41 0.55 -0.63 0.00 0.00 0.00 174.94 175.27 2pkq s ILE 118 N 1.48 5.12 -1.00 2.92 1.01 0.80 -0.80 121.20 130.72 2pkq s ILE 118 Ca 0.06 1.13 -0.05 0.00 0.00 0.00 0.00 60.65 61.78 2pkq s ILE 118 Cb -0.14 -3.89 0.09 0.00 0.01 0.00 0.00 42.46 38.53 2pkq s ILE 118 CO -0.02 0.32 2.54 0.35 0.00 0.00 0.00 174.94 178.13 2pkq n THR 119 N 3.58 4.55 0.00 2.92 -2.24 -0.92 -1.87 114.28 120.30 2pkq n THR 119 Ca -0.05 -3.82 0.00 0.00 -2.27 0.00 0.00 64.05 57.91 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 1.45 0.00 -1.77 6.98 0.00 -1.22 -4.93 120.51 121.01 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 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 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 4.25 0.41 0.00 0.02 -1.20 -4.20 135.00 132.29 2pkq s PRO 121 Ca 0.00 1.85 -0.23 0.00 0.02 0.00 0.00 61.00 62.64 2pkq s PRO 121 Cb 0.00 -2.85 -0.09 0.00 0.02 0.00 0.00 34.50 31.58 2pkq s PRO 121 CO 0.00 -0.15 1.02 0.00 -0.33 0.00 0.00 177.00 177.54 2pkq s ALA 122 N -1.33 3.05 -0.42 -1.55 0.00 -1.26 -4.92 121.76 115.33 2pkq s ALA 122 Ca 0.53 0.62 0.23 0.00 0.00 0.00 0.00 51.96 53.34 2pkq s ALA 122 Cb -0.31 -3.24 0.06 0.00 0.00 0.00 0.00 23.12 19.62 2pkq s ALA 122 CO 0.40 -0.14 1.04 1.17 0.00 0.00 0.00 175.76 178.24 2pkq n LYS 122 N -0.25 0.44 0.00 0.00 4.81 0.19 -4.87 118.16 118.49 2pkq n LYS 122 Ca 0.06 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 2pkq n LYS 122 Cb 0.51 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.86 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 -0.19 0.00 3.14 0.00 -1.25 -4.99 105.19 103.17 2pkq n GLY 123 Ca 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.13 1.61 3.41 -1.26 -4.88 113.62 112.37 2pkq n SER 123 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 2pkq n SER 123 Cb 0.00 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.03 0.46 -4.65 4.04 5.75 -1.26 -4.81 116.55 116.05 2pkq n ASP 124 Ca 0.00 -0.74 -0.35 0.00 -0.01 0.00 0.00 54.79 53.68 2pkq n ASP 124 Cb 0.00 -0.07 -0.09 0.00 -1.03 0.00 0.00 41.12 39.93 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 -2.32 5.04 0.24 2.12 1.01 -1.26 -5.05 121.20 120.98 2pkq s ILE 125 Ca 0.34 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 2pkq s ILE 125 Cb 0.21 -3.31 -0.09 0.00 0.01 0.00 0.00 42.46 39.28 2pkq s ILE 125 CO 0.43 0.42 1.28 -2.84 0.00 0.00 0.00 174.94 174.23 2pkq s PRO 126 N 0.63 4.41 -0.25 2.79 0.02 -1.26 -4.87 135.00 136.48 2pkq s PRO 126 Ca 0.06 2.06 -0.05 0.00 0.02 0.00 0.00 61.00 63.09 2pkq s PRO 126 Cb -0.13 -3.16 -0.00 0.00 0.02 0.00 0.00 34.50 31.23 2pkq s PRO 126 CO 0.01 -0.18 0.01 0.99 -0.33 0.00 0.00 177.00 177.51 2pkq s THR 127 N -0.34 3.66 0.22 0.99 2.01 -1.26 -1.08 115.64 119.83 2pkq s THR 127 Ca 0.53 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 62.04 2pkq s THR 127 Cb -0.37 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 2pkq s THR 127 CO 0.42 0.27 0.01 -0.31 -0.69 0.00 0.00 174.62 174.32 2pkq s TYR 128 N 1.49 2.80 -0.40 4.92 2.02 -0.45 -4.60 117.35 123.13 2pkq s TYR 128 Ca 0.04 -0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 2pkq s TYR 128 Cb -0.16 -1.30 0.16 0.00 -0.40 0.00 0.00 41.96 40.27 2pkq s TYR 128 CO -0.00 0.56 0.39 0.08 -1.57 0.00 0.00 175.55 175.01 2pkq s VAL 129 N -2.02 -0.16 0.04 0.71 1.01 -1.26 -3.81 120.40 114.91 2pkq s VAL 129 Ca 0.30 -1.57 -0.22 0.00 0.00 0.00 0.00 61.98 60.49 2pkq s VAL 129 Cb -0.08 -0.81 -0.12 0.00 0.00 0.00 0.00 36.38 35.38 2pkq s VAL 129 CO 0.20 -0.75 0.54 0.52 0.00 0.00 0.00 175.10 175.60 2pkq n VAL 130 N 3.64 0.43 0.00 2.92 0.31 -1.26 -0.69 118.33 123.68 2pkq n VAL 130 Ca 0.18 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2pkq n VAL 130 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 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 1.04 2.85 0.00 2.92 0.00 -1.26 -4.88 105.19 105.86 2pkq n GLY 131 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.13 -4.89 118.33 112.83 2pkq n VAL 132 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 2pkq n VAL 132 Cb 0.00 -0.63 -0.01 0.00 -0.91 0.00 0.00 33.84 32.29 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 -0.92 4.27 0.09 4.52 2.04 -1.25 -4.82 115.26 119.19 2pkq n ASN 133 Ca 0.00 -3.61 -0.07 0.00 -0.44 0.00 0.00 54.58 50.46 2pkq n ASN 133 Cb 0.00 -0.50 0.02 0.00 -2.53 0.00 0.00 39.78 36.76 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 2.75 0.13 -0.87 -3.83 9.09 -1.90 -3.21 114.58 116.74 2pkq h GLU 134 Ca 0.21 -0.14 0.13 0.00 0.05 0.00 0.00 59.36 59.61 2pkq h GLU 134 Cb 0.81 0.04 -0.09 0.00 -1.65 0.00 0.00 28.75 27.86 2pkq h GLU 134 CO 0.80 0.89 0.48 -0.22 0.05 0.00 0.00 179.01 181.01 2pkq h LYS 135 N 0.08 0.70 0.00 1.06 1.63 -1.99 -0.92 116.57 117.13 2pkq h LYS 135 Ca -0.03 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2pkq h LYS 135 Cb 1.44 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2pkq h LYS 135 CO 0.12 0.46 0.13 -0.25 -3.45 0.00 0.00 179.45 176.46 2pkq n ASP 136 N -4.80 0.00 -4.59 4.20 9.92 -1.21 -4.35 116.55 115.71 2pkq n ASP 136 Ca 0.17 0.12 -0.35 0.00 -0.53 0.00 0.00 54.79 54.19 2pkq n ASP 136 Cb 0.40 -0.12 -0.10 0.00 -0.64 0.00 0.00 41.12 40.66 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 -1.96 3.22 -0.08 1.24 5.04 -0.35 -5.07 117.35 119.38 2pkq s TYR 137 Ca 0.00 -0.01 -0.08 0.00 -2.44 0.00 0.00 57.07 54.54 2pkq s TYR 137 Cb 0.00 -2.15 0.02 0.00 0.35 0.00 0.00 41.96 40.18 2pkq s TYR 137 CO 0.00 0.02 0.22 0.20 -1.34 0.00 0.00 175.55 174.65 2pkq s GLY 138 N 0.79 -0.16 0.97 8.97 0.00 -1.26 -5.05 107.32 111.58 2pkq s GLY 138 Ca 0.04 0.60 -0.16 0.00 0.00 0.00 0.00 44.72 45.20 2pkq s GLY 138 CO 0.02 0.50 -0.44 1.57 0.00 0.00 0.00 173.10 174.76 2pkq n HIS 139 N 2.85 -4.08 0.00 1.90 -0.00 -1.26 -1.52 115.22 113.11 2pkq n HIS 139 Ca -0.13 0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.10 2pkq n HIS 139 Cb 0.58 -1.54 0.00 0.00 -0.12 0.00 0.00 29.99 28.91 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 2.09 0.00 -4.44 0.26 8.00 -1.26 -4.91 116.55 116.29 2pkq n ASP 139 Ca 0.01 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 2pkq n ASP 139 Cb 0.55 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.55 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 -0.47 4.42 0.27 2.53 1.01 -0.57 -4.85 120.40 122.74 2pkq s VAL 140 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2pkq s VAL 140 Cb 0.00 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.72 2pkq s VAL 140 CO 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 175.10 173.69 2pkq n ALA 141 N 7.43 -1.58 -0.98 5.51 0.00 -1.26 -4.74 120.51 124.89 2pkq n ALA 141 Ca -0.03 0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.76 2pkq n ALA 141 Cb 0.45 -1.08 0.34 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.03 4.86 -3.60 0.00 3.02 -1.26 -4.83 115.26 113.42 2pkq n ASN 142 Ca 0.00 -3.03 -0.19 0.00 -0.03 0.00 0.00 54.58 51.33 2pkq n ASN 142 Cb 0.00 -0.64 -0.15 0.00 -0.61 0.00 0.00 39.78 38.38 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 -2.84 -0.25 0.19 2.41 1.01 -1.26 -1.10 121.20 119.36 2pkq s ILE 143 Ca 0.50 0.12 0.06 0.00 0.00 0.00 0.00 60.65 61.33 2pkq s ILE 143 Cb 0.39 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 42.35 2pkq s ILE 143 CO 0.13 -0.04 -0.11 0.27 0.00 0.00 0.00 174.94 175.18 2pkq s ILE 144 N 2.28 1.47 -0.11 2.92 -4.36 -0.65 -3.99 121.20 118.77 2pkq s ILE 144 Ca 0.04 -2.14 0.02 0.00 -0.26 0.00 0.00 60.65 58.31 2pkq s ILE 144 Cb -0.14 -2.02 0.01 0.00 1.25 0.00 0.00 42.46 41.57 2pkq s ILE 144 CO -0.08 -0.62 -0.17 -0.55 0.24 0.00 0.00 174.94 173.76 2pkq s SER 145 N -3.27 2.55 -0.03 4.36 0.15 -0.24 -0.14 113.70 117.08 2pkq s SER 145 Ca 0.21 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2pkq s SER 145 Cb 0.01 -1.15 0.04 0.00 -1.71 0.00 0.00 66.02 63.21 2pkq s SER 145 CO 0.05 0.04 1.00 -3.20 1.20 0.00 0.00 173.24 172.33 2pkq n ASN 146 N 4.09 2.85 0.00 5.45 2.85 -0.78 -1.34 115.26 128.38 2pkq n ASN 146 Ca -0.19 -2.10 0.00 0.00 -0.11 0.00 0.00 54.58 52.18 2pkq n ASN 146 Cb 0.51 -0.52 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 0.35 0.00 -2.61 5.20 0.00 -1.25 -4.82 120.51 117.39 2pkq n ALA 147 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 2pkq n ALA 147 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 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 4.86 0.16 0.00 0.15 -1.26 -3.21 113.70 110.40 2pkq s SER 148 Ca 0.00 -0.61 -0.13 0.00 0.70 0.00 0.00 55.95 55.91 2pkq s SER 148 Cb 0.00 -0.91 0.06 0.00 -1.71 0.00 0.00 66.02 63.46 2pkq s SER 148 CO 0.00 -0.17 1.73 0.00 1.20 0.00 0.00 173.24 176.00 2pkq h THR 150 N 0.75 0.73 -0.71 0.00 2.02 -1.96 -2.78 112.91 110.97 2pkq h THR 150 Ca 0.19 -0.79 0.12 0.00 0.77 0.00 0.00 66.41 66.69 2pkq h THR 150 Cb 0.17 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 2pkq h THR 150 CO -0.02 0.15 0.47 0.74 0.37 0.00 0.00 175.52 177.24 2pkq h THR 151 N -0.80 0.87 0.00 3.16 2.02 -1.75 0.39 112.91 116.79 2pkq h THR 151 Ca -0.04 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2pkq h THR 151 Cb 0.51 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2pkq h THR 151 CO 0.06 0.09 0.00 -3.20 0.37 0.00 0.00 175.52 172.84 2pkq n ASN 152 N -4.49 0.03 -0.10 4.18 4.05 0.60 -1.03 115.26 118.51 2pkq n ASN 152 Ca 0.13 0.50 -0.10 0.00 0.45 0.00 0.00 54.58 55.56 2pkq n ASN 152 Cb 0.42 -0.51 -0.16 0.00 1.23 0.00 0.00 39.78 40.76 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 -0.00 -0.10 0.00 5.85 -0.54 -3.39 115.31 117.12 2pkq h LEU 154 Ca -0.53 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.19 2pkq h LEU 154 Cb 2.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.24 2pkq h LEU 154 CO 0.03 0.20 -0.06 0.00 -0.34 0.00 0.00 178.44 178.27 2pkq n ALA 155 N -2.31 -0.06 -0.15 1.25 0.00 -0.20 -0.90 120.51 118.13 2pkq n ALA 155 Ca -0.00 0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.48 2pkq n ALA 155 Cb 0.00 0.09 -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 -2.99 -0.16 0.00 0.00 -0.02 -1.26 -0.14 135.00 130.44 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 0.03 -1.64 0.52 0.00 -0.02 0.00 0.00 33.50 32.39 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 -3.79 0.03 0.02 6.00 1.16 -0.68 -2.40 117.46 117.81 2pkq n PHE 157 Ca 0.01 0.01 -0.17 0.00 -1.87 0.00 0.00 57.45 55.43 2pkq n PHE 157 Cb 0.09 -0.52 -0.07 0.00 -1.61 0.00 0.00 39.48 37.37 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 1.30 0.00 1.97 2.07 0.14 -2.89 116.25 118.85 2pkq h VAL 158 Ca 0.00 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.35 2pkq h VAL 158 Cb 0.43 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2pkq h VAL 158 CO 0.00 0.67 0.00 1.17 0.02 0.00 0.00 177.57 179.43 2pkq n LYS 159 N -3.86 0.00 -0.52 1.57 4.81 0.81 -2.02 118.16 118.94 2pkq n LYS 159 Ca -0.09 0.47 0.42 0.00 -0.87 0.00 0.00 58.31 58.25 2pkq n LYS 159 Cb 0.81 -1.42 0.68 0.00 0.02 0.00 0.00 35.03 35.13 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 -1.86 -0.15 0.30 3.15 0.31 -1.16 -0.03 118.33 118.89 2pkq n VAL 160 Ca 0.00 1.58 -0.14 0.00 -0.01 0.00 0.00 64.34 65.77 2pkq n VAL 160 Cb 0.00 -2.61 -0.07 0.00 -0.91 0.00 0.00 33.84 30.25 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 -0.66 -0.27 7.52 3.38 -1.21 -2.83 115.31 121.24 2pkq h LEU 161 Ca 0.84 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.73 2pkq h LEU 161 Cb 2.96 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 43.87 2pkq h LEU 161 CO -0.29 -0.30 -0.02 -0.78 0.09 0.00 0.00 178.44 177.15 2pkq h ASP 162 N -1.07 0.48 0.21 -0.43 3.58 0.17 -1.25 116.42 118.10 2pkq h ASP 162 Ca -0.08 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2pkq h ASP 162 Cb 0.65 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2pkq h ASP 162 CO 0.13 0.69 0.00 1.21 -2.88 0.00 0.00 179.24 178.39 2pkq n GLU 163 N -4.59 0.06 -1.77 0.28 2.13 0.32 -0.52 120.64 116.55 2pkq n GLU 163 Ca -0.03 0.29 -0.01 0.00 0.66 0.00 0.00 57.16 58.06 2pkq n GLU 163 Cb 0.26 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.49 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 0.53 0.00 5.31 1.02 -1.07 -4.89 120.64 120.14 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 0.08 -0.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 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 -0.19 0.00 -1.91 -4.62 7.94 -0.49 -4.94 117.00 112.78 2pkq n LEU 165 Ca -0.09 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.79 2pkq n LEU 165 Cb 0.90 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.83 2pkq n LEU 165 CO -0.07 0.00 -0.28 0.61 -1.11 0.00 0.00 177.39 176.53 2pkq n GLY 166 N -0.01 -4.01 3.58 -3.96 0.00 0.32 -1.78 105.19 99.33 2pkq n GLY 166 Ca 0.00 0.45 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.28 4.45 0.03 -0.61 1.01 -1.26 -0.03 121.20 124.51 2pkq s ILE 167 Ca -0.11 0.91 -0.28 0.00 0.00 0.00 0.00 60.65 61.17 2pkq s ILE 167 Cb 0.01 -4.44 -0.16 0.00 0.01 0.00 0.00 42.46 37.87 2pkq s ILE 167 CO 0.29 -0.80 1.28 0.58 0.00 0.00 0.00 174.94 176.29 2pkq h VAL 168 N 6.05 0.34 0.00 2.92 2.07 -1.82 -3.47 116.25 122.35 2pkq h VAL 168 Ca -0.24 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2pkq h VAL 168 Cb 1.07 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2pkq h VAL 168 CO 1.03 0.04 0.00 2.29 0.02 0.00 0.00 177.57 180.96 2pkq n LYS 169 N -5.32 0.00 -3.64 1.57 -0.00 -1.25 -4.97 118.16 104.54 2pkq n LYS 169 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.19 2pkq n LYS 169 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.35 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 0.55 2.58 0.00 -1.04 -2.46 107.32 106.59 2pkq s GLY 170 Ca 0.00 0.69 0.09 0.00 0.00 0.00 0.00 44.72 45.50 2pkq s GLY 170 CO 0.00 0.15 0.69 -1.08 0.00 0.00 0.00 173.10 172.87 2pkq s THR 171 N -2.63 2.13 -0.02 0.90 -1.32 -1.09 -3.54 115.64 110.07 2pkq s THR 171 Ca 0.13 -1.10 -0.28 0.00 -1.21 0.00 0.00 61.69 59.23 2pkq s THR 171 Cb 0.03 -2.23 0.10 0.00 -1.51 0.00 0.00 72.50 68.88 2pkq s THR 171 CO -0.03 0.00 0.83 0.00 -2.21 0.00 0.00 174.62 173.21 2pkq s MET 172 N -4.56 0.89 0.10 7.08 0.23 -0.39 -1.00 119.30 121.66 2pkq s MET 172 Ca 0.56 -0.15 0.02 0.00 -1.03 0.00 0.00 55.69 55.08 2pkq s MET 172 Cb -0.05 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.62 2pkq s MET 172 CO 0.35 -0.35 -0.06 0.99 -2.03 0.00 0.00 175.02 173.92 2pkq s THR 173 N -2.52 0.67 -0.23 3.16 2.01 -0.94 -2.81 115.64 114.99 2pkq s THR 173 Ca 0.00 -1.94 -0.03 0.00 0.31 0.00 0.00 61.69 60.04 2pkq s THR 173 Cb -0.01 -1.72 0.11 0.00 0.01 0.00 0.00 72.50 70.89 2pkq s THR 173 CO -0.05 -0.84 0.26 0.28 -0.69 0.00 0.00 174.62 173.58 2pkq s THR 174 N -3.64 -0.38 -0.55 -0.82 -1.32 -1.23 0.51 115.64 108.21 2pkq s THR 174 Ca 0.13 -0.18 -0.28 0.00 -1.21 0.00 0.00 61.69 60.15 2pkq s THR 174 Cb 0.05 -0.76 0.01 0.00 -1.51 0.00 0.00 72.50 70.29 2pkq s THR 174 CO -0.04 -0.25 1.48 -0.89 -2.21 0.00 0.00 174.62 172.72 2pkq s THR 175 N 2.36 3.72 -0.08 5.08 2.01 -0.42 -0.85 115.64 127.46 2pkq s THR 175 Ca 0.08 0.61 0.01 0.00 0.31 0.00 0.00 61.69 62.70 2pkq s THR 175 Cb -0.15 -4.33 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 2pkq s THR 175 CO -0.17 -1.09 -0.10 -2.28 -0.69 0.00 0.00 174.62 170.29 2pkq s HIS 176 N 6.40 2.85 0.32 4.92 5.04 0.13 -1.65 115.29 133.29 2pkq s HIS 176 Ca 0.56 -0.17 -0.29 0.00 -1.54 0.00 0.00 55.06 53.61 2pkq s HIS 176 Cb -0.12 -1.73 -0.11 0.00 0.04 0.00 0.00 32.58 30.66 2pkq s HIS 176 CO 0.25 0.16 1.55 -1.12 -2.34 0.00 0.00 174.74 173.25 2pkq s SER 177 N -0.49 6.38 0.93 9.88 0.01 -1.26 -1.72 113.70 127.43 2pkq s SER 177 Ca 0.07 2.97 -0.11 0.00 1.31 0.00 0.00 55.95 60.18 2pkq s SER 177 Cb -0.12 -2.64 0.10 0.00 0.21 0.00 0.00 66.02 63.57 2pkq s SER 177 CO 0.02 -0.89 0.83 0.00 0.41 0.00 0.00 173.24 173.60 2pkq n TYR 178 N 1.67 -0.15 -4.11 2.43 0.18 -1.17 -4.84 117.16 111.17 2pkq n TYR 178 Ca 0.06 0.33 -0.08 0.00 1.88 0.00 0.00 57.90 60.08 2pkq n TYR 178 Cb 0.38 -1.91 -0.10 0.00 -0.38 0.00 0.00 39.34 37.33 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 -2.53 0.38 0.51 -3.48 -4.23 -1.26 -4.75 115.64 100.27 2pkq s THR 179 Ca 0.63 -1.81 0.44 0.00 -1.18 0.00 0.00 61.69 59.77 2pkq s THR 179 Cb -0.22 -1.52 0.66 0.00 1.34 0.00 0.00 72.50 72.76 2pkq s THR 179 CO 0.62 -0.93 1.49 0.61 -0.54 0.00 0.00 174.62 175.87 2pkq n GLY 180 N 0.13 -0.91 0.00 3.99 0.00 -1.26 0.33 105.19 107.47 2pkq n GLY 180 Ca -0.14 0.68 0.09 0.00 0.00 0.00 0.00 46.02 46.65 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 -4.01 0.00 -4.93 1.61 5.75 -1.26 -4.75 116.55 108.96 2pkq n ASP 181 Ca 0.42 -0.04 -0.26 0.00 -0.01 0.00 0.00 54.79 54.89 2pkq n ASP 181 Cb 1.83 -0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 41.64 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 -2.50 3.54 0.44 0.11 -0.21 0.15 -4.92 119.66 116.27 2pkq s GLN 182 Ca 0.18 -0.25 -0.21 0.00 0.02 0.00 0.00 55.36 55.11 2pkq s GLN 182 Cb 0.12 -2.73 -0.10 0.00 1.00 0.00 0.00 33.01 31.30 2pkq s GLN 182 CO 0.27 0.27 0.97 0.50 -2.12 0.00 0.00 175.29 175.18 2pkq s ARG 183 N -3.70 4.14 0.03 2.91 6.06 0.00 -4.90 118.95 123.49 2pkq s ARG 183 Ca 0.40 1.15 -0.15 0.00 -2.50 0.00 0.00 55.73 54.63 2pkq s ARG 183 Cb -0.10 -2.16 -0.35 0.00 0.06 0.00 0.00 34.95 32.39 2pkq s ARG 183 CO 0.31 -0.11 1.01 1.25 -2.50 0.00 0.00 175.30 175.26 2pkq h LEU 184 N 1.80 0.83 -8.24 -0.88 5.85 -1.90 -0.24 115.31 112.54 2pkq h LEU 184 Ca -0.49 -0.89 -0.28 0.00 0.84 0.00 0.00 57.88 57.06 2pkq h LEU 184 Cb 1.19 -0.27 -0.20 0.00 0.37 0.00 0.00 40.66 41.75 2pkq h LEU 184 CO 0.61 1.70 -0.73 -0.76 -0.34 0.00 0.00 178.44 178.91 2pkq s LEU 185 N -7.57 2.31 -0.78 2.25 1.43 -1.26 -3.87 118.68 111.19 2pkq s LEU 185 Ca -0.09 -0.64 -0.34 0.00 -1.03 0.00 0.00 54.13 52.03 2pkq s LEU 185 Cb 0.04 -0.18 -0.19 0.00 0.03 0.00 0.00 46.19 45.90 2pkq s LEU 185 CO 0.95 -0.24 2.50 0.47 0.23 0.00 0.00 176.35 180.25 2pkq n ASP 186 N 1.16 0.76 -4.01 2.29 9.92 -1.25 -4.58 116.55 120.84 2pkq n ASP 186 Ca -0.21 0.24 -0.10 0.00 -0.53 0.00 0.00 54.79 54.20 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 8.51 0.23 0.20 2.24 0.00 -0.72 -4.99 121.76 127.23 2pkq s ALA 187 Ca 1.26 -1.04 -0.32 0.00 0.00 0.00 0.00 51.96 51.86 2pkq s ALA 187 Cb -1.17 0.86 -0.15 0.00 0.00 0.00 0.00 23.12 22.66 2pkq s ALA 187 CO 0.51 -0.60 1.29 0.43 0.00 0.00 0.00 175.76 177.38 2pkq n SER 188 N -0.18 2.01 -3.64 0.00 7.64 -1.26 -4.59 113.62 113.61 2pkq n SER 188 Ca -0.07 1.14 -0.07 0.00 1.01 0.00 0.00 58.87 60.88 2pkq n SER 188 Cb 0.63 -1.31 -0.07 0.00 -1.01 0.00 0.00 64.21 62.45 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 -0.06 -0.71 0.26 1.43 5.04 -1.26 -4.91 115.29 115.07 2pkq s HIS 190 Ca 0.72 1.54 0.11 0.00 -1.54 0.00 0.00 55.06 55.89 2pkq s HIS 190 Cb -0.76 0.41 0.62 0.00 0.04 0.00 0.00 32.58 32.89 2pkq s HIS 190 CO 0.50 -0.35 1.24 0.07 -2.34 0.00 0.00 174.74 173.86 2pkq h ARG 191 N 5.65 0.00 -4.19 2.88 0.11 -1.84 -3.29 114.38 113.71 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 0.14 0.00 -0.73 0.34 0.10 0.00 0.00 179.97 179.82 2pkq s ASP 192 N -3.32 4.45 0.00 0.08 -1.08 -1.26 -4.99 116.67 110.55 2pkq s ASP 192 Ca -0.01 -2.00 0.00 0.00 -0.52 0.00 0.00 52.55 50.02 2pkq s ASP 192 Cb 0.03 -1.33 0.00 0.00 -1.46 0.00 0.00 42.92 40.17 2pkq s ASP 192 CO 0.10 -0.39 0.07 0.18 0.52 0.00 0.00 175.17 175.66 2pkq n LEU 193 N 4.43 0.00 -0.10 -1.34 4.32 -1.24 -0.35 117.00 122.72 2pkq n LEU 193 Ca 0.02 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.82 2pkq n LEU 193 Cb 0.42 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.14 2pkq n LEU 193 CO 0.18 0.00 -1.19 0.54 -1.22 0.00 0.00 177.39 175.71 2pkq n ARG 194 N -0.42 0.46 0.22 3.23 5.12 -1.26 -4.38 116.66 119.62 2pkq n ARG 194 Ca 0.00 0.16 0.15 0.00 -1.93 0.00 0.00 57.85 56.23 2pkq n ARG 194 Cb 0.00 -1.30 0.58 0.00 -1.16 0.00 0.00 32.46 30.58 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 -0.47 0.00 0.00 5.56 3.08 -1.02 -2.23 114.38 119.30 2pkq h ARG 195 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2pkq h ARG 195 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.59 2pkq h ARG 195 CO -0.23 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.67 2pkq n ALA 196 N -1.97 2.59 -2.89 0.04 0.00 -0.87 -0.82 120.51 116.58 2pkq n ALA 196 Ca 0.02 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.93 2pkq n ALA 196 Cb 0.30 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.00 3.42 -0.72 0.00 1.81 -0.84 -1.75 118.95 118.88 2pkq s ARG 197 Ca 0.42 -0.27 -0.21 0.00 -1.72 0.00 0.00 55.73 53.96 2pkq s ARG 197 Cb 0.19 -3.12 -0.16 0.00 -0.45 0.00 0.00 34.95 31.41 2pkq s ARG 197 CO 0.33 0.71 1.90 0.00 -0.68 0.00 0.00 175.30 177.55 2pkq n ALA 198 N 1.27 0.25 -0.33 2.13 0.00 -1.26 -4.42 120.51 118.16 2pkq n ALA 198 Ca -0.14 -0.23 0.27 0.00 0.00 0.00 0.00 53.44 53.35 2pkq n ALA 198 Cb 0.53 -1.63 0.60 0.00 0.00 0.00 0.00 19.45 18.95 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 8.53 2.54 -0.00 0.00 0.00 -1.14 -1.31 119.26 127.88 2pkq h ALA 199 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pkq h ALA 199 Cb 0.93 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2pkq h ALA 199 CO 1.01 -0.94 -0.17 0.00 0.00 0.00 0.00 179.25 179.14 2pkq n ALA 200 N -2.57 2.76 -1.83 0.00 0.00 -1.26 -4.21 120.51 113.39 2pkq n ALA 200 Ca 0.26 -0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.56 2pkq n ALA 200 Cb 1.02 -1.35 0.08 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.50 1.39 -3.92 0.00 -0.00 -0.50 -4.61 117.00 107.86 2pkq n LEU 201 Ca 0.07 -2.37 -0.09 0.00 -0.00 0.00 0.00 56.01 53.61 2pkq n LEU 201 Cb 0.34 -0.21 -0.09 0.00 -0.00 0.00 0.00 43.42 43.46 2pkq n LEU 201 CO 0.30 0.67 -0.19 0.20 -0.00 0.00 0.00 177.39 178.37 2pkq s ASN 202 N -2.18 0.19 -0.28 1.45 0.01 -1.20 -5.03 114.94 107.91 2pkq s ASN 202 Ca 0.25 -0.62 -0.15 0.00 -0.71 0.00 0.00 52.86 51.63 2pkq s ASN 202 Cb 0.25 0.26 -0.03 0.00 0.41 0.00 0.00 41.25 42.14 2pkq s ASN 202 CO -0.05 -0.59 0.38 -0.63 -1.51 0.00 0.00 177.10 174.70 2pkq s ILE 203 N -3.17 5.16 -0.28 0.60 1.01 -1.24 -4.19 121.20 119.09 2pkq s ILE 203 Ca -0.00 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2pkq s ILE 203 Cb 0.02 -3.72 0.05 0.00 0.01 0.00 0.00 42.46 38.82 2pkq s ILE 203 CO -0.07 0.13 -0.05 -0.69 0.00 0.00 0.00 174.94 174.25 2pkq s VAL 204 N 2.09 2.61 0.01 2.92 1.01 0.20 -4.84 120.40 124.39 2pkq s VAL 204 Ca 0.15 -1.48 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 2pkq s VAL 204 Cb -0.16 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 2pkq s VAL 204 CO 0.10 -0.05 1.21 -2.84 0.00 0.00 0.00 175.10 173.52 2pkq s PRO 205 N 1.19 4.39 -0.15 2.72 0.02 -1.26 0.01 135.00 141.92 2pkq s PRO 205 Ca -0.07 1.74 -0.10 0.00 0.02 0.00 0.00 61.00 62.59 2pkq s PRO 205 Cb -0.20 -3.46 0.05 0.00 0.02 0.00 0.00 34.50 30.91 2pkq s PRO 205 CO -0.03 -0.36 0.37 0.95 -0.33 0.00 0.00 177.00 177.60 2pkq s THR 206 N 1.66 -0.02 1.00 0.99 -4.23 -0.53 -4.85 115.64 109.67 2pkq s THR 206 Ca 0.58 0.06 -0.17 0.00 -1.18 0.00 0.00 61.69 60.98 2pkq s THR 206 Cb -0.28 -0.54 -0.02 0.00 1.34 0.00 0.00 72.50 73.00 2pkq s THR 206 CO 0.26 0.03 -0.19 -1.54 -0.54 0.00 0.00 174.62 172.64 2pkq n SER 207 N 3.68 -3.23 -3.63 3.99 3.41 -1.26 -2.87 113.62 113.71 2pkq n SER 207 Ca -0.19 0.16 -0.05 0.00 -0.26 0.00 0.00 58.87 58.54 2pkq n SER 207 Cb 0.56 -0.97 -0.06 0.00 -0.26 0.00 0.00 64.21 63.47 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 -0.16 -0.47 6.66 -1.32 -1.26 -4.77 115.64 112.10 2pkq s THR 208 Ca 0.50 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.22 2pkq s THR 208 Cb -0.15 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 69.99 2pkq s THR 208 CO 0.71 0.00 1.38 1.23 -2.21 0.00 0.00 174.62 175.73 2pkq h GLY 209 N 6.92 0.00 -1.42 6.08 0.00 -1.96 -3.36 103.07 109.34 2pkq h GLY 209 Ca -0.27 0.00 0.43 0.00 0.00 0.00 0.00 47.33 47.49 2pkq h GLY 209 CO 0.16 0.00 1.00 0.00 0.00 0.00 0.00 176.54 177.70 2pkq n ALA 210 N -2.01 1.37 0.20 3.60 0.00 -1.26 0.39 120.51 122.80 2pkq n ALA 210 Ca 0.03 0.55 -0.11 0.00 0.00 0.00 0.00 53.44 53.91 2pkq n ALA 210 Cb 0.50 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 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 0.89 -0.57 0.28 0.00 0.00 -1.92 -3.26 119.26 114.68 2pkq h ALA 211 Ca 0.72 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 2pkq h ALA 211 Cb 2.76 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 20.76 2pkq h ALA 211 CO -0.10 -0.57 -0.22 0.87 0.00 0.00 0.00 179.25 179.23 2pkq h LYS 212 N -1.07 -0.49 0.00 0.00 1.57 -0.34 -2.61 116.57 113.63 2pkq h LYS 212 Ca -0.06 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2pkq h LYS 212 Cb 0.52 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2pkq h LYS 212 CO 0.10 -0.33 0.73 0.00 -0.57 0.00 0.00 179.45 179.38 2pkq h ALA 213 N 0.15 1.68 -0.88 3.86 0.00 -1.34 0.38 119.26 123.12 2pkq h ALA 213 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.04 2pkq h ALA 213 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 2pkq h ALA 213 CO -0.02 -0.68 0.47 0.28 0.00 0.00 0.00 179.25 179.31 2pkq h VAL 214 N 0.00 0.76 -0.53 0.00 2.07 -1.50 -0.62 116.25 116.42 2pkq h VAL 214 Ca 0.00 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.39 2pkq h VAL 214 Cb 1.46 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 2pkq h VAL 214 CO 0.00 0.12 0.02 0.77 0.02 0.00 0.00 177.57 178.50 2pkq h SER 215 N 0.68 -0.19 -1.72 0.57 4.64 -1.06 0.86 113.55 117.32 2pkq h SER 215 Ca 0.47 0.12 0.50 0.00 -0.47 0.00 0.00 61.79 62.42 2pkq h SER 215 Cb 0.64 0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 62.87 2pkq h SER 215 CO -0.35 -0.07 1.33 0.18 -0.87 0.00 0.00 176.83 177.05 2pkq n LEU 216 N -5.22 0.00 -0.03 5.97 7.99 -0.24 0.31 117.00 125.78 2pkq n LEU 216 Ca 0.07 0.91 -0.01 0.00 -0.01 0.00 0.00 56.01 56.96 2pkq n LEU 216 Cb 0.29 -0.43 -0.07 0.00 -0.11 0.00 0.00 43.42 43.10 2pkq n LEU 216 CO 0.15 -0.91 -0.70 1.33 -1.51 0.00 0.00 177.39 175.75 2pkq n VAL 217 N -3.70 0.34 -3.67 4.08 0.24 -0.41 -4.78 118.33 110.44 2pkq n VAL 217 Ca 0.39 -0.29 -0.27 0.00 -2.04 0.00 0.00 64.34 62.12 2pkq n VAL 217 Cb 1.85 -0.37 -0.10 0.00 -1.47 0.00 0.00 33.84 33.74 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 -2.11 2.53 -0.25 1.34 4.32 0.15 -4.76 117.00 118.22 2pkq n LEU 218 Ca -0.09 -5.12 0.03 0.00 -0.02 0.00 0.00 56.01 50.81 2pkq n LEU 218 Cb 0.56 -0.46 0.12 0.00 -1.62 0.00 0.00 43.42 42.02 2pkq n LEU 218 CO 0.18 1.87 0.77 1.55 -1.22 0.00 0.00 177.39 180.54 2pkq h PRO 219 N 5.03 0.05 -1.35 3.23 0.13 -1.43 -1.15 132.00 136.50 2pkq h PRO 219 Ca 0.17 -0.00 0.39 0.00 -0.87 0.00 0.00 66.00 65.69 2pkq h PRO 219 Cb 0.76 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.82 2pkq h PRO 219 CO 0.68 0.03 1.14 -0.56 -0.23 0.00 0.00 178.00 179.07 2pkq h GLN 220 N 0.05 0.00 0.00 0.86 -0.00 -1.93 0.88 115.11 114.97 2pkq h GLN 220 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 2pkq h GLN 220 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.11 2pkq h GLN 220 CO -0.70 0.00 -0.67 1.28 -0.00 0.00 0.00 178.83 178.75 2pkq n LEU 221 N -3.74 0.60 -1.94 0.06 4.32 -0.44 -4.98 117.00 110.89 2pkq n LEU 221 Ca 0.30 0.06 -0.27 0.00 -0.02 0.00 0.00 56.01 56.07 2pkq n LEU 221 Cb 1.56 -0.19 -0.05 0.00 -1.62 0.00 0.00 43.42 43.12 2pkq n LEU 221 CO 0.35 0.05 0.69 1.17 -1.22 0.00 0.00 177.39 178.43 2pkq n LYS 222 N -1.80 0.00 -1.92 3.23 4.81 0.30 -0.16 118.16 122.62 2pkq n LYS 222 Ca 0.04 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.41 2pkq n LYS 222 Cb 0.39 -0.66 -0.01 0.00 0.02 0.00 0.00 35.03 34.77 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 2.85 0.27 0.01 3.14 0.00 -1.26 -4.93 105.19 105.27 2pkq n GLY 223 Ca 0.21 -0.61 -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 -1.95 3.06 -2.39 1.61 5.02 0.77 -5.05 118.16 119.22 2pkq n LYS 224 Ca -0.08 -0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 56.02 2pkq n LYS 224 Cb 0.49 -1.07 0.08 0.00 -0.02 0.00 0.00 35.03 34.51 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 -2.04 0.00 0.00 -0.35 4.77 -1.26 -2.49 117.00 115.63 2pkq n LEU 225 Ca -0.04 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 2pkq n LEU 225 Cb 0.52 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2pkq n LEU 225 CO 0.06 -0.83 0.00 -3.20 -1.33 0.00 0.00 177.39 172.09 2pkq n ASN 226 N -2.75 0.00 0.00 -1.43 2.85 -1.23 -4.66 115.26 108.03 2pkq n ASN 226 Ca 0.14 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 2pkq n ASN 226 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 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 -1.06 -2.24 0.00 8.20 0.00 -1.26 -1.26 105.19 107.57 2pkq n GLY 227 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 1.20 0.00 -3.68 -0.61 -0.00 -1.12 -4.29 119.36 110.86 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 -0.37 -0.08 0.00 -0.00 0.00 0.00 39.64 39.19 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 -1.23 -0.16 -1.28 0.00 -1.14 -3.55 121.76 112.40 2pkq s ALA 229 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2pkq s ALA 229 Cb 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.81 2pkq s ALA 229 CO 0.00 -0.28 -0.11 -0.51 0.00 0.00 0.00 175.76 174.86 2pkq s LEU 230 N -0.59 1.82 -0.13 0.00 1.43 -0.03 -1.45 118.68 119.72 2pkq s LEU 230 Ca -0.07 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.17 2pkq s LEU 230 Cb -0.03 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 2pkq s LEU 230 CO 0.04 -0.10 0.79 -0.13 0.23 0.00 0.00 176.35 177.18 2pkq s ARG 231 N 1.49 4.35 0.00 1.70 1.81 0.10 0.20 118.95 128.61 2pkq s ARG 231 Ca 0.03 0.98 0.05 0.00 -1.72 0.00 0.00 55.73 55.06 2pkq s ARG 231 Cb -0.14 -3.53 -0.01 0.00 -0.45 0.00 0.00 34.95 30.81 2pkq s ARG 231 CO -0.09 -0.19 -0.15 0.14 -0.68 0.00 0.00 175.30 174.32 2pkq s VAL 232 N 1.67 1.21 0.00 3.52 -7.23 -0.70 0.60 120.40 119.47 2pkq s VAL 232 Ca 0.38 -0.76 -0.09 0.00 -1.81 0.00 0.00 61.98 59.71 2pkq s VAL 232 Cb -0.17 -1.03 -0.10 0.00 0.56 0.00 0.00 36.38 35.64 2pkq s VAL 232 CO 0.15 0.26 0.78 -2.65 -0.31 0.00 0.00 175.10 173.32 2pkq n PRO 233 N 2.47 0.00 -3.38 4.82 -0.02 -1.26 -3.40 135.00 134.23 2pkq n PRO 233 Ca -0.15 -0.30 -0.14 0.00 -2.02 0.00 0.00 63.50 60.90 2pkq n PRO 233 Cb 0.55 -1.45 -0.09 0.00 -0.02 0.00 0.00 33.50 32.49 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 4.01 -0.49 0.53 3.45 -1.32 -1.26 -5.01 115.64 115.54 2pkq s THR 234 Ca 0.19 -0.31 0.09 0.00 -1.21 0.00 0.00 61.69 60.45 2pkq s THR 234 Cb 0.04 -0.91 0.09 0.00 -1.51 0.00 0.00 72.50 70.20 2pkq s THR 234 CO 0.10 -0.32 1.20 1.55 -2.21 0.00 0.00 174.62 174.94 2pkq h PRO 235 N 8.23 0.00 -1.36 7.08 0.13 -1.86 -3.10 132.00 141.11 2pkq h PRO 235 Ca -0.14 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.22 2pkq h PRO 235 Cb 1.11 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.02 2pkq h PRO 235 CO 0.30 0.00 0.81 1.21 -0.23 0.00 0.00 178.00 180.09 2pkq s ASN 236 N -3.28 -0.14 0.00 1.44 2.47 -1.26 -4.79 114.94 109.37 2pkq s ASN 236 Ca -0.01 0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.35 2pkq s ASN 236 Cb 0.02 0.13 0.00 0.00 -1.45 0.00 0.00 41.25 39.96 2pkq s ASN 236 CO 0.08 -0.19 0.00 0.52 -3.72 0.00 0.00 177.10 173.79 2pkq n VAL 237 N 0.23 -1.68 -4.46 -5.21 0.31 -1.26 -4.86 118.33 101.40 2pkq n VAL 237 Ca -0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.08 2pkq n VAL 237 Cb 0.58 -1.78 -0.09 0.00 -0.91 0.00 0.00 33.84 31.64 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 2.42 0.01 4.52 0.01 -0.22 -4.35 113.70 116.09 2pkq s SER 238 Ca 0.00 -1.59 0.02 0.00 1.31 0.00 0.00 55.95 55.70 2pkq s SER 238 Cb 0.00 0.36 -0.01 0.00 0.21 0.00 0.00 66.02 66.58 2pkq s SER 238 CO 0.00 -0.85 -0.07 0.54 0.41 0.00 0.00 173.24 173.27 2pkq s VAL 239 N -3.32 0.55 -0.02 3.43 0.11 -0.66 -1.78 120.40 118.71 2pkq s VAL 239 Ca 0.29 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 2pkq s VAL 239 Cb 0.04 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 2pkq s VAL 239 CO 0.15 0.03 -0.01 0.68 -3.33 0.00 0.00 175.10 172.62 2pkq s VAL 240 N -0.43 4.07 -0.67 2.04 -7.23 -0.70 -1.31 120.40 116.19 2pkq s VAL 240 Ca 0.00 -0.56 0.05 0.00 -1.81 0.00 0.00 61.98 59.66 2pkq s VAL 240 Cb -0.04 -2.78 0.16 0.00 0.56 0.00 0.00 36.38 34.28 2pkq s VAL 240 CO -0.00 0.43 0.45 -0.62 -0.31 0.00 0.00 175.10 175.05 2pkq s ASP 241 N -1.38 4.70 0.06 4.85 2.15 0.18 -1.96 116.67 125.29 2pkq s ASP 241 Ca 0.18 -3.71 -0.29 0.00 0.43 0.00 0.00 52.55 49.15 2pkq s ASP 241 Cb -0.11 -1.62 -0.05 0.00 -0.30 0.00 0.00 42.92 40.84 2pkq s ASP 241 CO 0.08 -0.11 0.94 -0.22 -0.17 0.00 0.00 175.17 175.69 2pkq s LEU 242 N -1.25 4.45 -0.51 -1.34 2.96 -0.75 -2.21 118.68 120.03 2pkq s LEU 242 Ca 0.24 1.70 0.05 0.00 -0.22 0.00 0.00 54.13 55.90 2pkq s LEU 242 Cb -0.08 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.27 2pkq s LEU 242 CO -0.14 -0.13 0.46 0.52 -1.32 0.00 0.00 176.35 175.75 2pkq n VAL 243 N 3.19 0.03 -3.84 1.68 0.31 -0.17 -1.43 118.33 118.11 2pkq n VAL 243 Ca 0.03 -4.12 -0.36 0.00 -0.01 0.00 0.00 64.34 59.89 2pkq n VAL 243 Cb 0.50 -1.90 -0.11 0.00 -0.91 0.00 0.00 33.84 31.42 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 -0.87 4.65 -0.36 2.52 -7.23 -1.03 -2.68 120.40 115.41 2pkq s VAL 244 Ca 0.32 -0.07 -0.28 0.00 -1.81 0.00 0.00 61.98 60.14 2pkq s VAL 244 Cb 0.06 -3.15 0.02 0.00 0.56 0.00 0.00 36.38 33.86 2pkq s VAL 244 CO -0.15 0.37 1.06 0.54 -0.31 0.00 0.00 175.10 176.61 2pkq s ASN 245 N 1.15 6.83 1.09 4.85 2.20 -1.03 -2.21 114.94 127.83 2pkq s ASN 245 Ca 0.05 0.86 -0.14 0.00 -0.94 0.00 0.00 52.86 52.69 2pkq s ASN 245 Cb -0.14 -2.53 0.19 0.00 -2.00 0.00 0.00 41.25 36.77 2pkq s ASN 245 CO 0.04 -0.94 0.72 0.00 -2.94 0.00 0.00 177.10 173.97 2pkq n ILE 246 N 6.07 0.00 -0.11 0.54 0.13 0.79 -3.42 119.36 123.35 2pkq n ILE 246 Ca 0.11 -0.30 -0.21 0.00 -1.10 0.00 0.00 62.75 61.25 2pkq n ILE 246 Cb 0.48 -0.86 -0.12 0.00 -0.84 0.00 0.00 39.64 38.30 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 -3.76 0.65 -0.57 9.51 2.13 0.96 -4.64 120.64 124.93 2pkq n GLU 247 Ca 0.04 0.20 -0.30 0.00 0.66 0.00 0.00 57.16 57.77 2pkq n GLU 247 Cb 0.56 -1.55 0.22 0.00 0.27 0.00 0.00 31.44 30.94 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 -3.52 -1.88 0.00 5.31 4.81 -0.73 -4.92 118.16 117.23 2pkq n LYS 248 Ca -0.45 -0.51 0.00 0.00 -0.87 0.00 0.00 58.31 56.47 2pkq n LYS 248 Cb 0.97 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.95 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 -4.68 0.00 0.00 3.15 3.14 -1.26 -4.71 118.33 113.97 2pkq n VAL 248 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 2pkq n VAL 248 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 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 -0.03 -0.63 3.39 7.55 0.00 -1.24 -4.66 105.19 109.56 2pkq n GLY 249 Ca 0.00 0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.72 1.61 0.24 -1.25 -4.78 118.33 111.43 2pkq n VAL 250 Ca 0.00 -0.37 -0.22 0.00 -2.04 0.00 0.00 64.34 61.72 2pkq n VAL 250 Cb 0.00 -0.82 0.07 0.00 -1.47 0.00 0.00 33.84 31.62 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 -2.34 2.34 0.00 3.34 2.01 -1.26 -4.80 115.64 114.92 2pkq s THR 251 Ca 0.63 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.91 2pkq s THR 251 Cb -0.20 -2.61 0.00 0.00 0.01 0.00 0.00 72.50 69.70 2pkq s THR 251 CO 0.66 0.00 0.08 0.00 -0.69 0.00 0.00 174.62 174.66 2pkq n ALA 252 N -2.52 0.00 0.11 7.40 0.00 -1.26 -3.06 120.51 121.19 2pkq n ALA 252 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2pkq n ALA 252 Cb 0.60 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 -0.09 0.01 0.02 0.00 -0.58 -1.26 0.93 120.64 119.68 2pkq n GLU 253 Ca 0.00 0.31 -0.20 0.00 -0.42 0.00 0.00 57.16 56.86 2pkq n GLU 253 Cb 0.00 -2.02 -0.14 0.00 -0.57 0.00 0.00 31.44 28.71 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 0.41 -0.33 1.62 2.03 -1.98 -2.84 116.42 115.33 2pkq h ASP 254 Ca 0.00 -0.80 0.07 0.00 -0.73 0.00 0.00 57.03 55.58 2pkq h ASP 254 Cb 1.24 -0.13 -0.08 0.00 -0.83 0.00 0.00 39.33 39.53 2pkq h ASP 254 CO 0.00 1.70 -0.26 0.58 -1.03 0.00 0.00 179.24 180.23 2pkq h VAL 255 N 0.07 0.34 -0.23 4.15 2.07 0.63 -0.47 116.25 122.81 2pkq h VAL 255 Ca -0.37 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.18 2pkq h VAL 255 Cb 2.05 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 2pkq h VAL 255 CO 0.12 0.00 -0.45 0.78 0.02 0.00 0.00 177.57 178.04 2pkq h ASN 256 N -0.22 -1.47 -1.47 0.57 4.21 -1.63 -0.17 115.58 115.41 2pkq h ASN 256 Ca 0.16 0.18 0.49 0.00 1.21 0.00 0.00 56.30 58.35 2pkq h ASN 256 Cb 0.48 0.59 -0.13 0.00 -1.12 0.00 0.00 38.32 38.14 2pkq h ASN 256 CO -0.46 -0.36 0.96 0.59 -1.29 0.00 0.00 177.43 176.87 2pkq n ASN 257 N -4.88 0.18 0.01 5.81 3.02 -0.25 0.14 115.26 119.29 2pkq n ASN 257 Ca -0.04 1.34 -0.11 0.00 -0.03 0.00 0.00 54.58 55.74 2pkq n ASN 257 Cb 0.29 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.10 0.54 5.41 0.00 -0.28 0.42 119.26 126.97 2pkq h ALA 258 Ca 0.89 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.77 2pkq h ALA 258 Cb 2.98 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.73 2pkq h ALA 258 CO -0.41 -0.40 -0.32 0.74 0.00 0.00 0.00 179.25 178.87 2pkq h PHE 259 N 0.10 -0.84 -0.96 0.00 0.04 0.13 0.36 116.94 115.78 2pkq h PHE 259 Ca 0.03 -0.01 0.36 0.00 2.80 0.00 0.00 57.97 61.15 2pkq h PHE 259 Cb 0.00 0.29 -0.17 0.00 2.20 0.00 0.00 35.95 38.27 2pkq h PHE 259 CO -0.07 -0.48 0.38 0.54 -0.60 0.00 0.00 178.31 178.08 2pkq n ARG 260 N -4.34 -0.06 0.15 1.51 1.74 -0.46 0.31 116.66 115.51 2pkq n ARG 260 Ca -0.10 1.35 -0.10 0.00 -0.77 0.00 0.00 57.85 58.23 2pkq n ARG 260 Cb 0.33 -2.34 -0.06 0.00 -1.02 0.00 0.00 32.46 29.36 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 -0.44 0.00 5.56 3.64 0.40 -2.80 116.57 122.93 2pkq h LYS 261 Ca 0.75 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.16 2pkq h LYS 261 Cb 1.88 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 2pkq h LYS 261 CO -0.78 -0.15 0.00 0.00 -2.27 0.00 0.00 179.45 176.25 2pkq n ALA 262 N -2.64 1.57 -0.06 5.00 0.00 0.12 -2.46 120.51 122.05 2pkq n ALA 262 Ca -0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 2pkq n ALA 262 Cb 0.25 -1.23 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 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 2.39 -0.01 -0.13 0.00 0.00 0.49 -0.16 119.26 121.84 2pkq h ALA 263 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2pkq h ALA 263 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2pkq h ALA 263 CO 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2pkq n ALA 264 N -2.58 2.54 -2.00 0.00 0.00 -1.07 -1.75 120.51 115.64 2pkq n ALA 264 Ca -0.09 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2pkq n ALA 264 Cb 0.43 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.02 0.40 0.15 0.00 0.00 -1.03 -4.74 105.19 101.01 2pkq n GLY 265 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.26 132.00 128.03 2pkq h PRO 266 Ca 0.00 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.82 2pkq h PRO 266 Cb 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 30.94 2pkq h PRO 266 CO 0.00 0.51 0.23 1.28 -0.21 0.00 0.00 178.00 179.81 2pkq n LEU 267 N -3.47 5.30 -4.55 2.35 4.77 -0.08 -4.94 117.00 116.38 2pkq n LEU 267 Ca 0.00 -3.57 -0.32 0.00 -0.03 0.00 0.00 56.01 52.09 2pkq n LEU 267 Cb 0.63 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2pkq n LEU 267 CO 0.40 1.07 1.52 -0.75 -1.33 0.00 0.00 177.39 178.30 2pkq s LYS 268 N -3.19 2.46 0.00 3.23 2.20 -0.72 -0.59 119.74 123.13 2pkq s LYS 268 Ca 0.50 0.35 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 2pkq s LYS 268 Cb 0.43 -4.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.06 2pkq s LYS 268 CO 0.06 -3.17 0.00 0.41 -0.36 0.00 0.00 175.35 172.29 2pkq n GLY 269 N 6.25 1.46 0.68 5.54 0.00 -1.26 -4.96 105.19 112.89 2pkq n GLY 269 Ca 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 1.23 -3.02 1.61 0.31 0.24 -4.31 118.33 114.39 2pkq n VAL 270 Ca 0.00 0.24 -0.19 0.00 -0.01 0.00 0.00 64.34 64.38 2pkq n VAL 270 Cb 0.00 -1.85 0.01 0.00 -0.91 0.00 0.00 33.84 31.10 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 -7.24 3.64 -0.29 7.52 2.96 -0.25 -1.20 118.68 123.82 2pkq s LEU 271 Ca -0.12 -0.21 -0.32 0.00 -0.22 0.00 0.00 54.13 53.27 2pkq s LEU 271 Cb 0.02 -2.78 0.18 0.00 0.50 0.00 0.00 46.19 44.12 2pkq s LEU 271 CO 0.17 -0.77 1.37 -0.62 -1.32 0.00 0.00 176.35 175.18 2pkq s ASP 272 N -4.32 -0.02 -0.10 3.68 2.15 -1.10 -4.70 116.67 112.26 2pkq s ASP 272 Ca 0.53 0.02 0.01 0.00 0.43 0.00 0.00 52.55 53.53 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 0.34 -0.02 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.52 2pkq s VAL 273 N -1.30 1.20 -0.33 1.11 1.01 -1.26 -1.46 120.40 119.36 2pkq s VAL 273 Ca 0.10 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 2pkq s VAL 273 Cb -0.01 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.24 2pkq s VAL 273 CO -0.07 0.39 0.15 0.00 0.00 0.00 0.00 175.10 175.57 2pkq h ASP 275 N 8.34 0.00 -3.04 0.00 3.32 -1.97 -3.03 116.42 120.04 2pkq h ASP 275 Ca -0.29 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.20 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 0.63 0.52 0.79 -0.63 -1.72 0.00 0.00 179.24 178.83 2pkq s ILE 276 N -2.95 4.47 -0.43 0.35 1.01 -1.26 -4.62 121.20 117.78 2pkq s ILE 276 Ca 0.03 1.78 -0.27 0.00 0.00 0.00 0.00 60.65 62.19 2pkq s ILE 276 Cb 0.08 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 2pkq s ILE 276 CO 0.75 -0.11 2.25 -2.16 0.00 0.00 0.00 174.94 175.67 2pkq s PRO 277 N 2.97 2.51 0.00 2.79 0.04 -1.26 -4.94 135.00 137.11 2pkq s PRO 277 Ca 0.51 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2pkq s PRO 277 Cb -0.20 -4.48 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2pkq s PRO 277 CO 0.14 -2.82 0.00 1.28 0.04 0.00 0.00 177.00 175.64 2pkq n LEU 278 N 14.06 0.00 -4.01 -3.56 4.77 -1.26 -5.17 117.00 121.83 2pkq n LEU 278 Ca 0.32 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.22 2pkq n LEU 278 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2pkq n LEU 278 CO 0.70 0.00 -0.24 0.68 -1.33 0.00 0.00 177.39 177.20 2pkq s VAL 279 N 0.12 0.16 0.02 4.08 -7.23 -1.26 -5.05 120.40 111.24 2pkq s VAL 279 Ca 0.00 -1.59 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 2pkq s VAL 279 Cb 0.00 -1.57 -0.01 0.00 0.56 0.00 0.00 36.38 35.36 2pkq s VAL 279 CO 0.00 -0.75 0.40 -1.54 -0.31 0.00 0.00 175.10 172.90 2pkq n SER 280 N -0.00 -0.13 0.32 4.85 3.41 -1.26 0.46 113.62 121.26 2pkq n SER 280 Ca -0.12 0.43 0.04 0.00 -0.26 0.00 0.00 58.87 58.96 2pkq n SER 280 Cb 0.62 -0.13 0.24 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 0.62 116.25 113.66 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 0.05 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2pkq h VAL 281 CO -0.12 0.00 -0.05 0.47 0.02 0.00 0.00 177.57 177.89 2pkq n ASP 282 N -2.54 0.41 -0.74 0.57 8.00 0.17 -3.41 116.55 119.01 2pkq n ASP 282 Ca -0.01 -0.76 0.08 0.00 0.71 0.00 0.00 54.79 54.81 2pkq n ASP 282 Cb 0.79 -0.07 0.13 0.00 -0.02 0.00 0.00 41.12 41.95 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 -0.86 0.28 -1.57 1.24 3.72 0.22 -5.00 117.46 115.48 2pkq n PHE 283 Ca 0.18 -0.21 -0.39 0.00 -0.05 0.00 0.00 57.45 56.98 2pkq n PHE 283 Cb 0.24 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.81 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 0.89 0.87 -4.04 -1.08 5.12 -1.22 -2.28 116.66 114.92 2pkq n ARG 284 Ca 0.12 0.33 -0.27 0.00 -1.93 0.00 0.00 57.85 56.10 2pkq n ARG 284 Cb 0.43 -2.00 -0.03 0.00 -1.16 0.00 0.00 32.46 29.70 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 6.09 0.00 0.00 0.15 -0.97 -4.97 113.70 109.75 2pkq s SER 286 Ca 0.08 -0.35 0.11 0.00 0.70 0.00 0.00 55.95 56.49 2pkq s SER 286 Cb -0.04 -2.15 0.49 0.00 -1.71 0.00 0.00 66.02 62.60 2pkq s SER 286 CO 0.91 -0.25 1.34 0.47 1.20 0.00 0.00 173.24 176.90 2pkq n ASP 287 N 5.18 0.00 -4.73 5.45 9.92 -1.26 -3.99 116.55 127.12 2pkq n ASP 287 Ca -0.12 0.43 -0.40 0.00 -0.53 0.00 0.00 54.79 54.17 2pkq n ASP 287 Cb 0.50 -0.46 -0.05 0.00 -0.64 0.00 0.00 41.12 40.47 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 -2.92 3.65 -0.44 1.24 0.40 -1.26 -4.79 117.98 113.86 2pkq s PHE 288 Ca 0.06 1.36 0.21 0.00 -0.60 0.00 0.00 56.93 57.96 2pkq s PHE 288 Cb 0.07 -2.82 0.98 0.00 0.51 0.00 0.00 43.02 41.76 2pkq s PHE 288 CO 0.20 0.16 1.65 0.43 0.70 0.00 0.00 175.22 178.36 2pkq n SER 289 N 3.38 0.56 -3.64 1.36 7.64 -0.34 -4.68 113.62 117.90 2pkq n SER 289 Ca -0.01 0.68 -0.08 0.00 1.01 0.00 0.00 58.87 60.47 2pkq n SER 289 Cb 0.51 -0.79 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 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 -4.05 -0.44 -0.06 6.43 0.15 -0.86 -3.96 113.70 110.92 2pkq s SER 290 Ca 0.02 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.50 2pkq s SER 290 Cb 0.08 0.88 0.02 0.00 -1.71 0.00 0.00 66.02 65.29 2pkq s SER 290 CO 0.30 -0.14 -0.04 -0.89 1.20 0.00 0.00 173.24 173.67 2pkq s THR 291 N 0.35 0.58 -0.05 6.45 2.01 -0.05 -2.72 115.64 122.21 2pkq s THR 291 Ca 0.02 -0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.78 2pkq s THR 291 Cb -0.05 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 2pkq s THR 291 CO -0.08 0.26 0.41 -0.63 -0.69 0.00 0.00 174.62 173.89 2pkq s ILE 292 N 1.33 5.11 -0.80 1.82 1.09 -0.54 0.27 121.20 129.48 2pkq s ILE 292 Ca -0.04 0.82 -0.23 0.00 -1.10 0.00 0.00 60.65 60.10 2pkq s ILE 292 Cb -0.14 -3.72 0.07 0.00 -1.06 0.00 0.00 42.46 37.61 2pkq s ILE 292 CO -0.02 0.49 1.16 -0.62 -0.10 0.00 0.00 174.94 175.85 2pkq s ASP 293 N -0.46 6.33 0.05 3.58 -1.08 -0.71 -2.24 116.67 122.14 2pkq s ASP 293 Ca 0.23 -1.18 -0.10 0.00 -0.52 0.00 0.00 52.55 50.98 2pkq s ASP 293 Cb -0.16 -2.47 -0.02 0.00 -1.46 0.00 0.00 42.92 38.81 2pkq s ASP 293 CO 0.11 -1.46 1.17 0.28 0.52 0.00 0.00 175.17 175.79 2pkq h SER 294 N 9.56 -0.70 0.00 -0.34 0.02 -1.85 0.22 113.55 120.46 2pkq h SER 294 Ca -0.10 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2pkq h SER 294 Cb 1.04 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2pkq h SER 294 CO 1.23 -0.08 0.17 -1.54 -1.14 0.00 0.00 176.83 175.48 2pkq n SER 295 N -3.72 0.00 -0.06 3.07 3.41 -1.26 -1.38 113.62 113.68 2pkq n SER 295 Ca 0.01 0.31 -0.06 0.00 -0.26 0.00 0.00 58.87 58.86 2pkq n SER 295 Cb 0.08 -0.31 -0.15 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.30 0.31 -4.67 1.04 4.77 0.75 -4.95 117.00 112.95 2pkq n LEU 296 Ca 0.00 0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.74 2pkq n LEU 296 Cb 0.17 0.32 0.05 0.00 -2.33 0.00 0.00 43.42 41.63 2pkq n LEU 296 CO 0.00 0.38 0.74 0.41 -1.33 0.00 0.00 177.39 177.59 2pkq n THR 297 N -2.79 3.84 -3.44 -5.08 -1.04 -0.48 -4.85 114.28 100.45 2pkq n THR 297 Ca -0.23 -0.50 0.01 0.00 -2.04 0.00 0.00 64.05 61.29 2pkq n THR 297 Cb 1.04 -1.36 -0.05 0.00 -1.82 0.00 0.00 70.33 68.14 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 -2.83 0.26 0.06 -2.82 0.23 -0.75 -4.93 119.30 108.51 2pkq s MET 298 Ca 0.75 0.58 -0.22 0.00 -1.03 0.00 0.00 55.69 55.77 2pkq s MET 298 Cb -0.42 0.28 -0.06 0.00 -1.53 0.00 0.00 34.83 33.09 2pkq s MET 298 CO 0.47 -0.08 0.64 0.08 -2.03 0.00 0.00 175.02 174.11 2pkq s VAL 299 N 2.06 4.72 0.00 5.16 1.01 -1.26 -2.37 120.40 129.72 2pkq s VAL 299 Ca -0.04 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.32 2pkq s VAL 299 Cb -0.04 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2pkq s VAL 299 CO -0.16 0.48 0.00 0.80 0.00 0.00 0.00 175.10 176.22 2pkq n MET 300 N 2.16 0.00 -1.57 2.72 1.56 0.10 -4.78 117.12 117.32 2pkq n MET 300 Ca -0.07 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.02 2pkq n MET 300 Cb 0.50 -0.04 0.03 0.00 2.15 0.00 0.00 33.22 35.87 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 2.53 5.25 4.70 -5.12 0.00 -1.26 -4.87 105.19 106.41 2pkq n GLY 301 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.28 0.84 0.11 -0.02 0.00 -1.26 -4.31 105.19 100.27 2pkq n GLY 302 Ca 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 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 1.68 1.21 -4.59 1.61 5.75 -1.26 -3.72 116.55 117.23 2pkq n ASP 303 Ca 0.00 0.14 -0.43 0.00 -0.01 0.00 0.00 54.79 54.49 2pkq n ASP 303 Cb 0.00 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 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 -2.54 3.71 0.02 0.11 1.75 -1.26 0.28 119.30 121.36 2pkq s MET 304 Ca -0.17 0.45 -0.00 0.00 -1.25 0.00 0.00 55.69 54.72 2pkq s MET 304 Cb 0.07 -3.87 -0.04 0.00 2.84 0.00 0.00 34.83 33.83 2pkq s MET 304 CO 0.76 -1.16 0.12 0.08 -0.65 0.00 0.00 175.02 174.17 2pkq s VAL 305 N 3.86 4.93 -0.06 10.11 1.01 -0.94 0.03 120.40 139.34 2pkq s VAL 305 Ca 0.41 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2pkq s VAL 305 Cb -0.10 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.99 2pkq s VAL 305 CO 0.25 0.27 -0.06 -0.75 0.00 0.00 0.00 175.10 174.82 2pkq s LYS 306 N -2.01 1.02 0.18 2.72 2.20 -1.00 -2.46 119.74 120.40 2pkq s LYS 306 Ca 0.27 -0.14 0.07 0.00 -0.36 0.00 0.00 55.97 55.80 2pkq s LYS 306 Cb -0.12 -1.03 -0.05 0.00 -1.51 0.00 0.00 37.83 35.12 2pkq s LYS 306 CO 0.18 -0.11 -0.14 0.08 -0.36 0.00 0.00 175.35 175.01 2pkq s VAL 307 N 1.09 1.58 -0.04 4.02 1.01 -0.51 -1.82 120.40 125.74 2pkq s VAL 307 Ca -0.08 -2.12 -0.00 0.00 0.00 0.00 0.00 61.98 59.78 2pkq s VAL 307 Cb -0.14 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.32 2pkq s VAL 307 CO -0.01 -0.60 0.01 -0.69 0.00 0.00 0.00 175.10 173.80 2pkq s VAL 308 N -2.94 0.20 0.13 2.92 1.01 -1.26 -1.81 120.40 118.65 2pkq s VAL 308 Ca 0.20 0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.39 2pkq s VAL 308 Cb -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 2pkq s VAL 308 CO 0.05 0.17 -0.22 0.00 0.00 0.00 0.00 175.10 175.11 2pkq s ALA 309 N 1.32 2.03 -0.11 5.51 0.00 -0.83 -1.74 121.76 127.95 2pkq s ALA 309 Ca -0.05 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.51 2pkq s ALA 309 Cb -0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2pkq s ALA 309 CO -0.02 0.37 -0.07 -1.58 0.00 0.00 0.00 175.76 174.46 2pkq s TRP 310 N -1.40 2.95 -0.17 0.00 0.52 0.75 -1.71 118.94 119.87 2pkq s TRP 310 Ca 0.11 -0.22 -0.11 0.00 0.02 0.00 0.00 56.10 55.90 2pkq s TRP 310 Cb -0.09 -1.83 0.05 0.00 -1.15 0.00 0.00 33.47 30.45 2pkq s TRP 310 CO 0.06 0.09 0.42 1.52 0.02 0.00 0.00 176.95 179.06 2pkq s TYR 311 N -0.15 -0.55 -0.44 -1.98 1.13 -0.73 -0.87 117.35 113.75 2pkq s TYR 311 Ca 0.02 1.23 -0.27 0.00 -1.41 0.00 0.00 57.07 56.64 2pkq s TYR 311 Cb -0.13 0.23 0.03 0.00 -1.10 0.00 0.00 41.96 40.98 2pkq s TYR 311 CO 0.03 -0.30 1.03 0.34 -2.51 0.00 0.00 175.55 174.14 2pkq s ASP 312 N 0.96 6.62 0.44 -0.18 -1.08 -1.26 -1.05 116.67 121.11 2pkq s ASP 312 Ca -0.06 0.41 0.15 0.00 -0.52 0.00 0.00 52.55 52.53 2pkq s ASP 312 Cb -0.06 -2.50 0.98 0.00 -1.46 0.00 0.00 42.92 39.88 2pkq s ASP 312 CO -0.08 -1.10 1.97 -0.55 0.52 0.00 0.00 175.17 175.93 2pkq h ASN 313 N 8.98 0.00 0.00 -0.34 -1.07 -1.92 -1.74 115.58 119.48 2pkq h ASN 313 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.14 2pkq h ASN 313 Cb 1.07 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.32 2pkq h ASN 313 CO 1.06 0.21 0.00 -0.62 0.07 0.00 0.00 177.43 178.16 2pkq n GLU 314 N -4.23 0.00 0.19 4.14 1.02 -1.26 -4.06 120.64 116.44 2pkq n GLU 314 Ca -0.02 0.42 -0.12 0.00 -0.02 0.00 0.00 57.16 57.42 2pkq n GLU 314 Cb 0.27 -0.92 -0.06 0.00 -0.02 0.00 0.00 31.44 30.71 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 -0.91 -0.53 -0.32 2.91 -1.94 -2.11 115.95 113.04 2pkq h TRP 315 Ca 0.00 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.07 2pkq h TRP 315 Cb 0.00 0.36 -0.07 0.00 -0.51 0.00 0.00 29.16 28.94 2pkq h TRP 315 CO 0.00 -0.44 -0.33 0.78 -1.03 0.00 0.00 178.44 177.42 2pkq h GLY 316 N -0.66 -1.64 -0.01 2.65 0.00 -1.44 0.30 103.07 102.27 2pkq h GLY 316 Ca -0.04 0.94 0.08 0.00 0.00 0.00 0.00 47.33 48.31 2pkq h GLY 316 CO -0.04 -0.42 -0.25 -1.82 0.00 0.00 0.00 176.54 174.00 2pkq h TYR 317 N -0.03 -0.67 -0.89 5.60 3.20 -1.63 0.23 116.97 122.78 2pkq h TYR 317 Ca 0.08 0.05 0.17 0.00 3.14 0.00 0.00 58.73 62.17 2pkq h TYR 317 Cb 0.24 0.35 -0.07 0.00 1.54 0.00 0.00 36.73 38.79 2pkq h TYR 317 CO -0.95 -0.33 0.58 0.77 -1.64 0.00 0.00 178.16 176.59 2pkq h SER 318 N -0.21 0.56 -0.40 -2.11 0.02 -0.48 0.34 113.55 111.28 2pkq h SER 318 Ca 0.17 0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 61.02 2pkq h SER 318 Cb 0.48 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2pkq h SER 318 CO -0.47 0.26 -0.30 1.56 -1.14 0.00 0.00 176.83 176.73 2pkq h GLN 319 N 0.58 0.93 -0.34 3.45 1.08 0.27 -2.30 115.11 118.78 2pkq h GLN 319 Ca 0.46 -0.44 -0.06 0.00 -1.45 0.00 0.00 58.65 57.16 2pkq h GLN 319 Cb 0.89 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 2pkq h GLN 319 CO -0.20 1.10 -0.02 0.00 -0.95 0.00 0.00 178.83 178.76 2pkq h ARG 320 N 0.78 0.61 -0.34 1.46 2.47 0.66 -2.06 114.38 117.97 2pkq h ARG 320 Ca 0.08 -0.20 0.10 0.00 -1.26 0.00 0.00 59.98 58.70 2pkq h ARG 320 Cb 0.88 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 2pkq h ARG 320 CO 0.08 0.75 0.38 0.28 0.56 0.00 0.00 179.97 182.01 2pkq h VAL 321 N 0.41 0.39 0.00 2.04 2.07 -0.30 0.84 116.25 121.71 2pkq h VAL 321 Ca 0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 2pkq h VAL 321 Cb 0.48 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2pkq h VAL 321 CO 0.02 0.00 -0.93 0.58 0.02 0.00 0.00 177.57 177.26 2pkq h VAL 322 N 0.00 0.15 0.16 2.57 2.07 -0.81 -2.77 116.25 117.63 2pkq h VAL 322 Ca 0.16 -1.27 -0.25 0.00 0.82 0.00 0.00 66.70 66.16 2pkq h VAL 322 Cb 0.91 1.73 0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2pkq h VAL 322 CO -0.00 0.09 -1.07 0.44 0.02 0.00 0.00 177.57 177.05 2pkq h ASP 323 N 0.00 0.66 0.64 0.57 5.19 0.96 -0.69 116.42 123.75 2pkq h ASP 323 Ca -0.03 -0.91 -0.02 0.00 -0.62 0.00 0.00 57.03 55.45 2pkq h ASP 323 Cb 1.14 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.44 2pkq h ASP 323 CO 0.01 1.51 -0.09 0.25 -3.12 0.00 0.00 179.24 177.80 2pkq h LEU 324 N -0.09 0.00 0.00 1.55 5.85 0.07 0.28 115.31 122.97 2pkq h LEU 324 Ca -0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2pkq h LEU 324 Cb 1.82 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.85 2pkq h LEU 324 CO 0.20 0.09 -1.15 0.00 -0.34 0.00 0.00 178.44 177.24 2pkq n ALA 325 N -2.18 2.54 0.09 1.25 0.00 -1.04 -3.31 120.51 117.85 2pkq n ALA 325 Ca -0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.07 2pkq n ALA 325 Cb 0.28 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 0.16 0.31 0.00 5.19 0.57 -3.26 116.42 119.38 2pkq h ASP 326 Ca -0.01 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.25 2pkq h ASP 326 Cb 1.02 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.49 2pkq h ASP 326 CO 0.00 0.97 -0.15 0.25 -3.12 0.00 0.00 179.24 177.20 2pkq h LEU 327 N 0.06 -0.35 -0.60 1.55 5.85 -0.58 -2.60 115.31 118.64 2pkq h LEU 327 Ca -0.04 0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.87 2pkq h LEU 327 Cb 1.56 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 42.56 2pkq h LEU 327 CO 0.13 -0.21 0.03 0.52 -0.34 0.00 0.00 178.44 178.57 2pkq n VAL 328 N -3.35 -0.25 0.08 1.05 0.31 -1.21 0.18 118.33 115.14 2pkq n VAL 328 Ca -0.05 1.32 -0.06 0.00 -0.01 0.00 0.00 64.34 65.54 2pkq n VAL 328 Cb 0.16 -1.94 0.10 0.00 -0.91 0.00 0.00 33.84 31.25 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 1.21 0.80 0.00 3.52 0.00 -1.59 -2.99 119.26 120.20 2pkq h ALA 329 Ca 0.37 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2pkq h ALA 329 Cb 0.79 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2pkq h ALA 329 CO -0.56 0.75 0.00 0.09 0.00 0.00 0.00 179.25 179.52 2pkq n ASN 330 N -3.86 0.70 -1.98 0.00 5.03 0.48 -3.09 115.26 112.56 2pkq n ASN 330 Ca -0.03 0.59 -0.24 0.00 0.87 0.00 0.00 54.58 55.78 2pkq n ASN 330 Cb 0.64 -0.77 0.04 0.00 -1.02 0.00 0.00 39.78 38.67 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 -2.19 3.37 -4.95 3.52 4.76 -0.59 -5.02 118.16 117.05 2pkq n LYS 331 Ca 0.05 -4.00 -0.32 0.00 -2.87 0.00 0.00 58.31 51.17 2pkq n LYS 331 Cb 0.37 -2.24 -0.14 0.00 -1.84 0.00 0.00 35.03 31.18 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 -3.60 2.66 0.70 2.13 -0.11 -1.15 -4.04 118.94 115.53 2pkq s TRP 332 Ca 0.52 -0.41 -0.17 0.00 1.22 0.00 0.00 56.10 57.26 2pkq s TRP 332 Cb 0.42 -1.67 -0.14 0.00 -1.50 0.00 0.00 33.47 30.58 2pkq s TRP 332 CO 0.03 -0.01 -0.33 -2.30 -4.62 0.00 0.00 176.95 169.72 2pkq n PRO 333 N 2.76 0.02 -2.22 5.86 -0.02 -1.26 -4.93 135.00 135.21 2pkq n PRO 333 Ca -0.17 0.01 -0.30 0.00 -2.02 0.00 0.00 63.50 61.02 2pkq n PRO 333 Cb 0.52 -1.06 0.02 0.00 -0.02 0.00 0.00 33.50 32.96 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 2.80 5.95 5.96 -1.23 0.00 -1.26 -5.08 105.19 112.34 2pkq n GLY 334 Ca 0.04 -2.66 0.01 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.55 0.00 -0.89 0.99 0.00 -1.26 -5.03 117.00 110.25 2pkq n LEU 335 Ca 0.45 0.10 0.00 0.00 0.00 0.00 0.00 56.01 56.56 2pkq n LEU 335 Cb 0.61 -0.34 0.00 0.00 0.00 0.00 0.00 43.42 43.69 2pkq n LEU 335 CO 0.41 -0.69 -0.26 1.21 0.00 0.00 0.00 177.39 178.06 2pkq n GLU 336 N -0.99 -2.49 0.00 1.96 4.07 -1.26 -5.30 120.64 116.63 2pkq n GLU 336 Ca 0.00 1.88 0.00 0.00 -0.06 0.00 0.00 57.16 58.98 2pkq n GLU 336 Cb 0.04 -2.17 0.00 0.00 -0.06 0.00 0.00 31.44 29.25 2pkq n GLU 336 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2pkq n GLY 337 N -1.27 0.63 0.00 8.31 0.00 -1.26 -5.22 105.19 106.38 2pkq n GLY 337 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2pkq n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkq n LYS 359 N -0.53 -1.81 -1.04 0.00 5.02 -1.26 -4.96 118.16 113.58 2pkq n LYS 359 Ca -0.03 0.49 -0.36 0.00 -2.02 0.00 0.00 58.31 56.39 2pkq n LYS 359 Cb 0.35 -4.50 0.06 0.00 -0.02 0.00 0.00 35.03 30.92 2pkq n LYS 359 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2pkq n LEU 360 N -1.91 -3.44 0.00 -0.35 4.77 -1.26 -4.82 117.00 109.98 2pkq n LEU 360 Ca -0.09 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2pkq n LEU 360 Cb 0.58 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2pkq n LEU 360 CO 0.20 -4.91 0.00 0.00 -1.33 0.00 0.00 177.39 171.35 2pkq n TYR 361 N -2.53 0.00 -0.71 -1.77 4.19 -1.26 -4.69 117.16 110.39 2pkq n TYR 361 Ca 0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.24 2pkq n TYR 361 Cb 0.53 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.36 2pkq n TYR 361 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86