#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkq s ILE 2 N 0.00 4.62 -0.07 0.53 1.01 -1.26 -5.02 121.20 121.02 1pkq s ILE 2 Ca 0.00 1.03 0.02 0.00 0.00 0.00 0.00 60.65 61.70 1pkq s ILE 2 Cb 0.00 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.85 1pkq s ILE 2 CO 0.00 -0.30 -0.11 -1.61 0.00 0.00 0.00 174.94 172.92 1pkq s GLU 3 N -3.23 1.60 -0.12 2.79 2.02 -1.26 -4.84 118.70 115.67 1pkq s GLU 3 Ca 0.56 -0.37 -0.03 0.00 0.02 0.00 0.00 54.97 55.15 1pkq s GLU 3 Cb -0.10 -1.37 -0.03 0.00 0.10 0.00 0.00 34.13 32.72 1pkq s GLU 3 CO 0.19 -0.02 -0.01 -0.51 0.02 0.00 0.00 175.26 174.94 1pkq s LEU 4 N 0.81 3.47 -0.46 1.80 1.02 -1.26 -1.91 118.68 122.15 1pkq s LEU 4 Ca -0.12 0.04 -0.10 0.00 0.02 0.00 0.00 54.13 53.97 1pkq s LEU 4 Cb -0.15 -1.81 0.11 0.00 0.02 0.00 0.00 46.19 44.35 1pkq s LEU 4 CO 0.02 0.29 0.33 -0.89 0.02 0.00 0.00 176.35 176.12 1pkq s THR 5 N -0.35 4.31 0.38 5.49 2.01 -0.76 -4.32 115.64 122.40 1pkq s THR 5 Ca 0.07 -1.63 -0.26 0.00 0.31 0.00 0.00 61.69 60.18 1pkq s THR 5 Cb -0.12 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 1pkq s THR 5 CO 0.02 -0.69 1.18 -1.10 -0.69 0.00 0.00 174.62 173.34 1pkq s GLN 6 N 1.40 4.15 -0.29 4.92 -1.52 -1.26 -2.68 119.66 124.39 1pkq s GLN 6 Ca 0.05 1.88 -0.25 0.00 -1.95 0.00 0.00 55.36 55.09 1pkq s GLN 6 Cb -0.25 -2.78 0.16 0.00 -0.22 0.00 0.00 33.01 29.92 1pkq s GLN 6 CO 0.01 -0.25 1.25 -1.54 -0.25 0.00 0.00 175.29 174.51 1pkq s SER 7 N -1.03 -0.24 0.97 5.90 1.04 -0.67 -4.54 113.70 115.15 1pkq s SER 7 Ca 0.55 0.45 -0.11 0.00 0.48 0.00 0.00 55.95 57.32 1pkq s SER 7 Cb -0.32 0.48 0.17 0.00 0.10 0.00 0.00 66.02 66.45 1pkq s SER 7 CO 0.41 -0.08 1.10 -2.84 0.98 0.00 0.00 173.24 172.81 1pkq s PRO 8 N 0.15 0.61 0.26 4.02 0.02 -1.26 0.30 135.00 139.10 1pkq s PRO 8 Ca 0.05 1.19 0.24 0.00 0.02 0.00 0.00 61.00 62.50 1pkq s PRO 8 Cb -0.05 -1.71 0.97 0.00 0.02 0.00 0.00 34.50 33.73 1pkq s PRO 8 CO -0.11 -2.79 1.73 -1.13 -0.33 0.00 0.00 177.00 174.36 1pkq n SER 9 N -4.31 0.73 0.00 2.53 3.41 -1.26 -4.57 113.62 110.15 1pkq n SER 9 Ca 0.08 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1pkq n SER 9 Cb 0.53 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1pkq n SER 9 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pkq n SER 10 N -2.28 0.00 -3.88 4.04 3.41 -1.26 -2.31 113.62 111.34 1pkq n SER 10 Ca 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.54 1pkq n SER 10 Cb 0.27 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 1pkq n SER 10 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1pkq s LEU 11 N 0.00 1.52 -0.06 1.04 2.34 -0.51 -4.93 118.68 118.08 1pkq s LEU 11 Ca 0.00 -0.57 0.05 0.00 0.06 0.00 0.00 54.13 53.67 1pkq s LEU 11 Cb 0.00 0.91 -0.01 0.00 -0.56 0.00 0.00 46.19 46.53 1pkq s LEU 11 CO 0.00 -0.64 -0.23 0.00 -1.06 0.00 0.00 176.35 174.42 1pkq s ALA 12 N -3.33 2.02 0.21 1.48 0.00 -1.26 -2.06 121.76 118.81 1pkq s ALA 12 Ca 0.01 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 1pkq s ALA 12 Cb 0.03 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1pkq s ALA 12 CO -0.08 0.36 0.13 0.14 0.00 0.00 0.00 175.76 176.30 1pkq s VAL 13 N -0.00 0.07 0.32 0.00 -7.23 -1.19 -4.91 120.40 107.45 1pkq s VAL 13 Ca -0.07 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.17 1pkq s VAL 13 Cb -0.14 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 1pkq s VAL 13 CO 0.04 -0.01 0.36 -0.44 -0.31 0.00 0.00 175.10 174.74 1pkq s SER 14 N -3.18 5.64 0.19 4.85 0.01 -1.26 -1.45 113.70 118.51 1pkq s SER 14 Ca 0.39 -0.32 -0.33 0.00 1.31 0.00 0.00 55.95 57.00 1pkq s SER 14 Cb 0.07 -1.17 -0.13 0.00 0.21 0.00 0.00 66.02 65.01 1pkq s SER 14 CO 0.12 -0.34 1.68 0.00 0.41 0.00 0.00 173.24 175.12 1pkq n ALA 15 N -1.46 2.42 0.00 1.44 0.00 -1.26 -2.37 120.51 119.28 1pkq n ALA 15 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1pkq n ALA 15 Cb 0.59 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1pkq n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pkq n GLY 16 N 3.81 2.93 3.82 0.00 0.00 -0.18 -4.93 105.19 110.64 1pkq n GLY 16 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1pkq n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pkq s GLU 17 N -0.97 3.87 0.27 1.61 2.02 -1.00 -4.23 118.70 120.27 1pkq s GLU 17 Ca 0.00 1.11 -0.25 0.00 0.02 0.00 0.00 54.97 55.85 1pkq s GLU 17 Cb 0.00 -2.12 -0.09 0.00 0.10 0.00 0.00 34.13 32.02 1pkq s GLU 17 CO 0.00 -0.35 0.87 0.21 0.02 0.00 0.00 175.26 176.01 1pkq s LYS 18 N -3.72 4.52 0.02 1.61 2.20 -1.20 -0.90 119.74 122.27 1pkq s LYS 18 Ca 0.62 1.20 0.03 0.00 -0.36 0.00 0.00 55.97 57.46 1pkq s LYS 18 Cb -0.12 -2.91 -0.01 0.00 -1.51 0.00 0.00 37.83 33.28 1pkq s LYS 18 CO 0.26 0.36 -0.10 0.54 -0.36 0.00 0.00 175.35 176.06 1pkq s VAL 19 N -1.51 0.74 -0.06 4.02 0.11 -0.33 -4.97 120.40 118.41 1pkq s VAL 19 Ca 0.46 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1pkq s VAL 19 Cb -0.19 -0.68 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1pkq s VAL 19 CO 0.24 0.00 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.06 1pkq s THR 20 N -0.64 0.70 -0.06 5.04 2.01 -1.26 -0.07 115.64 121.37 1pkq s THR 20 Ca -0.00 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.84 1pkq s THR 20 Cb -0.06 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 1pkq s THR 20 CO 0.00 0.28 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.05 1pkq s MET 21 N 1.16 2.61 0.03 4.92 -1.94 0.33 -4.75 119.30 121.67 1pkq s MET 21 Ca -0.07 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.26 1pkq s MET 21 Cb -0.14 -2.45 -0.04 0.00 2.01 0.00 0.00 34.83 34.21 1pkq s MET 21 CO -0.01 0.62 0.14 0.45 -0.01 0.00 0.00 175.02 176.20 1pkq s SER 22 N -0.70 5.98 -0.25 3.03 0.15 0.15 -0.47 113.70 121.58 1pkq s SER 22 Ca 0.11 0.18 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 1pkq s SER 22 Cb -0.11 -1.77 0.13 0.00 -1.71 0.00 0.00 66.02 62.57 1pkq s SER 22 CO 0.01 0.22 0.49 0.00 1.20 0.00 0.00 173.24 175.15 1pkq s LYS 24 N 2.70 2.15 0.34 0.00 1.02 -1.09 -2.75 119.74 122.11 1pkq s LYS 24 Ca 0.08 -0.95 -0.26 0.00 0.02 0.00 0.00 55.97 54.85 1pkq s LYS 24 Cb -0.14 -2.54 -0.09 0.00 -0.52 0.00 0.00 37.83 34.54 1pkq s LYS 24 CO -0.17 -0.44 1.01 0.45 -0.92 0.00 0.00 175.35 175.28 1pkq s SER 25 N 1.32 7.11 0.34 2.83 0.15 -0.67 -1.83 113.70 122.95 1pkq s SER 25 Ca -0.02 2.00 0.26 0.00 0.70 0.00 0.00 55.95 58.88 1pkq s SER 25 Cb -0.17 -2.59 0.84 0.00 -1.71 0.00 0.00 66.02 62.39 1pkq s SER 25 CO -0.08 -0.24 1.76 0.77 1.20 0.00 0.00 173.24 176.65 1pkq h SER 26 N 3.05 0.00 -4.32 5.45 4.64 -1.72 -3.46 113.55 117.19 1pkq h SER 26 Ca -0.47 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.43 1pkq h SER 26 Cb 1.20 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.16 1pkq h SER 26 CO 0.64 0.00 -0.57 -1.10 -0.87 0.00 0.00 176.83 174.93 1pkq s GLN 27 N -3.28 1.60 0.34 4.77 -0.21 -1.26 -4.99 119.66 116.62 1pkq s GLN 27 Ca 0.07 -1.91 -0.26 0.00 0.02 0.00 0.00 55.36 53.28 1pkq s GLN 27 Cb 0.09 -0.28 -0.10 0.00 1.00 0.00 0.00 33.01 33.72 1pkq s GLN 27 CO 0.56 -0.39 0.97 0.45 -2.12 0.00 0.00 175.29 174.76 1pkq s SER 28 N -3.40 7.22 -0.28 5.90 0.15 -1.26 -4.72 113.70 117.32 1pkq s SER 28 Ca 0.35 1.90 0.09 0.00 0.70 0.00 0.00 55.95 58.98 1pkq s SER 28 Cb 0.06 -2.58 0.46 0.00 -1.71 0.00 0.00 66.02 62.25 1pkq s SER 28 CO 0.16 -0.15 1.19 0.18 1.20 0.00 0.00 173.24 175.81 1pkq n LEU 29 N 0.47 4.47 -4.61 3.45 4.77 -1.25 -5.02 117.00 119.27 1pkq n LEU 29 Ca 0.02 -4.53 -0.36 0.00 -0.03 0.00 0.00 56.01 51.12 1pkq n LEU 29 Cb 0.50 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1pkq n LEU 29 CO 0.45 1.96 -0.23 -0.22 -1.33 0.00 0.00 177.39 178.02 1pkq s LEU 30 N -3.56 3.86 -0.11 2.23 2.96 -1.26 0.12 118.68 122.91 1pkq s LEU 30 Ca 0.48 0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 54.24 1pkq s LEU 30 Cb 0.40 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1pkq s LEU 30 CO 0.02 0.10 0.52 0.21 -1.32 0.00 0.00 176.35 175.87 1pkq s ASN 30 N 0.85 6.73 0.19 3.68 3.84 0.13 -4.93 114.94 125.43 1pkq s ASN 30 Ca 0.05 0.87 0.03 0.00 0.21 0.00 0.00 52.86 54.02 1pkq s ASN 30 Cb -0.13 -2.31 0.07 0.00 -0.55 0.00 0.00 41.25 38.33 1pkq s ASN 30 CO 0.03 -0.03 1.43 0.28 -2.79 0.00 0.00 177.10 176.02 1pkq h SER 30 N 6.76 0.26 0.30 -4.21 0.02 -1.96 0.18 113.55 114.90 1pkq h SER 30 Ca -0.41 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.27 1pkq h SER 30 Cb 1.18 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1pkq h SER 30 CO 0.76 0.95 -0.36 1.23 -1.14 0.00 0.00 176.83 178.26 1pkq h GLY 30 N 1.73 0.11 0.38 -3.77 0.00 -1.97 -2.99 103.07 96.56 1pkq h GLY 30 Ca -0.03 -0.09 -0.30 0.00 0.00 0.00 0.00 47.33 46.90 1pkq h GLY 30 CO 0.12 0.08 -2.07 0.70 0.00 0.00 0.00 176.54 175.37 1pkq n ASN 30 N -4.09 0.34 -2.77 0.19 3.02 -1.22 -4.96 115.26 105.78 1pkq n ASN 30 Ca -0.02 0.16 -0.13 0.00 -0.03 0.00 0.00 54.58 54.56 1pkq n ASN 30 Cb 0.42 0.67 0.06 0.00 -0.61 0.00 0.00 39.78 40.32 1pkq n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pkq n GLN 30 N -2.82 -5.01 -4.25 3.52 6.02 0.60 -5.02 117.38 110.43 1pkq n GLN 30 Ca -0.24 0.62 -0.17 0.00 -0.01 0.00 0.00 57.00 57.20 1pkq n GLN 30 Cb 1.06 -4.96 -0.15 0.00 1.02 0.00 0.00 30.24 27.22 1pkq n GLN 30 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1pkq s LYS 30 N -5.16 0.55 -0.50 -1.09 1.02 -0.87 -4.96 119.74 108.73 1pkq s LYS 30 Ca 0.07 -0.24 -0.24 0.00 0.02 0.00 0.00 55.97 55.59 1pkq s LYS 30 Cb -0.03 -0.53 0.03 0.00 -0.52 0.00 0.00 37.83 36.78 1pkq s LYS 30 CO 0.53 0.15 0.86 -0.80 -0.92 0.00 0.00 175.35 175.17 1pkq s ASN 31 N -0.16 6.38 -1.25 2.83 0.01 -1.26 -0.69 114.94 120.81 1pkq s ASN 31 Ca 0.03 -0.23 -0.20 0.00 -0.71 0.00 0.00 52.86 51.75 1pkq s ASN 31 Cb -0.03 -2.41 0.03 0.00 0.41 0.00 0.00 41.25 39.25 1pkq s ASN 31 CO -0.00 -1.07 1.78 -0.31 -1.51 0.00 0.00 177.10 175.99 1pkq s TYR 32 N 3.60 2.54 0.05 2.20 2.02 0.32 -2.02 117.35 126.06 1pkq s TYR 32 Ca 0.30 -1.01 0.06 0.00 -0.37 0.00 0.00 57.07 56.06 1pkq s TYR 32 Cb -0.12 -4.55 -0.02 0.00 -0.40 0.00 0.00 41.96 36.87 1pkq s TYR 32 CO 0.21 -1.65 -0.18 -1.17 -1.57 0.00 0.00 175.55 171.19 1pkq s LEU 33 N 6.15 2.18 0.05 -1.29 2.96 -1.26 -1.40 118.68 126.07 1pkq s LEU 33 Ca 0.58 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1pkq s LEU 33 Cb 0.02 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 1pkq s LEU 33 CO 0.08 0.10 -0.12 0.00 -1.32 0.00 0.00 176.35 175.09 1pkq s ALA 34 N -0.85 0.99 -0.15 5.97 0.00 -0.78 -0.62 121.76 126.32 1pkq s ALA 34 Ca 0.05 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1pkq s ALA 34 Cb -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1pkq s ALA 34 CO 0.02 0.13 -0.19 -1.58 0.00 0.00 0.00 175.76 174.14 1pkq s TRP 35 N -1.16 2.73 0.04 0.00 0.52 -0.11 0.29 118.94 121.26 1pkq s TRP 35 Ca -0.03 -1.28 0.06 0.00 0.02 0.00 0.00 56.10 54.87 1pkq s TRP 35 Cb -0.09 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.33 1pkq s TRP 35 CO 0.01 -0.60 -0.14 0.71 0.02 0.00 0.00 176.95 176.96 1pkq s TYR 36 N 0.91 2.67 -0.17 -1.98 1.51 0.10 -0.53 117.35 119.87 1pkq s TYR 36 Ca -0.04 -0.19 -0.04 0.00 -1.01 0.00 0.00 57.07 55.79 1pkq s TYR 36 Cb -0.15 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1pkq s TYR 36 CO -0.03 0.31 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.54 1pkq s GLN 37 N -1.55 3.64 -0.26 -0.62 0.74 0.13 -1.06 119.66 120.68 1pkq s GLN 37 Ca 0.16 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 55.05 1pkq s GLN 37 Cb -0.11 -2.94 0.07 0.00 1.10 0.00 0.00 33.01 31.13 1pkq s GLN 37 CO 0.07 0.18 -0.02 -1.14 -0.55 0.00 0.00 175.29 173.83 1pkq s GLN 38 N 0.52 1.50 0.48 1.67 0.74 0.13 0.81 119.66 125.51 1pkq s GLN 38 Ca -0.03 -1.11 -0.10 0.00 0.05 0.00 0.00 55.36 54.17 1pkq s GLN 38 Cb -0.14 -2.60 -0.06 0.00 1.10 0.00 0.00 33.01 31.31 1pkq s GLN 38 CO 0.03 -0.69 0.86 0.15 -0.55 0.00 0.00 175.29 175.09 1pkq s LYS 39 N 1.36 3.72 0.18 1.67 1.02 -1.26 -0.68 119.74 125.75 1pkq s LYS 39 Ca -0.02 0.55 -0.33 0.00 0.02 0.00 0.00 55.97 56.19 1pkq s LYS 39 Cb -0.19 -2.28 -0.13 0.00 -0.52 0.00 0.00 37.83 34.72 1pkq s LYS 39 CO -0.09 -0.22 1.68 -2.30 -0.92 0.00 0.00 175.35 173.51 1pkq n PRO 40 N -1.84 2.56 0.00 -1.68 -0.02 -1.26 -3.29 135.00 129.46 1pkq n PRO 40 Ca 0.03 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1pkq n PRO 40 Cb 0.54 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1pkq n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkq n GLY 41 N 3.80 2.49 4.01 -1.23 0.00 -1.26 -5.03 105.19 107.97 1pkq n GLY 41 Ca 0.17 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 1pkq n GLY 41 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1pkq s LEU 42 N 0.00 3.10 0.00 0.99 -0.00 -1.21 -5.12 118.68 116.44 1pkq s LEU 42 Ca 0.00 -0.87 -0.20 0.00 -0.00 0.00 0.00 54.13 53.06 1pkq s LEU 42 Cb 0.00 -1.66 0.30 0.00 -0.00 0.00 0.00 46.19 44.83 1pkq s LEU 42 CO 0.00 -1.26 1.12 -2.65 -0.00 0.00 0.00 176.35 173.57 1pkq n PRO 43 N -2.14 -2.94 -2.64 1.48 -0.02 -1.26 -4.68 135.00 122.80 1pkq n PRO 43 Ca 0.13 -1.79 -0.36 0.00 -2.02 0.00 0.00 63.50 59.46 1pkq n PRO 43 Cb 0.62 -1.61 -0.05 0.00 -0.02 0.00 0.00 33.50 32.44 1pkq n PRO 43 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1pkq s PRO 44 N -5.54 4.31 -0.02 0.52 0.02 -1.26 -4.51 135.00 128.53 1pkq s PRO 44 Ca 0.72 1.42 0.01 0.00 0.02 0.00 0.00 61.00 63.16 1pkq s PRO 44 Cb -0.06 -2.60 -0.04 0.00 0.02 0.00 0.00 34.50 31.82 1pkq s PRO 44 CO 0.54 0.01 0.01 0.21 -0.33 0.00 0.00 177.00 177.44 1pkq s LYS 45 N -2.40 2.84 -0.27 5.54 2.20 0.24 -4.91 119.74 122.98 1pkq s LYS 45 Ca 0.56 -0.57 -0.15 0.00 -0.36 0.00 0.00 55.97 55.45 1pkq s LYS 45 Cb -0.20 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 1pkq s LYS 45 CO 0.25 0.64 0.38 -1.17 -0.36 0.00 0.00 175.35 175.09 1pkq s LEU 46 N -1.46 4.06 -0.25 5.43 2.96 -1.26 0.17 118.68 128.32 1pkq s LEU 46 Ca 0.19 0.27 -0.16 0.00 -0.22 0.00 0.00 54.13 54.21 1pkq s LEU 46 Cb -0.12 -2.43 -0.12 0.00 0.50 0.00 0.00 46.19 44.02 1pkq s LEU 46 CO 0.09 -0.20 -0.24 0.18 -1.32 0.00 0.00 176.35 174.87 1pkq n LEU 47 N 5.34 1.93 -3.86 -0.68 4.77 0.31 -4.66 117.00 120.16 1pkq n LEU 47 Ca -0.08 0.37 -0.12 0.00 -0.03 0.00 0.00 56.01 56.14 1pkq n LEU 47 Cb 0.51 -0.84 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 1pkq n LEU 47 CO 0.37 0.37 -0.32 0.27 -1.33 0.00 0.00 177.39 176.75 1pkq s ILE 48 N -2.52 -0.00 0.28 -0.08 -4.36 -1.13 -1.03 121.20 112.35 1pkq s ILE 48 Ca -0.35 0.01 0.08 0.00 -0.26 0.00 0.00 60.65 60.13 1pkq s ILE 48 Cb 0.11 -0.06 -0.06 0.00 1.25 0.00 0.00 42.46 43.71 1pkq s ILE 48 CO 0.49 0.00 -0.10 -0.72 0.24 0.00 0.00 174.94 174.86 1pkq s TYR 49 N 0.05 2.03 -1.23 1.37 1.13 -0.26 -0.93 117.35 119.50 1pkq s TYR 49 Ca -0.00 -0.60 -0.01 0.00 -1.41 0.00 0.00 57.07 55.06 1pkq s TYR 49 Cb -0.01 -1.09 0.00 0.00 -1.10 0.00 0.00 41.96 39.76 1pkq s TYR 49 CO -0.00 0.40 0.08 0.41 -2.51 0.00 0.00 175.55 173.93 1pkq n GLY 50 N -0.59 -0.23 4.55 5.49 0.00 -0.47 -1.93 105.19 112.00 1pkq n GLY 50 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1pkq n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkq n ALA 51 N -1.95 0.00 -2.74 4.61 0.00 0.21 -4.42 120.51 116.22 1pkq n ALA 51 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1pkq n ALA 51 Cb 0.62 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.14 1pkq n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pkq n SER 52 N 0.43 -2.67 -3.71 0.00 3.41 -1.16 -3.83 113.62 106.08 1pkq n SER 52 Ca 0.00 -3.43 -0.12 0.00 -0.26 0.00 0.00 58.87 55.06 1pkq n SER 52 Cb 0.00 1.86 -0.12 0.00 -0.26 0.00 0.00 64.21 65.69 1pkq n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pkq s THR 53 N 0.53 -0.07 0.00 6.66 2.01 -0.82 -4.96 115.64 119.00 1pkq s THR 53 Ca 0.28 0.14 -0.22 0.00 0.31 0.00 0.00 61.69 62.20 1pkq s THR 53 Cb 0.25 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 72.26 1pkq s THR 53 CO -0.17 0.06 0.67 -0.13 -0.69 0.00 0.00 174.62 174.35 1pkq s ARG 54 N 1.39 4.40 0.79 4.92 0.52 -1.26 -1.11 118.95 128.59 1pkq s ARG 54 Ca -0.09 0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 55.88 1pkq s ARG 54 Cb -0.10 -3.36 0.07 0.00 0.52 0.00 0.00 34.95 32.07 1pkq s ARG 54 CO -0.10 0.30 1.10 -2.00 0.02 0.00 0.00 175.30 174.62 1pkq s GLU 55 N -0.00 2.09 0.52 3.54 2.56 -0.20 -4.92 118.70 122.29 1pkq s GLU 55 Ca 0.34 1.25 -0.21 0.00 0.00 0.00 0.00 54.97 56.36 1pkq s GLU 55 Cb -0.19 -1.87 -0.08 0.00 2.00 0.00 0.00 34.13 33.99 1pkq s GLU 55 CO 0.19 -1.78 0.88 0.43 -0.56 0.00 0.00 175.26 174.42 1pkq n SER 56 N -3.55 0.55 0.00 -1.70 7.64 -1.26 -2.61 113.62 112.69 1pkq n SER 56 Ca 0.10 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1pkq n SER 56 Cb 0.53 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1pkq n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pkq n GLY 57 N 1.36 0.92 3.66 0.23 0.00 -1.26 -4.98 105.19 105.13 1pkq n GLY 57 Ca 0.12 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.63 1pkq n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pkq n VAL 58 N 0.00 0.21 -1.67 1.61 0.31 -1.07 -4.89 118.33 112.82 1pkq n VAL 58 Ca 0.00 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.86 1pkq n VAL 58 Cb 0.00 -1.36 -0.01 0.00 -0.91 0.00 0.00 33.84 31.56 1pkq n VAL 58 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1pkq n PRO 59 N 4.37 1.98 0.03 5.55 -0.02 -1.26 -4.87 135.00 140.78 1pkq n PRO 59 Ca 0.21 0.70 0.04 0.00 -2.02 0.00 0.00 63.50 62.42 1pkq n PRO 59 Cb 0.23 -2.27 0.18 0.00 -0.02 0.00 0.00 33.50 31.62 1pkq n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1pkq n ASP 60 N 1.23 0.10 0.12 2.55 3.85 -1.26 -1.34 116.55 121.80 1pkq n ASP 60 Ca 0.07 0.54 0.11 0.00 -0.71 0.00 0.00 54.79 54.81 1pkq n ASP 60 Cb 0.34 -0.56 0.47 0.00 -1.35 0.00 0.00 41.12 40.03 1pkq n ASP 60 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 1pkq n ARG 61 N -1.63 0.17 -3.30 0.11 1.85 -1.26 -4.54 116.66 108.05 1pkq n ARG 61 Ca 0.01 0.42 -0.38 0.00 -1.00 0.00 0.00 57.85 56.90 1pkq n ARG 61 Cb 0.06 -1.83 -0.06 0.00 -1.05 0.00 0.00 32.46 29.58 1pkq n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1pkq s PHE 62 N -3.29 3.46 -0.11 2.89 0.40 -0.45 -0.55 117.98 120.33 1pkq s PHE 62 Ca 0.04 0.83 -0.07 0.00 -0.60 0.00 0.00 56.93 57.13 1pkq s PHE 62 Cb 0.09 -2.58 0.04 0.00 0.51 0.00 0.00 43.02 41.08 1pkq s PHE 62 CO 0.36 0.08 0.27 0.95 0.70 0.00 0.00 175.22 177.58 1pkq s THR 63 N 0.95 -0.02 -0.19 0.64 -4.23 -0.28 -4.99 115.64 107.53 1pkq s THR 63 Ca 0.25 0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.85 1pkq s THR 63 Cb -0.15 -0.40 0.02 0.00 1.34 0.00 0.00 72.50 73.31 1pkq s THR 63 CO 0.10 0.03 -0.19 -0.83 -0.54 0.00 0.00 174.62 173.19 1pkq s GLY 64 N 0.81 1.40 0.51 3.99 0.00 -1.26 0.38 107.32 113.15 1pkq s GLY 64 Ca -0.05 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.43 1pkq s GLY 64 CO -0.05 0.33 0.01 -1.35 0.00 0.00 0.00 173.10 172.04 1pkq s SER 65 N 1.29 4.15 0.00 1.64 1.04 -0.41 -3.79 113.70 117.62 1pkq s SER 65 Ca 0.04 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 54.82 1pkq s SER 65 Cb -0.14 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1pkq s SER 65 CO -0.12 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1pkq n GLY 66 N -1.28 1.43 0.00 7.32 0.00 -1.26 -0.26 105.19 111.14 1pkq n GLY 66 Ca -0.19 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.65 1pkq n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pkq n SER 67 N 0.00 0.00 0.00 1.61 3.41 -0.21 -4.93 113.62 113.50 1pkq n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pkq n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pkq n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pkq n GLY 68 N -0.17 1.30 0.00 5.00 0.00 -1.26 -2.22 105.19 107.84 1pkq n GLY 68 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1pkq n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pkq n THR 69 N 0.00 0.00 -3.62 2.61 -2.24 -1.26 -3.81 114.28 105.96 1pkq n THR 69 Ca 0.00 -0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.26 1pkq n THR 69 Cb 0.00 0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 68.77 1pkq n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1pkq s ASP 70 N -1.14 6.17 0.21 3.42 1.01 -0.94 -1.68 116.67 123.72 1pkq s ASP 70 Ca 0.00 0.18 0.02 0.00 0.71 0.00 0.00 52.55 53.46 1pkq s ASP 70 Cb 0.00 -2.12 -0.05 0.00 1.01 0.00 0.00 42.92 41.76 1pkq s ASP 70 CO 0.00 0.05 0.04 -0.36 0.21 0.00 0.00 175.17 175.11 1pkq s PHE 71 N 1.05 1.35 -0.26 4.23 0.08 -1.11 -1.04 117.98 122.28 1pkq s PHE 71 Ca 0.09 -1.09 -0.18 0.00 0.12 0.00 0.00 56.93 55.88 1pkq s PHE 71 Cb -0.14 -0.77 0.07 0.00 -0.57 0.00 0.00 43.02 41.61 1pkq s PHE 71 CO 0.05 -0.27 0.65 0.95 -0.10 0.00 0.00 175.22 176.50 1pkq s THR 72 N -3.70 -0.00 -0.20 0.64 -4.23 0.64 -3.43 115.64 105.36 1pkq s THR 72 Ca 0.30 0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.71 1pkq s THR 72 Cb 0.07 -0.93 -0.05 0.00 1.34 0.00 0.00 72.50 72.93 1pkq s THR 72 CO 0.08 0.00 0.18 -0.22 -0.54 0.00 0.00 174.62 174.12 1pkq s LEU 73 N 1.18 4.19 -0.08 4.79 2.96 0.38 -1.29 118.68 130.81 1pkq s LEU 73 Ca -0.07 0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1pkq s LEU 73 Cb -0.05 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.48 1pkq s LEU 73 CO -0.12 0.12 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.98 1pkq s THR 74 N 0.61 1.43 -0.41 3.68 2.01 0.16 0.12 115.64 123.24 1pkq s THR 74 Ca 0.10 -0.65 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1pkq s THR 74 Cb -0.12 -1.28 0.08 0.00 0.01 0.00 0.00 72.50 71.19 1pkq s THR 74 CO 0.01 0.42 0.25 -0.63 -0.69 0.00 0.00 174.62 173.98 1pkq s ILE 75 N 0.57 4.10 0.10 1.82 1.01 0.90 -1.13 121.20 128.56 1pkq s ILE 75 Ca -0.16 -1.46 -0.24 0.00 0.00 0.00 0.00 60.65 58.79 1pkq s ILE 75 Cb -0.16 -3.53 -0.07 0.00 0.01 0.00 0.00 42.46 38.70 1pkq s ILE 75 CO 0.05 -0.51 1.40 0.77 0.00 0.00 0.00 174.94 176.65 1pkq h SER 76 N 8.36 -1.40 -3.15 3.58 4.64 -1.09 -0.85 113.55 123.63 1pkq h SER 76 Ca -0.22 0.19 -0.58 0.00 -0.47 0.00 0.00 61.79 60.71 1pkq h SER 76 Cb 1.08 0.58 -0.40 0.00 -0.31 0.00 0.00 62.40 63.35 1pkq h SER 76 CO 0.75 -0.27 -0.76 -0.55 -0.87 0.00 0.00 176.83 175.13 1pkq s SER 77 N -4.49 3.87 0.67 4.97 0.15 -1.26 -3.22 113.70 114.39 1pkq s SER 77 Ca -0.10 -1.82 -0.17 0.00 0.70 0.00 0.00 55.95 54.55 1pkq s SER 77 Cb 0.06 -0.83 -0.10 0.00 -1.71 0.00 0.00 66.02 63.45 1pkq s SER 77 CO 0.45 -0.38 0.14 0.52 1.20 0.00 0.00 173.24 175.16 1pkq n VAL 78 N 4.59 1.03 -4.33 4.45 0.31 -0.08 -4.57 118.33 119.75 1pkq n VAL 78 Ca 0.01 -0.46 -0.17 0.00 -0.01 0.00 0.00 64.34 63.71 1pkq n VAL 78 Cb 0.40 -0.39 -0.10 0.00 -0.91 0.00 0.00 33.84 32.84 1pkq n VAL 78 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1pkq s GLN 79 N -2.01 1.29 0.15 5.55 2.00 -1.26 -1.01 119.66 124.37 1pkq s GLN 79 Ca 0.60 -1.61 -0.12 0.00 -2.00 0.00 0.00 55.36 52.22 1pkq s GLN 79 Cb -0.39 -0.82 0.01 0.00 0.80 0.00 0.00 33.01 32.61 1pkq s GLN 79 CO 0.63 0.04 1.59 0.00 -0.50 0.00 0.00 175.29 177.05 1pkq h ALA 80 N 2.55 0.65 0.00 1.58 0.00 -1.91 -2.42 119.26 119.70 1pkq h ALA 80 Ca -0.38 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1pkq h ALA 80 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1pkq h ALA 80 CO 0.64 0.47 0.00 1.05 0.00 0.00 0.00 179.25 181.41 1pkq h GLU 81 N 0.71 0.00 0.00 0.00 4.11 -1.90 -2.61 114.58 114.89 1pkq h GLU 81 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1pkq h GLU 81 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1pkq h GLU 81 CO 0.03 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.86 1pkq n ASP 82 N -2.43 0.00 -4.69 3.06 8.00 -0.91 -4.75 116.55 114.83 1pkq n ASP 82 Ca 0.00 -0.23 -0.42 0.00 0.71 0.00 0.00 54.79 54.85 1pkq n ASP 82 Cb 0.15 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1pkq n ASP 82 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1pkq s LEU 83 N -2.35 4.37 0.00 0.64 2.96 -0.99 -4.86 118.68 118.46 1pkq s LEU 83 Ca 0.22 2.53 0.00 0.00 -0.22 0.00 0.00 54.13 56.66 1pkq s LEU 83 Cb 0.13 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.26 1pkq s LEU 83 CO 0.26 -0.91 0.00 0.00 -1.32 0.00 0.00 176.35 174.39 1pkq n ALA 84 N 5.62 0.00 -2.77 5.97 0.00 -1.21 -4.78 120.51 123.34 1pkq n ALA 84 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 1pkq n ALA 84 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 1pkq n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pkq s VAL 85 N -2.72 4.26 -0.24 0.00 1.01 0.14 -1.66 120.40 121.18 1pkq s VAL 85 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1pkq s VAL 85 Cb 0.00 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1pkq s VAL 85 CO 0.00 0.55 -0.04 -0.31 0.00 0.00 0.00 175.10 175.30 1pkq s TYR 86 N -0.36 3.03 0.02 5.22 1.51 -0.41 0.20 117.35 126.56 1pkq s TYR 86 Ca 0.07 -1.29 0.02 0.00 -1.01 0.00 0.00 57.07 54.86 1pkq s TYR 86 Cb -0.12 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 1pkq s TYR 86 CO 0.02 -0.66 0.00 0.71 -1.11 0.00 0.00 175.55 174.52 1pkq s TYR 87 N 1.40 3.06 0.12 2.71 2.02 -0.23 -0.92 117.35 125.51 1pkq s TYR 87 Ca 0.02 0.06 0.08 0.00 -0.37 0.00 0.00 57.07 56.87 1pkq s TYR 87 Cb -0.16 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 1pkq s TYR 87 CO -0.03 0.46 -0.15 0.00 -1.57 0.00 0.00 175.55 174.26 1pkq s GLN 89 N -2.20 0.15 -0.30 0.00 -0.44 0.15 0.95 119.66 117.97 1pkq s GLN 89 Ca 0.20 0.46 -0.28 0.00 -2.50 0.00 0.00 55.36 53.24 1pkq s GLN 89 Cb -0.11 -0.15 -0.05 0.00 -1.64 0.00 0.00 33.01 31.06 1pkq s GLN 89 CO 0.12 -0.17 2.20 1.21 0.50 0.00 0.00 175.29 179.15 1pkq s ASN 90 N 1.24 5.28 -0.34 6.67 2.47 0.44 -1.86 114.94 128.83 1pkq s ASN 90 Ca -0.09 1.60 0.07 0.00 0.42 0.00 0.00 52.86 54.86 1pkq s ASN 90 Cb -0.11 -2.51 0.51 0.00 -1.45 0.00 0.00 41.25 37.69 1pkq s ASN 90 CO -0.07 -2.14 1.53 -0.67 -3.72 0.00 0.00 177.10 172.03 1pkq n ASP 91 N 12.46 3.31 0.00 -4.21 2.03 -0.49 -3.42 116.55 126.22 1pkq n ASP 91 Ca 0.30 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.83 1pkq n ASP 91 Cb 0.47 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1pkq n ASP 91 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1pkq n HIS 92 N -1.07 0.00 -5.10 -0.67 -0.00 -1.23 -4.82 115.22 102.33 1pkq n HIS 92 Ca 0.40 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 58.29 1pkq n HIS 92 Cb 1.06 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.77 1pkq n HIS 92 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1pkq s SER 93 N -1.66 2.70 0.26 0.26 0.01 -1.26 -5.10 113.70 108.91 1pkq s SER 93 Ca 0.00 -0.44 -0.29 0.00 1.31 0.00 0.00 55.95 56.53 1pkq s SER 93 Cb 0.00 -0.64 -0.09 0.00 0.21 0.00 0.00 66.02 65.49 1pkq s SER 93 CO 0.00 0.22 0.96 -0.31 0.41 0.00 0.00 173.24 174.52 1pkq s TYR 94 N -0.19 3.89 0.14 2.43 1.51 -1.26 -3.32 117.35 120.56 1pkq s TYR 94 Ca -0.01 1.87 -0.28 0.00 -1.01 0.00 0.00 57.07 57.65 1pkq s TYR 94 Cb -0.12 -3.00 -0.07 0.00 -0.11 0.00 0.00 41.96 38.66 1pkq s TYR 94 CO 0.02 0.31 0.88 -1.25 -1.11 0.00 0.00 175.55 174.40 1pkq s PRO 95 N -1.37 4.67 0.54 -1.71 0.04 -1.26 -4.85 135.00 131.05 1pkq s PRO 95 Ca 0.43 1.32 -0.21 0.00 0.04 0.00 0.00 61.00 62.58 1pkq s PRO 95 Cb -0.25 -3.32 -0.07 0.00 0.04 0.00 0.00 34.50 30.90 1pkq s PRO 95 CO 0.31 0.39 1.06 1.28 0.04 0.00 0.00 177.00 180.09 1pkq n LEU 96 N 2.18 3.76 -3.80 -3.56 4.77 -1.21 -4.69 117.00 114.44 1pkq n LEU 96 Ca -0.02 0.91 -0.13 0.00 -0.03 0.00 0.00 56.01 56.75 1pkq n LEU 96 Cb 0.49 -1.42 -0.11 0.00 -2.33 0.00 0.00 43.42 40.05 1pkq n LEU 96 CO 0.49 -1.47 -0.08 0.42 -1.33 0.00 0.00 177.39 175.42 1pkq s THR 97 N -1.40 0.02 0.24 -5.08 -4.23 -1.22 -5.01 115.64 98.96 1pkq s THR 97 Ca 0.71 -0.20 0.07 0.00 -1.18 0.00 0.00 61.69 61.09 1pkq s THR 97 Cb -0.46 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 1pkq s THR 97 CO 0.51 -0.11 0.13 -0.36 -0.54 0.00 0.00 174.62 174.25 1pkq s PHE 98 N -0.37 3.00 0.96 3.99 0.40 -1.26 -0.42 117.98 124.27 1pkq s PHE 98 Ca -0.05 -0.13 -0.16 0.00 -0.60 0.00 0.00 56.93 55.99 1pkq s PHE 98 Cb -0.03 -1.36 0.19 0.00 0.51 0.00 0.00 43.02 42.33 1pkq s PHE 98 CO 0.01 0.55 1.30 0.20 0.70 0.00 0.00 175.22 177.98 1pkq s GLY 99 N -3.68 1.75 0.00 4.36 0.00 0.27 -4.70 107.32 105.32 1pkq s GLY 99 Ca 0.32 -1.13 0.25 0.00 0.00 0.00 0.00 44.72 44.17 1pkq s GLY 99 CO 0.23 -0.38 1.83 0.00 0.00 0.00 0.00 173.10 174.78 1pkq n ALA 100 N -3.77 2.20 0.00 3.20 0.00 -1.26 -4.71 120.51 116.17 1pkq n ALA 100 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1pkq n ALA 100 Cb 0.60 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1pkq n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pkq n GLY 101 N 1.07 -1.30 2.84 0.00 0.00 -1.26 -4.97 105.19 101.57 1pkq n GLY 101 Ca 0.08 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 1pkq n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pkq s THR 102 N -3.02 0.95 0.04 2.61 2.01 -0.10 -4.74 115.64 113.39 1pkq s THR 102 Ca 0.00 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 1pkq s THR 102 Cb 0.00 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1pkq s THR 102 CO 0.00 -0.01 0.95 -0.75 -0.69 0.00 0.00 174.62 174.12 1pkq s LYS 103 N 1.68 4.60 -0.43 4.92 2.20 -0.98 -1.28 119.74 130.46 1pkq s LYS 103 Ca -0.01 1.40 -0.02 0.00 -0.36 0.00 0.00 55.97 56.98 1pkq s LYS 103 Cb -0.16 -3.43 0.11 0.00 -1.51 0.00 0.00 37.83 32.85 1pkq s LYS 103 CO -0.07 0.06 0.22 -1.17 -0.36 0.00 0.00 175.35 174.03 1pkq s LEU 104 N 0.60 5.20 0.09 5.43 2.96 -0.67 -1.42 118.68 130.87 1pkq s LEU 104 Ca 0.49 -2.14 -0.15 0.00 -0.22 0.00 0.00 54.13 52.11 1pkq s LEU 104 Cb -0.22 -1.81 -0.06 0.00 0.50 0.00 0.00 46.19 44.60 1pkq s LEU 104 CO 0.28 -0.51 0.50 -1.61 -1.32 0.00 0.00 176.35 173.69 1pkq s GLU 105 N 0.98 4.00 -0.04 1.98 2.02 -0.88 -3.34 118.70 123.43 1pkq s GLU 105 Ca 0.09 0.50 -0.08 0.00 0.02 0.00 0.00 54.97 55.50 1pkq s GLU 105 Cb -0.22 -3.09 -0.05 0.00 0.10 0.00 0.00 34.13 30.87 1pkq s GLU 105 CO -0.04 0.58 0.25 0.42 0.02 0.00 0.00 175.26 176.49 1pkq s ILE 106 N -1.27 5.32 0.11 -1.63 1.09 -1.26 -3.16 121.20 120.40 1pkq s ILE 106 Ca 0.32 0.32 0.05 0.00 -1.10 0.00 0.00 60.65 60.24 1pkq s ILE 106 Cb -0.16 -3.53 -0.04 0.00 -1.06 0.00 0.00 42.46 37.66 1pkq s ILE 106 CO 0.18 0.51 0.01 -1.59 -0.10 0.00 0.00 174.94 173.94 1pkq s LYS 107 N -1.35 2.54 0.00 2.79 -2.85 -0.53 -4.91 119.74 115.44 1pkq s LYS 107 Ca 0.22 -0.90 0.00 0.00 -1.00 0.00 0.00 55.97 54.29 1pkq s LYS 107 Cb -0.13 -2.51 0.00 0.00 -2.06 0.00 0.00 37.83 33.13 1pkq s LYS 107 CO 0.11 0.52 0.00 2.89 0.10 0.00 0.00 175.35 178.97 1pkq n ARG 108 N 0.35 0.00 -3.00 1.78 1.85 -1.26 -4.45 116.66 111.94 1pkq n ARG 108 Ca -0.10 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.51 1pkq n ARG 108 Cb 0.53 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.95 1pkq n ARG 108 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1pkq s THR 109 N -1.63 4.21 0.29 8.89 -4.23 -1.26 -5.04 115.64 116.88 1pkq s THR 109 Ca 0.00 -0.42 -0.28 0.00 -1.18 0.00 0.00 61.69 59.80 1pkq s THR 109 Cb 0.00 -3.56 -0.09 0.00 1.34 0.00 0.00 72.50 70.18 1pkq s THR 109 CO 0.00 -0.41 1.03 -0.69 -0.54 0.00 0.00 174.62 174.01 1pkq s VAL 110 N -2.55 3.78 0.05 2.29 1.01 -1.26 -4.78 120.40 118.94 1pkq s VAL 110 Ca 0.47 1.68 -0.01 0.00 0.00 0.00 0.00 61.98 64.12 1pkq s VAL 110 Cb -0.10 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1pkq s VAL 110 CO 0.38 0.32 -0.02 0.00 0.00 0.00 0.00 175.10 175.78 1pkq s ALA 111 N -1.30 0.50 0.15 5.51 0.00 0.16 -4.94 121.76 121.85 1pkq s ALA 111 Ca 0.46 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1pkq s ALA 111 Cb -0.27 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1pkq s ALA 111 CO 0.34 -0.38 0.19 0.00 0.00 0.00 0.00 175.76 175.92 1pkq s ALA 112 N -3.92 3.74 0.14 0.00 0.00 -1.26 -2.65 121.76 117.80 1pkq s ALA 112 Ca 0.07 -1.12 -0.31 0.00 0.00 0.00 0.00 51.96 50.61 1pkq s ALA 112 Cb 0.08 -1.54 -0.08 0.00 0.00 0.00 0.00 23.12 21.58 1pkq s ALA 112 CO -0.10 0.54 1.30 -2.14 0.00 0.00 0.00 175.76 175.37 1pkq s PRO 113 N -3.10 4.38 -0.97 0.00 0.02 -1.26 -4.52 135.00 129.55 1pkq s PRO 113 Ca 0.32 1.98 -0.19 0.00 0.02 0.00 0.00 61.00 63.13 1pkq s PRO 113 Cb -0.11 -3.25 0.11 0.00 0.02 0.00 0.00 34.50 31.28 1pkq s PRO 113 CO 0.25 -0.31 1.22 -1.12 -0.33 0.00 0.00 177.00 176.72 1pkq s SER 114 N 0.76 6.63 0.14 2.53 0.01 -0.61 -4.76 113.70 118.41 1pkq s SER 114 Ca 0.60 -1.97 -0.31 0.00 1.31 0.00 0.00 55.95 55.57 1pkq s SER 114 Cb -0.35 -2.44 -0.08 0.00 0.21 0.00 0.00 66.02 63.36 1pkq s SER 114 CO 0.33 -1.14 1.38 -0.69 0.41 0.00 0.00 173.24 173.53 1pkq s VAL 115 N 3.14 3.22 -0.02 3.43 1.01 -1.26 -2.03 120.40 127.89 1pkq s VAL 115 Ca 0.36 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1pkq s VAL 115 Cb -0.03 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1pkq s VAL 115 CO -0.09 0.09 0.02 -0.36 0.00 0.00 0.00 175.10 174.76 1pkq s PHE 116 N 0.80 0.09 -0.03 5.22 0.08 -0.23 -4.99 117.98 118.93 1pkq s PHE 116 Ca 0.63 0.07 0.05 0.00 0.12 0.00 0.00 56.93 57.80 1pkq s PHE 116 Cb -0.37 -0.23 -0.03 0.00 -0.57 0.00 0.00 43.02 41.82 1pkq s PHE 116 CO 0.33 -0.08 -0.18 -1.50 -0.10 0.00 0.00 175.22 173.69 1pkq s ILE 117 N 0.82 2.74 -0.10 0.64 2.07 -1.26 0.96 121.20 127.08 1pkq s ILE 117 Ca -0.07 -0.89 0.03 0.00 -1.41 0.00 0.00 60.65 58.31 1pkq s ILE 117 Cb -0.10 -2.05 0.01 0.00 0.13 0.00 0.00 42.46 40.44 1pkq s ILE 117 CO -0.02 0.55 -0.21 -0.36 -1.91 0.00 0.00 174.94 173.00 1pkq s PHE 118 N -0.72 2.30 0.15 3.50 0.08 0.50 -4.98 117.98 118.81 1pkq s PHE 118 Ca 0.11 -0.98 -0.18 0.00 0.12 0.00 0.00 56.93 56.01 1pkq s PHE 118 Cb -0.10 -1.57 -0.07 0.00 -0.57 0.00 0.00 43.02 40.70 1pkq s PHE 118 CO 0.01 -0.42 0.63 -2.14 -0.10 0.00 0.00 175.22 173.19 1pkq s PRO 119 N 0.52 4.17 0.29 0.24 0.02 -1.26 -1.96 135.00 137.02 1pkq s PRO 119 Ca -0.15 0.72 -0.27 0.00 0.02 0.00 0.00 61.00 61.32 1pkq s PRO 119 Cb -0.17 -3.02 -0.14 0.00 0.02 0.00 0.00 34.50 31.19 1pkq s PRO 119 CO 0.06 0.50 0.80 -2.30 -0.33 0.00 0.00 177.00 175.73 1pkq n PRO 120 N 1.07 0.87 -2.84 5.54 -0.02 -1.22 -4.90 135.00 133.49 1pkq n PRO 120 Ca -0.06 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 1pkq n PRO 120 Cb 0.51 -1.57 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 1pkq n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1pkq s SER 121 N -0.74 6.75 0.00 2.55 1.04 -1.26 -4.96 113.70 117.08 1pkq s SER 121 Ca 0.61 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.81 1pkq s SER 121 Cb -0.74 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 62.92 1pkq s SER 121 CO 0.59 -0.71 0.00 0.47 0.98 0.00 0.00 173.24 174.56 1pkq n ASP 122 N 6.44 0.00 -0.36 7.02 9.92 -1.26 0.28 116.55 138.59 1pkq n ASP 122 Ca 0.07 0.00 0.31 0.00 -0.53 0.00 0.00 54.79 54.63 1pkq n ASP 122 Cb 0.48 0.00 0.53 0.00 -0.64 0.00 0.00 41.12 41.48 1pkq n ASP 122 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1pkq n GLU 123 N -1.06 -0.03 -0.04 -1.24 2.13 -1.26 0.16 120.64 119.30 1pkq n GLU 123 Ca 0.00 1.01 -0.16 0.00 0.66 0.00 0.00 57.16 58.67 1pkq n GLU 123 Cb 0.00 -1.97 -0.06 0.00 0.27 0.00 0.00 31.44 29.68 1pkq n GLU 123 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1pkq h GLN 124 N 0.00 0.81 -0.09 5.31 4.15 0.36 -3.26 115.11 122.39 1pkq h GLN 124 Ca 0.70 -0.61 0.03 0.00 0.77 0.00 0.00 58.65 59.55 1pkq h GLN 124 Cb 2.18 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 29.94 1pkq h GLN 124 CO -0.41 1.22 -0.13 -0.07 -1.93 0.00 0.00 178.83 177.51 1pkq h LEU 125 N 0.56 -0.40 -0.42 -2.39 3.38 0.17 0.16 115.31 116.38 1pkq h LEU 125 Ca -0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1pkq h LEU 125 Cb 1.30 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1pkq h LEU 125 CO 0.14 -0.18 0.24 0.29 0.09 0.00 0.00 178.44 179.03 1pkq n LYS 126 N -5.27 0.04 -0.47 1.13 5.02 -0.99 0.39 118.16 118.01 1pkq n LYS 126 Ca -0.04 0.43 0.08 0.00 -2.02 0.00 0.00 58.31 56.76 1pkq n LYS 126 Cb 0.19 -1.88 0.28 0.00 -0.02 0.00 0.00 35.03 33.60 1pkq n LYS 126 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1pkq n SER 127 N -1.66 4.12 0.00 4.39 7.64 0.56 -5.01 113.62 123.67 1pkq n SER 127 Ca -0.00 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.36 1pkq n SER 127 Cb 0.25 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1pkq n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pkq n GLY 128 N 0.50 2.63 3.69 0.23 0.00 0.16 -5.02 105.19 107.38 1pkq n GLY 128 Ca 0.21 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1pkq n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pkq s THR 129 N -1.29 3.82 -0.09 2.61 -4.23 -1.25 0.55 115.64 115.75 1pkq s THR 129 Ca 0.00 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1pkq s THR 129 Cb 0.00 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.90 1pkq s THR 129 CO 0.00 -0.16 -0.19 0.00 -0.54 0.00 0.00 174.62 173.73 1pkq s ALA 130 N -1.84 1.80 -0.16 3.99 0.00 0.21 -3.83 121.76 121.93 1pkq s ALA 130 Ca 0.29 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1pkq s ALA 130 Cb -0.09 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1pkq s ALA 130 CO 0.20 0.16 -0.19 -1.12 0.00 0.00 0.00 175.76 174.81 1pkq s SER 131 N 0.57 2.98 -0.13 0.00 0.01 -1.26 0.71 113.70 116.57 1pkq s SER 131 Ca -0.15 -0.59 -0.02 0.00 1.31 0.00 0.00 55.95 56.50 1pkq s SER 131 Cb -0.17 -1.38 -0.02 0.00 0.21 0.00 0.00 66.02 64.66 1pkq s SER 131 CO 0.05 -0.00 -0.07 -0.69 0.41 0.00 0.00 173.24 172.94 1pkq s VAL 132 N 1.26 3.61 -0.11 3.43 1.01 0.24 -3.45 120.40 126.39 1pkq s VAL 132 Ca 0.03 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1pkq s VAL 132 Cb -0.13 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1pkq s VAL 132 CO -0.10 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.67 1pkq s VAL 133 N 0.16 2.83 -0.19 2.92 1.01 -0.83 0.10 120.40 126.41 1pkq s VAL 133 Ca -0.03 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1pkq s VAL 133 Cb -0.14 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.11 1pkq s VAL 133 CO 0.04 0.54 -0.15 0.00 0.00 0.00 0.00 175.10 175.52 1pkq s LEU 135 N 1.35 3.00 -0.45 0.00 2.96 0.27 -1.39 118.68 124.42 1pkq s LEU 135 Ca 0.02 -0.31 -0.17 0.00 -0.22 0.00 0.00 54.13 53.45 1pkq s LEU 135 Cb -0.15 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.83 1pkq s LEU 135 CO -0.10 0.05 0.46 -0.76 -1.32 0.00 0.00 176.35 174.67 1pkq s LEU 136 N 1.08 5.05 -0.09 -0.68 1.02 0.92 -1.06 118.68 124.93 1pkq s LEU 136 Ca 0.01 -0.87 -0.20 0.00 0.02 0.00 0.00 54.13 53.09 1pkq s LEU 136 Cb -0.15 -2.34 -0.04 0.00 0.02 0.00 0.00 46.19 43.68 1pkq s LEU 136 CO 0.00 -0.65 0.56 0.21 0.02 0.00 0.00 176.35 176.49 1pkq s ASN 137 N 2.13 6.80 -0.34 2.29 2.47 -0.86 -1.59 114.94 125.85 1pkq s ASN 137 Ca 0.11 0.96 -0.30 0.00 0.42 0.00 0.00 52.86 54.04 1pkq s ASN 137 Cb -0.19 -2.33 0.05 0.00 -1.45 0.00 0.00 41.25 37.32 1pkq s ASN 137 CO 0.12 -0.03 0.50 0.59 -3.72 0.00 0.00 177.10 174.56 1pkq n ASN 138 N 3.65 -5.06 -4.37 -4.21 3.02 -0.73 -1.57 115.26 106.00 1pkq n ASN 138 Ca -0.05 -0.07 -0.25 0.00 -0.03 0.00 0.00 54.58 54.18 1pkq n ASN 138 Cb 0.51 -1.42 -0.09 0.00 -0.61 0.00 0.00 39.78 38.17 1pkq n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1pkq s PHE 139 N -1.23 1.91 -0.28 3.10 -0.71 0.27 -4.59 117.98 116.44 1pkq s PHE 139 Ca 0.29 -1.07 -0.17 0.00 -1.04 0.00 0.00 56.93 54.94 1pkq s PHE 139 Cb -0.03 -1.31 0.12 0.00 -1.21 0.00 0.00 43.02 40.59 1pkq s PHE 139 CO 0.66 -0.06 0.89 -0.47 -1.34 0.00 0.00 175.22 174.90 1pkq s TYR 140 N -3.17 -0.71 0.21 3.49 6.14 -1.08 0.07 117.35 122.30 1pkq s TYR 140 Ca 0.27 1.47 -0.03 0.00 0.64 0.00 0.00 57.07 59.41 1pkq s TYR 140 Cb 0.05 0.43 0.05 0.00 0.42 0.00 0.00 41.96 42.91 1pkq s TYR 140 CO 0.13 -0.35 0.16 -2.30 0.64 0.00 0.00 175.55 173.83 1pkq n PRO 141 N 3.66 -1.72 0.08 4.97 -0.02 -1.26 0.40 135.00 141.10 1pkq n PRO 141 Ca -0.18 -0.26 -0.19 0.00 -2.02 0.00 0.00 63.50 60.85 1pkq n PRO 141 Cb 0.58 -0.27 -0.15 0.00 -0.02 0.00 0.00 33.50 33.64 1pkq n PRO 141 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1pkq h ARG 142 N 0.00 0.32 -6.46 -0.52 2.43 -1.99 -3.45 114.38 104.69 1pkq h ARG 142 Ca -0.06 -0.54 -0.53 0.00 -0.81 0.00 0.00 59.98 58.03 1pkq h ARG 142 Cb 0.20 0.20 0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1pkq h ARG 142 CO 0.04 1.21 0.88 -1.83 -1.51 0.00 0.00 179.97 178.76 1pkq s GLU 143 N -2.61 4.25 -0.29 0.20 1.03 -1.26 -4.96 118.70 115.06 1pkq s GLU 143 Ca -0.09 2.17 -0.18 0.00 0.03 0.00 0.00 54.97 56.89 1pkq s GLU 143 Cb 0.06 -3.46 0.14 0.00 -0.80 0.00 0.00 34.13 30.07 1pkq s GLU 143 CO 0.87 -0.61 1.01 0.00 -1.33 0.00 0.00 175.26 175.20 1pkq s ALA 144 N 2.07 -2.21 0.34 -0.84 0.00 -1.26 -4.71 121.76 115.15 1pkq s ALA 144 Ca 0.68 2.11 -0.24 0.00 0.00 0.00 0.00 51.96 54.52 1pkq s ALA 144 Cb -0.37 -1.66 -0.10 0.00 0.00 0.00 0.00 23.12 20.99 1pkq s ALA 144 CO 0.30 -0.31 0.92 0.15 0.00 0.00 0.00 175.76 176.82 1pkq s LYS 145 N 1.05 4.44 -0.24 0.00 1.02 -0.88 -4.92 119.74 120.22 1pkq s LYS 145 Ca -0.06 1.21 -0.04 0.00 0.02 0.00 0.00 55.97 57.11 1pkq s LYS 145 Cb -0.04 -2.63 0.09 0.00 -0.52 0.00 0.00 37.83 34.73 1pkq s LYS 145 CO -0.13 0.20 0.16 0.08 -0.92 0.00 0.00 175.35 174.75 1pkq s VAL 146 N -1.77 -0.18 -0.08 3.17 1.01 -1.26 -1.35 120.40 119.95 1pkq s VAL 146 Ca 0.53 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1pkq s VAL 146 Cb -0.16 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1pkq s VAL 146 CO 0.20 -0.45 -0.16 -1.58 0.00 0.00 0.00 175.10 173.12 1pkq s GLN 147 N 2.20 2.82 -0.07 2.72 0.74 -0.05 -4.92 119.66 123.09 1pkq s GLN 147 Ca 0.07 -0.73 -0.17 0.00 0.05 0.00 0.00 55.36 54.57 1pkq s GLN 147 Cb -0.16 -2.42 -0.05 0.00 1.10 0.00 0.00 33.01 31.48 1pkq s GLN 147 CO -0.23 0.44 0.45 -1.58 -0.55 0.00 0.00 175.29 173.82 1pkq s TRP 148 N -0.25 3.59 -0.14 1.67 0.52 -1.26 0.84 118.94 123.91 1pkq s TRP 148 Ca 0.01 0.93 -0.00 0.00 0.02 0.00 0.00 56.10 57.05 1pkq s TRP 148 Cb -0.13 -2.46 0.03 0.00 -1.15 0.00 0.00 33.47 29.76 1pkq s TRP 148 CO 0.03 0.33 -0.07 0.15 0.02 0.00 0.00 176.95 177.41 1pkq s LYS 149 N 0.02 1.54 -0.29 4.98 1.02 -0.44 -1.39 119.74 125.19 1pkq s LYS 149 Ca 0.25 -0.42 -0.09 0.00 0.02 0.00 0.00 55.97 55.72 1pkq s LYS 149 Cb -0.16 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.28 1pkq s LYS 149 CO 0.11 -0.35 0.14 0.08 -0.92 0.00 0.00 175.35 174.41 1pkq s VAL 150 N 1.65 4.69 -1.47 3.17 1.01 -0.19 -2.83 120.40 126.43 1pkq s VAL 150 Ca 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1pkq s VAL 150 Cb -0.14 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1pkq s VAL 150 CO -0.08 0.18 0.76 0.47 0.00 0.00 0.00 175.10 176.43 1pkq n ASP 151 N 4.99 -5.56 -0.75 3.32 10.43 0.29 -0.26 116.55 129.01 1pkq n ASP 151 Ca -0.14 -0.43 -0.10 0.00 2.57 0.00 0.00 54.79 56.69 1pkq n ASP 151 Cb 0.50 -4.47 -0.04 0.00 1.84 0.00 0.00 41.12 38.96 1pkq n ASP 151 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1pkq n ASN 152 N -2.63 -4.16 -4.41 -2.24 4.13 -1.26 -5.00 115.26 99.70 1pkq n ASN 152 Ca -0.05 0.24 -0.41 0.00 1.68 0.00 0.00 54.58 56.04 1pkq n ASN 152 Cb 0.58 -2.54 -0.11 0.00 -1.54 0.00 0.00 39.78 36.17 1pkq n ASN 152 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pkq s ALA 153 N -2.36 3.32 0.57 5.41 0.00 0.64 -5.00 121.76 124.34 1pkq s ALA 153 Ca 0.00 -1.65 -0.18 0.00 0.00 0.00 0.00 51.96 50.13 1pkq s ALA 153 Cb 0.00 -2.60 -0.08 0.00 0.00 0.00 0.00 23.12 20.43 1pkq s ALA 153 CO 0.00 -1.30 0.57 1.28 0.00 0.00 0.00 175.76 176.31 1pkq n LEU 154 N 5.02 1.10 -4.70 0.00 4.32 -1.26 -1.02 117.00 120.46 1pkq n LEU 154 Ca -0.12 0.74 -0.26 0.00 -0.02 0.00 0.00 56.01 56.35 1pkq n LEU 154 Cb 0.47 -1.20 -0.08 0.00 -1.62 0.00 0.00 43.42 40.99 1pkq n LEU 154 CO 0.37 -2.93 -0.20 -1.10 -1.22 0.00 0.00 177.39 172.31 1pkq s GLN 155 N -2.17 2.13 -0.14 3.23 -1.52 -0.49 -4.81 119.66 115.90 1pkq s GLN 155 Ca 0.70 -1.97 -0.24 0.00 -1.95 0.00 0.00 55.36 51.90 1pkq s GLN 155 Cb -0.44 -1.85 0.06 0.00 -0.22 0.00 0.00 33.01 30.56 1pkq s GLN 155 CO 0.53 -0.12 0.60 -1.12 -0.25 0.00 0.00 175.29 174.93 1pkq s SER 156 N -3.85 -0.59 -1.61 5.90 0.01 -1.26 -4.87 113.70 107.43 1pkq s SER 156 Ca 0.37 0.91 -0.17 0.00 1.31 0.00 0.00 55.95 58.37 1pkq s SER 156 Cb 0.06 0.89 0.17 0.00 0.21 0.00 0.00 66.02 67.35 1pkq s SER 156 CO 0.20 -0.38 0.43 0.61 0.41 0.00 0.00 173.24 174.52 1pkq n GLY 157 N 1.94 -0.31 0.00 3.44 0.00 -1.26 -4.73 105.19 104.27 1pkq n GLY 157 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1pkq n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pkq n ASN 158 N -2.16 0.30 -3.74 1.61 6.94 -1.26 -5.05 115.26 111.90 1pkq n ASN 158 Ca 0.03 -1.10 -0.12 0.00 -0.02 0.00 0.00 54.58 53.37 1pkq n ASN 158 Cb 0.44 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.75 1pkq n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1pkq s SER 159 N -0.10 -0.38 0.10 0.53 1.04 -1.26 -1.92 113.70 111.71 1pkq s SER 159 Ca 0.00 0.71 0.10 0.00 0.48 0.00 0.00 55.95 57.24 1pkq s SER 159 Cb 0.00 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 1pkq s SER 159 CO 0.00 -0.14 -0.25 0.00 0.98 0.00 0.00 173.24 173.83 1pkq s GLN 160 N 0.51 1.39 0.24 4.02 -2.07 -0.55 -4.90 119.66 118.31 1pkq s GLN 160 Ca -0.03 -1.24 0.10 0.00 -1.82 0.00 0.00 55.36 52.38 1pkq s GLN 160 Cb -0.04 -1.76 -0.04 0.00 -1.09 0.00 0.00 33.01 30.08 1pkq s GLN 160 CO -0.03 0.42 -0.07 -1.83 -1.32 0.00 0.00 175.29 172.47 1pkq s GLU 161 N -1.83 2.12 0.11 9.60 -1.05 -1.26 -0.38 118.70 126.01 1pkq s GLU 161 Ca 0.11 -1.43 0.06 0.00 -0.15 0.00 0.00 54.97 53.56 1pkq s GLU 161 Cb -0.10 -2.09 -0.04 0.00 -0.44 0.00 0.00 34.13 31.46 1pkq s GLU 161 CO 0.05 0.38 -0.14 0.45 0.95 0.00 0.00 175.26 176.95 1pkq s SER 162 N -3.38 1.91 0.11 0.83 0.15 -0.78 -4.97 113.70 107.56 1pkq s SER 162 Ca 0.29 -0.78 0.03 0.00 0.70 0.00 0.00 55.95 56.19 1pkq s SER 162 Cb -0.07 -0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.14 1pkq s SER 162 CO 0.18 -0.14 -0.08 -0.69 1.20 0.00 0.00 173.24 173.71 1pkq s VAL 163 N -2.01 0.87 0.27 4.45 1.01 -1.26 -1.70 120.40 122.04 1pkq s VAL 163 Ca 0.07 -1.96 0.08 0.00 0.00 0.00 0.00 61.98 60.17 1pkq s VAL 163 Cb -0.06 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1pkq s VAL 163 CO 0.03 -0.81 0.15 0.42 0.00 0.00 0.00 175.10 174.89 1pkq s THR 164 N -3.45 4.00 0.73 3.92 -4.23 -1.12 -5.02 115.64 110.48 1pkq s THR 164 Ca 0.13 -1.54 -0.11 0.00 -1.18 0.00 0.00 61.69 58.99 1pkq s THR 164 Cb 0.04 -3.21 0.03 0.00 1.34 0.00 0.00 72.50 70.70 1pkq s THR 164 CO -0.03 -0.33 1.07 -1.61 -0.54 0.00 0.00 174.62 173.19 1pkq s GLU 165 N -3.82 2.62 0.56 3.99 0.41 -1.26 -4.68 118.70 116.52 1pkq s GLU 165 Ca 0.34 1.00 -0.20 0.00 -0.41 0.00 0.00 54.97 55.70 1pkq s GLU 165 Cb -0.07 -1.95 -0.07 0.00 -1.78 0.00 0.00 34.13 30.26 1pkq s GLU 165 CO 0.24 -1.34 0.89 1.04 -0.49 0.00 0.00 175.26 175.60 1pkq n GLN 166 N -3.30 0.92 -2.32 1.61 6.02 -1.26 -4.81 117.38 114.24 1pkq n GLN 166 Ca 0.08 0.35 -0.40 0.00 -0.01 0.00 0.00 57.00 57.02 1pkq n GLN 166 Cb 0.54 -2.06 -0.03 0.00 1.02 0.00 0.00 30.24 29.71 1pkq n GLN 166 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1pkq s ASP 167 N -1.12 6.94 -0.06 1.08 3.68 -0.47 -4.84 116.67 121.88 1pkq s ASP 167 Ca 0.72 2.42 0.05 0.00 2.13 0.00 0.00 52.55 57.87 1pkq s ASP 167 Cb -0.45 -2.63 0.26 0.00 -1.45 0.00 0.00 42.92 38.65 1pkq s ASP 167 CO 0.50 -0.39 0.98 -1.54 0.13 0.00 0.00 175.17 174.86 1pkq n SER 168 N 0.80 2.31 0.00 -0.34 3.41 -1.26 -1.54 113.62 116.99 1pkq n SER 168 Ca 0.00 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 1pkq n SER 168 Cb 0.44 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1pkq n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pkq n LYS 169 N 0.21 0.85 0.00 4.33 5.02 -1.26 -3.22 118.16 124.09 1pkq n LYS 169 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1pkq n LYS 169 Cb 0.49 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 1pkq n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1pkq n ASP 170 N -1.77 0.95 -3.01 4.39 3.85 -1.25 -4.91 116.55 114.79 1pkq n ASP 170 Ca 0.00 -1.28 -0.21 0.00 -0.71 0.00 0.00 54.79 52.58 1pkq n ASP 170 Cb 0.28 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.06 1pkq n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1pkq n SER 171 N -0.14 -5.01 -4.99 -1.12 7.64 -0.59 -4.89 113.62 104.52 1pkq n SER 171 Ca 0.00 -0.24 -0.23 0.00 1.01 0.00 0.00 58.87 59.41 1pkq n SER 171 Cb 0.19 -4.11 0.04 0.00 -1.01 0.00 0.00 64.21 59.32 1pkq n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1pkq s THR 172 N -3.01 1.83 0.35 0.44 -4.23 -1.26 -4.48 115.64 105.28 1pkq s THR 172 Ca 0.27 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.64 1pkq s THR 172 Cb -0.13 -2.04 -0.07 0.00 1.34 0.00 0.00 72.50 71.60 1pkq s THR 172 CO 0.34 0.00 -0.01 -0.31 -0.54 0.00 0.00 174.62 174.09 1pkq s TYR 173 N -2.75 2.23 -0.16 3.99 1.51 0.11 -1.37 117.35 120.93 1pkq s TYR 173 Ca 0.50 -0.72 -0.07 0.00 -1.01 0.00 0.00 57.07 55.77 1pkq s TYR 173 Cb -0.04 -1.44 0.07 0.00 -0.11 0.00 0.00 41.96 40.44 1pkq s TYR 173 CO 0.32 0.33 0.35 -1.12 -1.11 0.00 0.00 175.55 174.31 1pkq s SER 174 N -3.58 -0.18 -0.03 2.29 0.01 -1.26 0.93 113.70 111.89 1pkq s SER 174 Ca 0.34 0.78 0.04 0.00 1.31 0.00 0.00 55.95 58.41 1pkq s SER 174 Cb 0.07 0.84 -0.03 0.00 0.21 0.00 0.00 66.02 67.11 1pkq s SER 174 CO 0.16 -0.21 -0.14 -0.22 0.41 0.00 0.00 173.24 173.24 1pkq s LEU 175 N 1.95 2.79 -0.31 2.44 0.20 -0.62 -2.78 118.68 122.36 1pkq s LEU 175 Ca -0.05 -0.22 0.03 0.00 0.69 0.00 0.00 54.13 54.58 1pkq s LEU 175 Cb -0.11 -1.59 0.09 0.00 -0.43 0.00 0.00 46.19 44.15 1pkq s LEU 175 CO -0.11 0.32 0.00 -0.94 -0.29 0.00 0.00 176.35 175.34 1pkq s SER 176 N -0.97 4.51 -0.46 3.68 1.04 -0.69 -0.05 113.70 120.75 1pkq s SER 176 Ca 0.13 -1.81 -0.19 0.00 0.48 0.00 0.00 55.95 54.57 1pkq s SER 176 Cb -0.11 -1.48 0.04 0.00 0.10 0.00 0.00 66.02 64.58 1pkq s SER 176 CO 0.02 -0.32 0.56 -0.55 0.98 0.00 0.00 173.24 173.93 1pkq s SER 177 N 1.08 6.23 -0.31 7.02 0.15 -0.49 -1.87 113.70 125.52 1pkq s SER 177 Ca 0.04 -0.75 -0.14 0.00 0.70 0.00 0.00 55.95 55.80 1pkq s SER 177 Cb -0.19 -2.27 -0.03 0.00 -1.71 0.00 0.00 66.02 61.82 1pkq s SER 177 CO -0.09 -0.76 0.34 -0.89 1.20 0.00 0.00 173.24 173.04 1pkq s THR 178 N 2.46 5.19 -0.37 6.45 2.01 0.49 -2.29 115.64 129.58 1pkq s THR 178 Ca 0.15 0.26 -0.17 0.00 0.31 0.00 0.00 61.69 62.24 1pkq s THR 178 Cb -0.18 -3.73 -0.00 0.00 0.01 0.00 0.00 72.50 68.60 1pkq s THR 178 CO 0.14 0.05 0.42 -0.22 -0.69 0.00 0.00 174.62 174.32 1pkq s LEU 179 N 2.00 4.53 -0.12 4.42 2.96 0.28 -1.48 118.68 131.27 1pkq s LEU 179 Ca 0.12 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1pkq s LEU 179 Cb -0.16 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1pkq s LEU 179 CO 0.11 -0.45 0.07 -0.89 -1.32 0.00 0.00 176.35 173.87 1pkq s THR 180 N 2.16 4.91 0.25 3.68 2.01 -0.81 0.82 115.64 128.65 1pkq s THR 180 Ca 0.14 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.15 1pkq s THR 180 Cb -0.16 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.20 1pkq s THR 180 CO 0.13 0.57 0.27 0.18 -0.69 0.00 0.00 174.62 175.08 1pkq n LEU 181 N 2.45 0.00 -4.94 4.42 4.77 0.22 -4.80 117.00 119.12 1pkq n LEU 181 Ca -0.19 -2.22 -0.26 0.00 -0.03 0.00 0.00 56.01 53.31 1pkq n LEU 181 Cb 0.54 1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 43.08 1pkq n LEU 181 CO 0.31 -0.42 -0.07 -0.94 -1.33 0.00 0.00 177.39 174.94 1pkq s SER 182 N -2.66 6.35 0.24 -1.43 1.04 -1.26 0.64 113.70 116.63 1pkq s SER 182 Ca 0.26 0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.85 1pkq s SER 182 Cb 0.01 -1.93 0.26 0.00 0.10 0.00 0.00 66.02 64.45 1pkq s SER 182 CO 0.18 0.03 1.91 0.50 0.98 0.00 0.00 173.24 176.84 1pkq h LYS 183 N 2.10 1.21 -0.33 4.02 3.64 -0.17 0.81 116.57 127.85 1pkq h LYS 183 Ca -0.48 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 58.86 1pkq h LYS 183 Cb 1.19 -0.27 -0.07 0.00 -0.41 0.00 0.00 32.23 32.67 1pkq h LYS 183 CO 0.68 0.80 -0.48 0.00 -2.27 0.00 0.00 179.45 178.18 1pkq h ALA 184 N 1.36 -0.73 -0.21 5.00 0.00 -1.94 -0.95 119.26 121.80 1pkq h ALA 184 Ca 0.36 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.10 1pkq h ALA 184 Cb -0.09 1.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1pkq h ALA 184 CO -0.09 -0.96 -0.53 -0.44 0.00 0.00 0.00 179.25 177.23 1pkq h ASP 185 N -0.36 0.66 -0.95 0.00 3.32 -1.69 -3.06 116.42 114.33 1pkq h ASP 185 Ca 0.06 -0.34 0.16 0.00 0.02 0.00 0.00 57.03 56.93 1pkq h ASP 185 Cb 0.52 -0.19 -0.10 0.00 0.22 0.00 0.00 39.33 39.78 1pkq h ASP 185 CO -0.50 1.06 0.56 0.22 -1.72 0.00 0.00 179.24 178.86 1pkq h TYR 186 N 0.46 0.98 -0.56 4.55 -0.00 0.14 -0.01 116.97 122.53 1pkq h TYR 186 Ca 0.01 0.03 -0.21 0.00 -0.00 0.00 0.00 58.73 58.57 1pkq h TYR 186 Cb 1.08 -0.29 -0.12 0.00 -0.00 0.00 0.00 36.73 37.39 1pkq h TYR 186 CO 0.05 0.26 0.26 0.39 -0.00 0.00 0.00 178.16 179.12 1pkq n GLU 187 N -4.77 2.56 0.00 1.82 1.02 -0.43 -3.84 120.64 117.00 1pkq n GLU 187 Ca 0.20 -2.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.28 1pkq n GLU 187 Cb 0.48 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1pkq n GLU 187 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1pkq n LYS 188 N -0.19 0.61 -4.24 3.49 4.81 -0.02 -5.04 118.16 117.59 1pkq n LYS 188 Ca 0.32 -0.85 -0.13 0.00 -0.87 0.00 0.00 58.31 56.77 1pkq n LYS 188 Cb 1.13 -0.95 -0.10 0.00 0.02 0.00 0.00 35.03 35.13 1pkq n LYS 188 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1pkq s HIS 189 N -0.38 1.20 -0.20 5.64 0.09 -1.24 -5.08 115.29 115.32 1pkq s HIS 189 Ca 0.00 -0.99 -0.04 0.00 -0.00 0.00 0.00 55.06 54.03 1pkq s HIS 189 Cb 0.00 -0.68 -0.11 0.00 -0.00 0.00 0.00 32.58 31.79 1pkq s HIS 189 CO 0.00 -0.18 -0.21 1.17 -0.00 0.00 0.00 174.74 175.52 1pkq n LYS 190 N -0.23 0.45 -3.91 1.40 0.00 -1.26 -4.99 118.16 109.62 1pkq n LYS 190 Ca -0.07 0.15 -0.35 0.00 0.00 0.00 0.00 58.31 58.04 1pkq n LYS 190 Cb 0.63 -1.30 -0.14 0.00 0.00 0.00 0.00 35.03 34.22 1pkq n LYS 190 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1pkq s VAL 191 N -2.37 3.33 -0.07 3.15 1.01 -1.26 -3.95 120.40 120.23 1pkq s VAL 191 Ca -0.27 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1pkq s VAL 191 Cb 0.09 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1pkq s VAL 191 CO 0.40 0.39 -0.07 -0.31 0.00 0.00 0.00 175.10 175.51 1pkq s TYR 192 N 1.47 2.93 0.01 5.22 2.02 -0.91 0.11 117.35 128.19 1pkq s TYR 192 Ca 0.05 0.00 -0.29 0.00 -0.37 0.00 0.00 57.07 56.47 1pkq s TYR 192 Cb -0.14 -1.72 0.10 0.00 -0.40 0.00 0.00 41.96 39.80 1pkq s TYR 192 CO -0.03 0.31 0.94 0.00 -1.57 0.00 0.00 175.55 175.20 1pkq s ALA 193 N -0.76 -1.83 -0.03 3.71 0.00 -1.13 -0.49 121.76 121.22 1pkq s ALA 193 Ca 0.12 0.88 0.03 0.00 0.00 0.00 0.00 51.96 52.99 1pkq s ALA 193 Cb -0.11 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1pkq s ALA 193 CO 0.01 -0.76 -0.13 0.00 0.00 0.00 0.00 175.76 174.88 1pkq s GLU 195 N 0.14 3.51 -0.16 0.00 2.02 0.25 -2.25 118.70 122.20 1pkq s GLU 195 Ca -0.04 -0.61 -0.08 0.00 0.02 0.00 0.00 54.97 54.27 1pkq s GLU 195 Cb -0.10 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 1pkq s GLU 195 CO 0.01 -0.34 0.12 0.08 0.02 0.00 0.00 175.26 175.15 1pkq s VAL 196 N 1.65 5.29 -0.22 2.63 1.01 -0.06 -0.87 120.40 129.82 1pkq s VAL 196 Ca 0.05 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1pkq s VAL 196 Cb -0.17 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 32.90 1pkq s VAL 196 CO 0.07 0.51 -0.08 -0.89 0.00 0.00 0.00 175.10 174.71 1pkq s THR 197 N -0.19 1.61 0.15 3.92 2.01 -0.45 -1.70 115.64 120.98 1pkq s THR 197 Ca 0.10 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 60.99 1pkq s THR 197 Cb -0.12 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 1pkq s THR 197 CO 0.01 0.05 0.00 -2.28 -0.69 0.00 0.00 174.62 171.71 1pkq s HIS 198 N 1.39 1.04 0.10 4.92 2.46 -1.26 -2.07 115.29 121.86 1pkq s HIS 198 Ca -0.04 -1.06 0.32 0.00 0.47 0.00 0.00 55.06 54.75 1pkq s HIS 198 Cb -0.17 -0.60 1.29 0.00 -0.13 0.00 0.00 32.58 32.97 1pkq s HIS 198 CO -0.07 -0.29 1.96 0.37 -2.47 0.00 0.00 174.74 174.24 1pkq h GLN 199 N 2.80 0.00 -0.08 2.88 4.15 -1.89 -2.52 115.11 120.45 1pkq h GLN 199 Ca -0.36 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.06 1pkq h GLN 199 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1pkq h GLN 199 CO 0.62 0.03 0.00 0.41 -1.93 0.00 0.00 178.83 177.96 1pkq n GLY 200 N 0.07 0.35 3.30 2.39 0.00 -1.26 -4.78 105.19 105.26 1pkq n GLY 200 Ca 0.01 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 1pkq n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pkq s LEU 201 N -1.85 3.71 0.27 0.99 1.43 -0.95 -4.60 118.68 117.67 1pkq s LEU 201 Ca 0.35 -0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1pkq s LEU 201 Cb 0.20 -1.82 0.56 0.00 0.03 0.00 0.00 46.19 45.16 1pkq s LEU 201 CO 0.31 -0.18 1.76 0.28 0.23 0.00 0.00 176.35 178.75 1pkq h SER 202 N 8.17 0.55 -4.81 2.29 0.02 -1.86 -3.43 113.55 114.47 1pkq h SER 202 Ca -0.31 0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 60.54 1pkq h SER 202 Cb 1.12 0.01 -0.22 0.00 0.14 0.00 0.00 62.40 63.45 1pkq h SER 202 CO 0.59 0.22 -0.71 -0.55 -1.14 0.00 0.00 176.83 175.24 1pkq s SER 203 N -5.42 0.30 0.23 3.07 0.15 -1.26 -5.12 113.70 105.64 1pkq s SER 203 Ca -0.12 -0.45 -0.29 0.00 0.70 0.00 0.00 55.95 55.79 1pkq s SER 203 Cb 0.22 0.08 -0.16 0.00 -1.71 0.00 0.00 66.02 64.45 1pkq s SER 203 CO 0.78 -0.25 0.77 -2.65 1.20 0.00 0.00 173.24 173.09 1pkq n PRO 204 N 1.75 0.60 -4.04 5.44 -0.02 -1.26 -4.95 135.00 132.51 1pkq n PRO 204 Ca -0.22 0.21 -0.34 0.00 -2.02 0.00 0.00 63.50 61.13 1pkq n PRO 204 Cb 0.55 -1.41 -0.06 0.00 -0.02 0.00 0.00 33.50 32.56 1pkq n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pkq s VAL 205 N -0.93 4.96 -0.01 -1.45 1.01 -0.69 -4.95 120.40 118.35 1pkq s VAL 205 Ca 0.63 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.37 1pkq s VAL 205 Cb -0.85 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 1pkq s VAL 205 CO 0.57 0.38 -0.11 -0.89 0.00 0.00 0.00 175.10 175.05 1pkq s THR 206 N -1.19 0.90 -0.03 3.92 2.01 -1.26 -0.88 115.64 119.09 1pkq s THR 206 Ca 0.23 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1pkq s THR 206 Cb -0.12 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.66 1pkq s THR 206 CO 0.14 0.24 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.73 1pkq s LYS 207 N -0.31 0.62 0.02 4.92 -0.14 -0.95 -5.00 119.74 118.90 1pkq s LYS 207 Ca 0.04 -0.06 -0.16 0.00 -1.36 0.00 0.00 55.97 54.43 1pkq s LYS 207 Cb -0.05 -0.67 0.03 0.00 -1.68 0.00 0.00 37.83 35.46 1pkq s LYS 207 CO -0.00 -0.08 0.36 -1.54 -0.76 0.00 0.00 175.35 173.33 1pkq s SER 208 N 0.83 -0.22 -0.08 2.83 1.04 -1.26 -1.41 113.70 115.43 1pkq s SER 208 Ca -0.10 -0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.29 1pkq s SER 208 Cb -0.13 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.40 1pkq s SER 208 CO -0.00 -0.58 0.04 0.72 0.98 0.00 0.00 173.24 174.39 1pkq s PHE 209 N -2.13 0.40 -2.00 5.02 -0.12 0.35 -4.98 117.98 114.52 1pkq s PHE 209 Ca -0.08 -0.06 0.16 0.00 -0.05 0.00 0.00 56.93 56.89 1pkq s PHE 209 Cb -0.02 -0.68 0.93 0.00 -0.63 0.00 0.00 43.02 42.62 1pkq s PHE 209 CO -0.00 -0.31 1.34 0.27 -0.05 0.00 0.00 175.22 176.46