#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 5.40 0.03 0.53 1.01 -1.26 -4.98 121.20 121.93 1pkq s ILE 2 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.98 1pkq s ILE 2 Cb 0.00 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1pkq s ILE 2 CO 0.00 0.50 0.07 -1.61 0.00 0.00 0.00 174.94 173.90 1pkq s GLU 3 N -0.22 2.95 -0.12 2.79 2.02 -1.26 -4.75 118.70 120.11 1pkq s GLU 3 Ca 0.13 -0.59 0.02 0.00 0.02 0.00 0.00 54.97 54.56 1pkq s GLU 3 Cb -0.12 -2.78 0.01 0.00 0.10 0.00 0.00 34.13 31.34 1pkq s GLU 3 CO 0.02 0.61 -0.18 -0.51 0.02 0.00 0.00 175.26 175.22 1pkq s LEU 4 N -1.99 1.88 -0.31 1.80 1.02 -1.26 -2.19 118.68 117.63 1pkq s LEU 4 Ca 0.25 -0.49 -0.07 0.00 0.02 0.00 0.00 54.13 53.84 1pkq s LEU 4 Cb -0.12 -1.23 0.02 0.00 0.02 0.00 0.00 46.19 44.88 1pkq s LEU 4 CO 0.17 0.05 0.09 -0.89 0.02 0.00 0.00 176.35 175.78 1pkq s THR 5 N 0.89 3.96 0.02 5.49 2.01 -1.06 -4.04 115.64 122.92 1pkq s THR 5 Ca -0.07 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.08 1pkq s THR 5 Cb -0.15 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 1pkq s THR 5 CO -0.01 0.01 0.26 -1.10 -0.69 0.00 0.00 174.62 173.10 1pkq s GLN 6 N 1.48 3.56 -0.22 4.92 -0.21 -1.26 -1.30 119.66 126.64 1pkq s GLN 6 Ca 0.02 -0.13 -0.27 0.00 0.02 0.00 0.00 55.36 55.00 1pkq s GLN 6 Cb -0.18 -3.06 0.10 0.00 1.00 0.00 0.00 33.01 30.87 1pkq s GLN 6 CO 0.03 0.63 0.86 -1.54 -2.12 0.00 0.00 175.29 173.15 1pkq s SER 7 N -1.85 -0.57 0.98 5.90 1.04 -0.66 -4.42 113.70 114.11 1pkq s SER 7 Ca 0.29 0.95 -0.11 0.00 0.48 0.00 0.00 55.95 57.56 1pkq s SER 7 Cb -0.13 0.91 0.18 0.00 0.10 0.00 0.00 66.02 67.08 1pkq s SER 7 CO 0.18 -0.30 1.09 -2.84 0.98 0.00 0.00 173.24 172.35 1pkq s PRO 8 N -0.19 0.55 0.25 4.02 0.02 -1.26 0.06 135.00 138.45 1pkq s PRO 8 Ca -0.01 1.09 0.24 0.00 0.02 0.00 0.00 61.00 62.34 1pkq s PRO 8 Cb -0.03 -1.71 0.96 0.00 0.02 0.00 0.00 34.50 33.74 1pkq s PRO 8 CO 0.00 -2.81 1.73 -1.13 -0.33 0.00 0.00 177.00 174.46 1pkq n SER 9 N -4.31 0.70 0.00 2.53 3.41 -1.26 -4.57 113.62 110.12 1pkq n SER 9 Ca 0.07 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 1pkq n SER 9 Cb 0.54 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.25 0.00 -3.81 4.04 3.41 -1.26 -2.28 113.62 111.47 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 0.26 0.00 -0.07 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 1.19 -0.05 1.04 2.34 -0.55 -4.92 118.68 117.73 1pkq s LEU 11 Ca 0.00 -0.52 0.05 0.00 0.06 0.00 0.00 54.13 53.72 1pkq s LEU 11 Cb 0.00 1.19 -0.01 0.00 -0.56 0.00 0.00 46.19 46.82 1pkq s LEU 11 CO 0.00 -0.72 -0.20 0.00 -1.06 0.00 0.00 176.35 174.37 1pkq s ALA 12 N -3.57 1.75 0.26 1.48 0.00 -1.26 -1.23 121.76 119.18 1pkq s ALA 12 Ca 0.02 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1pkq s ALA 12 Cb 0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1pkq s ALA 12 CO -0.10 0.32 0.18 0.14 0.00 0.00 0.00 175.76 176.30 1pkq s VAL 13 N -0.02 0.09 0.30 0.00 -7.23 -1.08 -4.86 120.40 107.59 1pkq s VAL 13 Ca -0.04 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.20 1pkq s VAL 13 Cb -0.12 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1pkq s VAL 13 CO 0.03 0.00 0.27 -0.44 -0.31 0.00 0.00 175.10 174.65 1pkq s SER 14 N -3.27 5.47 0.19 4.85 0.01 -1.26 -0.07 113.70 119.62 1pkq s SER 14 Ca 0.39 -0.35 -0.33 0.00 1.31 0.00 0.00 55.95 56.97 1pkq s SER 14 Cb 0.05 -1.20 -0.13 0.00 0.21 0.00 0.00 66.02 64.95 1pkq s SER 14 CO 0.18 -0.22 1.67 0.00 0.41 0.00 0.00 173.24 175.28 1pkq n ALA 15 N -1.32 2.29 0.00 1.44 0.00 -1.26 -2.18 120.51 119.48 1pkq n ALA 15 Ca -0.04 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1pkq n ALA 15 Cb 0.59 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 3.76 1.77 3.84 0.00 0.00 0.49 -4.93 105.19 110.13 1pkq n GLY 16 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.92 3.18 0.14 1.61 2.02 -0.93 -4.27 118.70 119.53 1pkq s GLU 17 Ca 0.00 0.84 -0.18 0.00 0.02 0.00 0.00 54.97 55.65 1pkq s GLU 17 Cb 0.00 -2.03 -0.07 0.00 0.10 0.00 0.00 34.13 32.13 1pkq s GLU 17 CO 0.00 -0.89 0.61 0.21 0.02 0.00 0.00 175.26 175.20 1pkq s LYS 18 N -5.12 4.16 0.04 1.61 2.20 -1.18 -0.33 119.74 121.12 1pkq s LYS 18 Ca 0.57 0.71 0.04 0.00 -0.36 0.00 0.00 55.97 56.93 1pkq s LYS 18 Cb -0.13 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.12 1pkq s LYS 18 CO 0.54 0.53 -0.13 0.54 -0.36 0.00 0.00 175.35 176.47 1pkq s VAL 19 N -1.32 1.02 -0.06 4.02 0.11 -0.32 -4.97 120.40 118.88 1pkq s VAL 19 Ca 0.35 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 1pkq s VAL 19 Cb -0.18 -0.93 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 1pkq s VAL 19 CO 0.20 -0.01 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.03 1pkq s THR 20 N -0.84 0.56 -0.08 5.04 2.01 -1.26 -0.40 115.64 120.67 1pkq s THR 20 Ca 0.01 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.94 1pkq s THR 20 Cb -0.08 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1pkq s THR 20 CO 0.01 0.25 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.04 1pkq s MET 21 N 1.28 2.88 0.00 4.92 -1.94 0.27 -4.75 119.30 121.95 1pkq s MET 21 Ca -0.05 -0.65 -0.02 0.00 -1.71 0.00 0.00 55.69 53.26 1pkq s MET 21 Cb -0.14 -2.53 -0.04 0.00 2.01 0.00 0.00 34.83 34.13 1pkq s MET 21 CO -0.02 0.50 0.19 0.45 -0.01 0.00 0.00 175.02 176.12 1pkq s SER 22 N -0.38 6.35 -0.24 3.03 0.15 0.11 -0.42 113.70 122.30 1pkq s SER 22 Ca 0.05 0.33 -0.05 0.00 0.70 0.00 0.00 55.95 56.97 1pkq s SER 22 Cb -0.12 -1.98 0.12 0.00 -1.71 0.00 0.00 66.02 62.32 1pkq s SER 22 CO 0.02 0.24 0.45 0.00 1.20 0.00 0.00 173.24 175.15 1pkq s LYS 24 N 2.65 2.28 0.35 0.00 1.02 -0.42 -2.28 119.74 123.34 1pkq s LYS 24 Ca 0.06 -0.91 -0.25 0.00 0.02 0.00 0.00 55.97 54.89 1pkq s LYS 24 Cb -0.14 -2.50 -0.10 0.00 -0.52 0.00 0.00 37.83 34.57 1pkq s LYS 24 CO -0.15 -0.39 0.98 0.45 -0.92 0.00 0.00 175.35 175.31 1pkq s SER 25 N 1.33 7.14 0.30 2.83 0.15 0.71 -2.57 113.70 123.59 1pkq s SER 25 Ca -0.01 1.88 0.26 0.00 0.70 0.00 0.00 55.95 58.78 1pkq s SER 25 Cb -0.16 -2.58 0.79 0.00 -1.71 0.00 0.00 66.02 62.36 1pkq s SER 25 CO -0.09 -0.21 1.75 0.77 1.20 0.00 0.00 173.24 176.66 1pkq h SER 26 N 2.88 0.00 -4.54 5.45 4.64 -1.74 -3.45 113.55 116.79 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 63.15 1pkq h SER 26 CO 0.64 0.00 -0.56 -1.10 -0.87 0.00 0.00 176.83 174.94 1pkq s GLN 27 N -3.21 1.60 0.41 4.77 -0.21 -1.26 -4.97 119.66 116.79 1pkq s GLN 27 Ca 0.08 -1.91 -0.22 0.00 0.02 0.00 0.00 55.36 53.32 1pkq s GLN 27 Cb 0.10 -0.18 -0.10 0.00 1.00 0.00 0.00 33.01 33.83 1pkq s GLN 27 CO 0.57 -0.42 0.99 0.45 -2.12 0.00 0.00 175.29 174.75 1pkq s SER 28 N -3.39 6.87 -0.27 5.90 0.15 -1.26 -4.65 113.70 117.05 1pkq s SER 28 Ca 0.35 1.84 0.10 0.00 0.70 0.00 0.00 55.95 58.94 1pkq s SER 28 Cb 0.05 -2.56 0.46 0.00 -1.71 0.00 0.00 66.02 62.26 1pkq s SER 28 CO 0.17 -0.41 1.18 0.18 1.20 0.00 0.00 173.24 175.56 1pkq n LEU 29 N -0.35 4.07 -4.62 3.45 4.77 -1.26 -5.02 117.00 118.04 1pkq n LEU 29 Ca 0.06 -4.32 -0.36 0.00 -0.03 0.00 0.00 56.01 51.36 1pkq n LEU 29 Cb 0.52 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 1pkq n LEU 29 CO 0.41 1.82 -0.21 -0.22 -1.33 0.00 0.00 177.39 177.86 1pkq s LEU 30 N -3.49 3.94 -0.14 2.23 2.96 -1.26 0.16 118.68 123.07 1pkq s LEU 30 Ca 0.45 0.06 -0.20 0.00 -0.22 0.00 0.00 54.13 54.22 1pkq s LEU 30 Cb 0.39 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1pkq s LEU 30 CO 0.01 0.08 0.56 0.21 -1.32 0.00 0.00 176.35 175.89 1pkq s ASN 30 N 0.95 6.72 0.20 3.68 3.84 0.14 -4.94 114.94 125.54 1pkq s ASN 30 Ca 0.06 0.87 0.00 0.00 0.21 0.00 0.00 52.86 54.00 1pkq s ASN 30 Cb -0.13 -2.33 0.14 0.00 -0.55 0.00 0.00 41.25 38.38 1pkq s ASN 30 CO 0.03 -0.12 1.50 0.28 -2.79 0.00 0.00 177.10 176.00 1pkq h SER 30 N 7.03 0.45 0.19 -4.21 0.02 -1.96 0.33 113.55 115.40 1pkq h SER 30 Ca -0.37 -0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.24 1pkq h SER 30 Cb 1.17 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1pkq h SER 30 CO 0.76 0.97 -0.29 1.23 -1.14 0.00 0.00 176.83 178.35 1pkq h GLY 30 N 1.28 0.17 0.39 -3.77 0.00 -1.97 -3.00 103.07 96.18 1pkq h GLY 30 Ca -0.01 -0.13 -0.29 0.00 0.00 0.00 0.00 47.33 46.90 1pkq h GLY 30 CO 0.11 0.12 -2.05 0.70 0.00 0.00 0.00 176.54 175.42 1pkq n ASN 30 N -4.15 0.35 -2.84 0.19 3.02 -1.21 -4.96 115.26 105.65 1pkq n ASN 30 Ca -0.01 0.16 -0.14 0.00 -0.03 0.00 0.00 54.58 54.56 1pkq n ASN 30 Cb 0.37 0.69 0.07 0.00 -0.61 0.00 0.00 39.78 40.30 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 -2.81 -5.21 -4.08 3.52 6.02 0.11 -5.01 117.38 109.93 1pkq n GLN 30 Ca -0.23 0.64 -0.15 0.00 -0.01 0.00 0.00 57.00 57.25 1pkq n GLN 30 Cb 1.04 -5.05 -0.14 0.00 1.02 0.00 0.00 30.24 27.11 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 -5.21 0.32 -0.45 -1.09 1.02 -0.92 -4.96 119.74 108.44 1pkq s LYS 30 Ca 0.08 -0.18 -0.24 0.00 0.02 0.00 0.00 55.97 55.65 1pkq s LYS 30 Cb -0.04 -0.29 0.03 0.00 -0.52 0.00 0.00 37.83 37.01 1pkq s LYS 30 CO 0.55 0.08 0.83 -0.80 -0.92 0.00 0.00 175.35 175.09 1pkq s ASN 31 N -0.20 6.44 -1.29 2.83 0.01 -1.26 -0.68 114.94 120.79 1pkq s ASN 31 Ca 0.00 -0.05 -0.19 0.00 -0.71 0.00 0.00 52.86 51.92 1pkq s ASN 31 Cb -0.02 -2.40 0.05 0.00 0.41 0.00 0.00 41.25 39.28 1pkq s ASN 31 CO -0.00 -0.96 1.77 -1.22 -1.51 0.00 0.00 177.10 175.18 1pkq n TYR 32 N 6.85 4.39 -4.56 2.20 4.01 0.41 -1.99 117.16 128.48 1pkq n TYR 32 Ca 0.03 -2.65 -0.24 0.00 -0.16 0.00 0.00 57.90 54.88 1pkq n TYR 32 Cb 0.48 -2.64 -0.14 0.00 -0.31 0.00 0.00 39.34 36.74 1pkq n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1pkq s LEU 33 N 5.13 2.17 0.05 7.72 2.96 -1.26 -1.39 118.68 134.06 1pkq s LEU 33 Ca 0.56 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 1pkq s LEU 33 Cb 0.03 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.82 1pkq s LEU 33 CO 0.09 0.13 -0.12 0.00 -1.32 0.00 0.00 176.35 175.12 1pkq s ALA 34 N -0.83 1.02 -0.15 5.97 0.00 -0.74 -1.17 121.76 125.87 1pkq s ALA 34 Ca 0.06 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1pkq s ALA 34 Cb -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1pkq s ALA 34 CO 0.02 0.15 -0.18 -1.58 0.00 0.00 0.00 175.76 174.17 1pkq s TRP 35 N -1.05 2.75 0.07 0.00 0.52 -0.37 0.86 118.94 121.72 1pkq s TRP 35 Ca -0.02 -1.17 0.08 0.00 0.02 0.00 0.00 56.10 55.01 1pkq s TRP 35 Cb -0.09 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 1pkq s TRP 35 CO 0.01 -0.54 -0.17 0.71 0.02 0.00 0.00 176.95 176.99 1pkq s TYR 36 N 0.85 2.57 -0.14 -1.98 1.51 0.16 -0.76 117.35 119.55 1pkq s TYR 36 Ca -0.05 -0.25 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1pkq s TYR 36 Cb -0.15 -1.42 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1pkq s TYR 36 CO -0.01 0.32 -0.06 -1.14 -1.11 0.00 0.00 175.55 173.54 1pkq s GLN 37 N -1.75 3.56 -0.25 -0.62 0.74 0.13 -1.32 119.66 120.15 1pkq s GLN 37 Ca 0.16 -0.56 0.00 0.00 0.05 0.00 0.00 55.36 55.02 1pkq s GLN 37 Cb -0.11 -2.83 0.07 0.00 1.10 0.00 0.00 33.01 31.24 1pkq s GLN 37 CO 0.08 0.26 -0.01 -1.14 -0.55 0.00 0.00 175.29 173.93 1pkq s GLN 38 N 0.29 1.35 0.49 1.67 0.74 0.78 0.98 119.66 125.96 1pkq s GLN 38 Ca -0.05 -1.00 -0.10 0.00 0.05 0.00 0.00 55.36 54.26 1pkq s GLN 38 Cb -0.14 -2.50 -0.05 0.00 1.10 0.00 0.00 33.01 31.41 1pkq s GLN 38 CO 0.04 -0.69 0.87 0.15 -0.55 0.00 0.00 175.29 175.11 1pkq s LYS 39 N 1.45 3.71 0.21 1.67 1.02 -1.26 -1.09 119.74 125.44 1pkq s LYS 39 Ca -0.02 0.55 -0.32 0.00 0.02 0.00 0.00 55.97 56.20 1pkq s LYS 39 Cb -0.18 -2.27 -0.12 0.00 -0.52 0.00 0.00 37.83 34.73 1pkq s LYS 39 CO -0.09 -0.24 1.67 -2.30 -0.92 0.00 0.00 175.35 173.47 1pkq n PRO 40 N -1.93 2.61 0.00 -1.68 -0.02 -1.26 -3.27 135.00 129.46 1pkq n PRO 40 Ca 0.03 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1pkq n PRO 40 Cb 0.54 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 3.65 2.46 4.04 -1.23 0.00 -1.26 -5.03 105.19 107.82 1pkq n GLY 41 Ca 0.16 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 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 3.04 0.00 0.99 -0.00 -1.20 -5.11 118.68 116.39 1pkq s LEU 42 Ca 0.00 -0.89 -0.13 0.00 -0.00 0.00 0.00 54.13 53.11 1pkq s LEU 42 Cb 0.00 -1.52 0.19 0.00 -0.00 0.00 0.00 46.19 44.87 1pkq s LEU 42 CO 0.00 -1.42 0.77 -2.65 -0.00 0.00 0.00 176.35 173.05 1pkq n PRO 43 N -2.30 -2.07 -2.76 1.48 -0.02 -1.26 -4.70 135.00 123.37 1pkq n PRO 43 Ca 0.17 -1.22 -0.36 0.00 -2.02 0.00 0.00 63.50 60.06 1pkq n PRO 43 Cb 0.62 -1.06 -0.06 0.00 -0.02 0.00 0.00 33.50 32.98 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 -4.73 4.47 -0.00 0.52 0.02 -1.26 -4.46 135.00 129.55 1pkq s PRO 44 Ca 0.48 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.82 1pkq s PRO 44 Cb -0.04 -2.66 -0.04 0.00 0.02 0.00 0.00 34.50 31.79 1pkq s PRO 44 CO 0.36 0.18 0.05 0.21 -0.33 0.00 0.00 177.00 177.47 1pkq s LYS 45 N -2.31 2.95 -0.30 5.54 2.20 0.28 -4.90 119.74 123.20 1pkq s LYS 45 Ca 0.53 -0.54 -0.15 0.00 -0.36 0.00 0.00 55.97 55.45 1pkq s LYS 45 Cb -0.17 -2.78 -0.03 0.00 -1.51 0.00 0.00 37.83 33.34 1pkq s LYS 45 CO 0.22 0.64 0.38 -1.17 -0.36 0.00 0.00 175.35 175.06 1pkq s LEU 46 N -1.68 4.21 -0.23 5.43 2.96 -1.26 0.20 118.68 128.31 1pkq s LEU 46 Ca 0.22 0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 54.02 1pkq s LEU 46 Cb -0.12 -2.40 -0.12 0.00 0.50 0.00 0.00 46.19 44.05 1pkq s LEU 46 CO 0.13 -0.27 -0.15 0.18 -1.32 0.00 0.00 176.35 174.92 1pkq n LEU 47 N 5.39 1.91 -3.85 -0.68 4.77 0.06 -4.63 117.00 119.96 1pkq n LEU 47 Ca -0.08 0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 1pkq n LEU 47 Cb 0.50 -0.86 -0.14 0.00 -2.33 0.00 0.00 43.42 40.59 1pkq n LEU 47 CO 0.39 0.23 -0.33 0.27 -1.33 0.00 0.00 177.39 176.62 1pkq s ILE 48 N -2.49 -0.01 0.28 -0.08 -4.36 -1.15 -0.89 121.20 112.50 1pkq s ILE 48 Ca -0.31 0.02 0.09 0.00 -0.26 0.00 0.00 60.65 60.19 1pkq s ILE 48 Cb 0.09 -0.06 -0.05 0.00 1.25 0.00 0.00 42.46 43.69 1pkq s ILE 48 CO 0.48 0.01 -0.12 -0.72 0.24 0.00 0.00 174.94 174.84 1pkq s TYR 49 N 0.14 2.06 -1.14 1.37 1.13 -0.14 -1.24 117.35 119.53 1pkq s TYR 49 Ca -0.01 -0.55 -0.00 0.00 -1.41 0.00 0.00 57.07 55.10 1pkq s TYR 49 Cb -0.02 -1.07 0.00 0.00 -1.10 0.00 0.00 41.96 39.78 1pkq s TYR 49 CO -0.00 0.46 0.02 0.41 -2.51 0.00 0.00 175.55 173.92 1pkq n GLY 50 N -0.59 -0.18 4.48 5.49 0.00 -0.56 -1.97 105.19 111.87 1pkq n GLY 50 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.72 0.00 -2.74 4.61 0.00 -0.31 -4.39 120.51 115.96 1pkq n ALA 51 Ca -0.15 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 0.50 -2.58 -3.71 0.00 3.41 -1.18 -3.79 113.62 106.26 1pkq n SER 52 Ca 0.00 -3.35 -0.12 0.00 -0.26 0.00 0.00 58.87 55.14 1pkq n SER 52 Cb 0.00 1.81 -0.13 0.00 -0.26 0.00 0.00 64.21 65.63 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 0.50 -0.09 0.05 6.66 2.01 -0.83 -4.96 115.64 118.98 1pkq s THR 53 Ca 0.28 0.15 -0.24 0.00 0.31 0.00 0.00 61.69 62.19 1pkq s THR 53 Cb 0.25 -0.44 -0.06 0.00 0.01 0.00 0.00 72.50 72.26 1pkq s THR 53 CO -0.17 0.06 0.73 -0.13 -0.69 0.00 0.00 174.62 174.43 1pkq s ARG 54 N 1.45 4.47 0.72 4.92 0.52 -1.26 -0.96 118.95 128.80 1pkq s ARG 54 Ca -0.08 1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 56.02 1pkq s ARG 54 Cb -0.10 -3.34 0.03 0.00 0.52 0.00 0.00 34.95 32.05 1pkq s ARG 54 CO -0.10 0.35 1.09 -2.00 0.02 0.00 0.00 175.30 174.66 1pkq s GLU 55 N -0.25 2.56 0.57 3.54 2.56 -0.07 -4.94 118.70 122.67 1pkq s GLU 55 Ca 0.37 1.22 -0.18 0.00 0.00 0.00 0.00 54.97 56.37 1pkq s GLU 55 Cb -0.20 -1.93 -0.08 0.00 2.00 0.00 0.00 34.13 33.92 1pkq s GLU 55 CO 0.22 -1.41 0.68 0.43 -0.56 0.00 0.00 175.26 174.62 1pkq n SER 56 N -3.04 -0.41 0.00 -1.70 7.64 -1.26 -2.49 113.62 112.37 1pkq n SER 56 Ca 0.09 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1pkq n SER 56 Cb 0.53 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 1.61 0.88 3.65 0.23 0.00 -1.26 -4.97 105.19 105.34 1pkq n GLY 57 Ca 0.12 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.61 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 0.18 -1.68 1.61 0.31 -1.04 -4.89 118.33 112.82 1pkq n VAL 58 Ca 0.00 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 1pkq n VAL 58 Cb 0.00 -1.15 -0.01 0.00 -0.91 0.00 0.00 33.84 31.77 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 4.11 2.03 0.06 5.55 -0.02 -1.26 -4.88 135.00 140.59 1pkq n PRO 59 Ca 0.22 0.71 0.06 0.00 -2.02 0.00 0.00 63.50 62.47 1pkq n PRO 59 Cb 0.19 -2.28 0.28 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.96 0.23 0.11 2.55 3.85 -1.26 -1.47 116.55 121.52 1pkq n ASP 60 Ca 0.06 0.59 0.11 0.00 -0.71 0.00 0.00 54.79 54.84 1pkq n ASP 60 Cb 0.35 -0.63 0.47 0.00 -1.35 0.00 0.00 41.12 39.96 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 -1.79 0.15 -3.31 0.11 1.85 -1.26 -4.51 116.66 107.90 1pkq n ARG 61 Ca 0.01 0.44 -0.38 0.00 -1.00 0.00 0.00 57.85 56.92 1pkq n ARG 61 Cb 0.07 -1.83 -0.06 0.00 -1.05 0.00 0.00 32.46 29.59 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 -3.30 3.45 -0.09 2.89 0.40 -0.54 -0.65 117.98 120.13 1pkq s PHE 62 Ca 0.03 0.80 -0.06 0.00 -0.60 0.00 0.00 56.93 57.10 1pkq s PHE 62 Cb 0.08 -2.58 0.03 0.00 0.51 0.00 0.00 43.02 41.07 1pkq s PHE 62 CO 0.33 0.06 0.22 0.95 0.70 0.00 0.00 175.22 177.47 1pkq s THR 63 N 1.04 -0.02 -0.18 0.64 -4.23 -0.34 -4.99 115.64 107.55 1pkq s THR 63 Ca 0.24 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.83 1pkq s THR 63 Cb -0.15 -0.33 0.02 0.00 1.34 0.00 0.00 72.50 73.38 1pkq s THR 63 CO 0.09 0.03 -0.19 -0.83 -0.54 0.00 0.00 174.62 173.18 1pkq s GLY 64 N 0.66 1.37 0.50 3.99 0.00 -1.26 -0.03 107.32 112.54 1pkq s GLY 64 Ca -0.04 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.49 1pkq s GLY 64 CO -0.04 0.31 0.01 -1.35 0.00 0.00 0.00 173.10 172.04 1pkq s SER 65 N 1.31 4.05 0.00 1.64 1.04 -0.10 -3.81 113.70 117.83 1pkq s SER 65 Ca 0.05 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 54.84 1pkq s SER 65 Cb -0.13 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1pkq s SER 65 CO -0.13 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1pkq n GLY 66 N -1.23 1.18 0.00 7.32 0.00 -1.26 -0.92 105.19 110.27 1pkq n GLY 66 Ca -0.18 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.79 -4.94 113.62 112.90 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 -0.38 0.58 0.50 5.00 0.00 -1.26 -2.88 105.19 106.75 1pkq n GLY 68 Ca 0.00 -0.66 0.05 0.00 0.00 0.00 0.00 46.02 45.41 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 0.59 -4.15 2.61 -2.24 -1.26 -4.05 114.28 105.78 1pkq n THR 69 Ca 0.00 -0.80 -0.28 0.00 -2.27 0.00 0.00 64.05 60.71 1pkq n THR 69 Cb 0.00 0.79 -0.17 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.93 2.33 0.34 3.42 -0.00 -1.14 -0.21 116.67 120.49 1pkq s ASP 70 Ca 0.17 -0.38 0.04 0.00 -0.00 0.00 0.00 52.55 52.37 1pkq s ASP 70 Cb 0.10 -0.99 -0.06 0.00 -0.00 0.00 0.00 42.92 41.97 1pkq s ASP 70 CO 0.13 -0.05 0.07 -0.36 -0.00 0.00 0.00 175.17 174.96 1pkq s PHE 71 N 1.34 1.94 -0.20 4.23 0.08 -0.97 -1.89 117.98 122.52 1pkq s PHE 71 Ca -0.00 -1.00 -0.18 0.00 0.12 0.00 0.00 56.93 55.87 1pkq s PHE 71 Cb -0.14 -1.28 0.05 0.00 -0.57 0.00 0.00 43.02 41.09 1pkq s PHE 71 CO -0.06 -0.03 0.52 -0.08 -0.10 0.00 0.00 175.22 175.47 1pkq s THR 72 N -3.27 -0.00 -0.17 0.64 -1.32 -0.10 -3.03 115.64 108.39 1pkq s THR 72 Ca 0.34 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.78 1pkq s THR 72 Cb 0.08 -0.73 -0.03 0.00 -1.51 0.00 0.00 72.50 70.31 1pkq s THR 72 CO 0.15 0.00 -0.02 -0.22 -2.21 0.00 0.00 174.62 172.33 1pkq s LEU 73 N 0.32 3.33 -0.07 9.08 2.96 0.44 -0.92 118.68 133.81 1pkq s LEU 73 Ca -0.00 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1pkq s LEU 73 Cb -0.04 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1pkq s LEU 73 CO 0.00 0.15 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.12 1pkq s THR 74 N 0.49 1.49 -0.40 3.68 2.01 0.96 0.94 115.64 124.80 1pkq s THR 74 Ca -0.02 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.21 1pkq s THR 74 Cb -0.14 -1.31 0.08 0.00 0.01 0.00 0.00 72.50 71.13 1pkq s THR 74 CO 0.02 0.43 0.21 -0.63 -0.69 0.00 0.00 174.62 173.97 1pkq s ILE 75 N 0.47 3.96 0.09 1.82 1.01 0.46 -1.20 121.20 127.81 1pkq s ILE 75 Ca -0.15 -1.45 -0.22 0.00 0.00 0.00 0.00 60.65 58.83 1pkq s ILE 75 Cb -0.16 -3.43 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 1pkq s ILE 75 CO 0.05 -0.46 1.37 0.77 0.00 0.00 0.00 174.94 176.67 1pkq h SER 76 N 8.31 -1.28 -3.19 3.58 4.64 -1.15 -0.84 113.55 123.62 1pkq h SER 76 Ca -0.21 0.17 -0.59 0.00 -0.47 0.00 0.00 61.79 60.69 1pkq h SER 76 Cb 1.08 0.53 -0.40 0.00 -0.31 0.00 0.00 62.40 63.29 1pkq h SER 76 CO 0.71 -0.26 -0.76 -0.55 -0.87 0.00 0.00 176.83 175.10 1pkq s SER 77 N -4.33 3.93 0.59 4.97 0.15 -1.26 -3.12 113.70 114.64 1pkq s SER 77 Ca -0.10 -1.82 -0.18 0.00 0.70 0.00 0.00 55.95 54.55 1pkq s SER 77 Cb 0.06 -0.87 -0.09 0.00 -1.71 0.00 0.00 66.02 63.40 1pkq s SER 77 CO 0.42 -0.39 0.35 0.52 1.20 0.00 0.00 173.24 175.34 1pkq n VAL 78 N 4.60 1.66 -4.32 4.45 0.31 0.56 -4.57 118.33 121.02 1pkq n VAL 78 Ca 0.00 -0.48 -0.17 0.00 -0.01 0.00 0.00 64.34 63.68 1pkq n VAL 78 Cb 0.41 -0.53 -0.10 0.00 -0.91 0.00 0.00 33.84 32.70 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 -1.96 1.27 0.19 5.55 2.00 -1.26 -0.38 119.66 125.07 1pkq s GLN 79 Ca 0.65 -1.57 -0.09 0.00 -2.00 0.00 0.00 55.36 52.35 1pkq s GLN 79 Cb -0.43 -0.93 0.10 0.00 0.80 0.00 0.00 33.01 32.55 1pkq s GLN 79 CO 0.58 0.11 1.70 0.00 -0.50 0.00 0.00 175.29 177.19 1pkq h ALA 80 N 2.59 0.90 0.00 1.58 0.00 -1.92 -2.11 119.26 120.30 1pkq h ALA 80 Ca -0.38 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1pkq h ALA 80 Cb 1.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1pkq h ALA 80 CO 0.63 0.63 0.00 -0.85 0.00 0.00 0.00 179.25 179.66 1pkq n GLU 81 N -4.26 0.33 0.00 0.00 0.00 -1.06 -2.45 120.64 113.20 1pkq n GLU 81 Ca 0.05 0.08 0.14 0.00 0.00 0.00 0.00 57.16 57.43 1pkq n GLU 81 Cb 0.26 -1.50 0.78 0.00 0.00 0.00 0.00 31.44 30.98 1pkq n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1pkq n ASP 82 N -1.25 0.00 -4.68 -1.84 8.00 -0.79 -4.80 116.55 111.18 1pkq n ASP 82 Ca 0.10 -0.54 -0.42 0.00 0.71 0.00 0.00 54.79 54.65 1pkq n ASP 82 Cb 0.15 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 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 -2.26 4.37 0.00 0.64 2.96 -1.03 -4.87 118.68 118.49 1pkq s LEU 83 Ca 0.35 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 1pkq s LEU 83 Cb 0.19 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.32 1pkq s LEU 83 CO 0.37 -0.91 0.00 0.00 -1.32 0.00 0.00 176.35 174.50 1pkq n ALA 84 N 5.86 0.00 -2.80 5.97 0.00 -1.22 -4.80 120.51 123.52 1pkq n ALA 84 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.26 1pkq n ALA 84 Cb 0.41 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 -2.75 4.37 -0.23 0.00 1.01 -0.25 -1.43 120.40 121.13 1pkq s VAL 85 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1pkq s VAL 85 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1pkq s VAL 85 CO 0.00 0.54 -0.04 -0.31 0.00 0.00 0.00 175.10 175.29 1pkq s TYR 86 N -0.25 2.99 -0.00 5.22 1.51 -0.34 -0.16 117.35 126.33 1pkq s TYR 86 Ca 0.06 -1.15 0.02 0.00 -1.01 0.00 0.00 57.07 54.99 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 -0.62 -0.00 0.71 -1.11 0.00 0.00 175.55 174.55 1pkq s TYR 87 N 1.43 3.06 0.09 2.71 2.02 -0.44 -0.92 117.35 125.31 1pkq s TYR 87 Ca 0.04 0.07 0.08 0.00 -0.37 0.00 0.00 57.07 56.89 1pkq s TYR 87 Cb -0.15 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1pkq s TYR 87 CO -0.04 0.46 -0.15 0.00 -1.57 0.00 0.00 175.55 174.25 1pkq s GLN 89 N -1.96 0.09 -0.34 0.00 0.74 0.25 0.19 119.66 118.63 1pkq s GLN 89 Ca 0.18 0.34 -0.27 0.00 0.05 0.00 0.00 55.36 55.66 1pkq s GLN 89 Cb -0.11 -0.16 -0.05 0.00 1.10 0.00 0.00 33.01 33.80 1pkq s GLN 89 CO 0.10 -0.15 2.17 1.21 -0.55 0.00 0.00 175.29 178.07 1pkq s ASN 90 N 1.06 5.25 -0.35 6.67 2.47 0.71 -1.79 114.94 128.95 1pkq s ASN 90 Ca -0.08 1.47 0.07 0.00 0.42 0.00 0.00 52.86 54.74 1pkq s ASN 90 Cb -0.11 -2.51 0.52 0.00 -1.45 0.00 0.00 41.25 37.70 1pkq s ASN 90 CO -0.05 -2.19 1.55 -0.67 -3.72 0.00 0.00 177.10 172.01 1pkq n ASP 91 N 12.63 3.36 0.00 -4.21 2.03 -0.49 -3.34 116.55 126.53 1pkq n ASP 91 Ca 0.30 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.83 1pkq n ASP 91 Cb 0.48 -0.66 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 -5.21 -0.67 -0.00 -1.23 -4.81 115.22 102.23 1pkq n HIS 92 Ca 0.41 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.82 1pkq n HIS 92 Cb 1.08 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.90 1pkq n HIS 92 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1pkq s SER 93 N -1.68 2.90 0.27 0.26 0.01 -1.26 -5.10 113.70 109.09 1pkq s SER 93 Ca 0.00 -0.47 -0.27 0.00 1.31 0.00 0.00 55.95 56.52 1pkq s SER 93 Cb 0.00 -0.61 -0.09 0.00 0.21 0.00 0.00 66.02 65.53 1pkq s SER 93 CO 0.00 0.26 0.90 -0.31 0.41 0.00 0.00 173.24 174.50 1pkq s TYR 94 N -0.31 3.81 0.16 2.43 1.51 -1.26 -3.30 117.35 120.40 1pkq s TYR 94 Ca 0.02 1.78 -0.27 0.00 -1.01 0.00 0.00 57.07 57.58 1pkq s TYR 94 Cb -0.12 -2.90 -0.08 0.00 -0.11 0.00 0.00 41.96 38.76 1pkq s TYR 94 CO 0.02 0.34 0.85 -1.25 -1.11 0.00 0.00 175.55 174.40 1pkq s PRO 95 N -1.65 4.67 0.52 -1.71 0.04 -1.26 -4.82 135.00 130.78 1pkq s PRO 95 Ca 0.45 1.29 -0.21 0.00 0.04 0.00 0.00 61.00 62.56 1pkq s PRO 95 Cb -0.21 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 30.96 1pkq s PRO 95 CO 0.27 0.47 1.04 1.28 0.04 0.00 0.00 177.00 180.10 1pkq n LEU 96 N 1.89 3.51 -3.80 -3.56 4.77 -1.21 -4.69 117.00 113.90 1pkq n LEU 96 Ca -0.03 0.93 -0.12 0.00 -0.03 0.00 0.00 56.01 56.75 1pkq n LEU 96 Cb 0.48 -1.41 -0.12 0.00 -2.33 0.00 0.00 43.42 40.05 1pkq n LEU 96 CO 0.48 -1.49 -0.12 0.42 -1.33 0.00 0.00 177.39 175.35 1pkq s THR 97 N -1.38 0.01 0.24 -5.08 -4.23 -1.21 -5.01 115.64 98.97 1pkq s THR 97 Ca 0.69 -0.10 0.07 0.00 -1.18 0.00 0.00 61.69 61.18 1pkq s THR 97 Cb -0.47 -0.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.99 1pkq s THR 97 CO 0.52 -0.05 0.15 -0.36 -0.54 0.00 0.00 174.62 174.34 1pkq s PHE 98 N -0.12 3.05 0.95 3.99 0.40 -1.26 -0.21 117.98 124.78 1pkq s PHE 98 Ca -0.02 -0.11 -0.16 0.00 -0.60 0.00 0.00 56.93 56.04 1pkq s PHE 98 Cb -0.02 -1.39 0.19 0.00 0.51 0.00 0.00 43.02 42.31 1pkq s PHE 98 CO 0.01 0.53 1.31 0.20 0.70 0.00 0.00 175.22 177.97 1pkq s GLY 99 N -3.66 1.77 0.00 4.36 0.00 0.13 -4.62 107.32 105.29 1pkq s GLY 99 Ca 0.32 -1.16 0.25 0.00 0.00 0.00 0.00 44.72 44.13 1pkq s GLY 99 CO 0.24 -0.41 1.80 0.00 0.00 0.00 0.00 173.10 174.73 1pkq n ALA 100 N -3.73 2.15 0.00 3.20 0.00 -1.26 -4.74 120.51 116.13 1pkq n ALA 100 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1pkq n ALA 100 Cb 0.60 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.08 -0.90 2.84 0.00 0.00 -1.26 -4.98 105.19 101.98 1pkq n GLY 101 Ca 0.06 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.04 0.93 0.03 2.61 2.01 -0.09 -4.76 115.64 113.32 1pkq s THR 102 Ca 0.00 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.09 1pkq s THR 102 Cb 0.00 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1pkq s THR 102 CO 0.00 0.01 0.95 -0.75 -0.69 0.00 0.00 174.62 174.14 1pkq s LYS 103 N 1.70 4.59 -0.33 4.92 2.20 -0.96 -1.20 119.74 130.66 1pkq s LYS 103 Ca -0.00 1.38 -0.03 0.00 -0.36 0.00 0.00 55.97 56.96 1pkq s LYS 103 Cb -0.16 -3.43 0.06 0.00 -1.51 0.00 0.00 37.83 32.79 1pkq s LYS 103 CO -0.07 0.05 0.06 -1.17 -0.36 0.00 0.00 175.35 173.86 1pkq s LEU 104 N 0.65 4.22 0.32 5.43 2.96 -0.51 -1.49 118.68 130.26 1pkq s LEU 104 Ca 0.49 -1.35 -0.09 0.00 -0.22 0.00 0.00 54.13 52.96 1pkq s LEU 104 Cb -0.21 -1.77 -0.06 0.00 0.50 0.00 0.00 46.19 44.64 1pkq s LEU 104 CO 0.28 -0.32 0.65 -0.70 -1.32 0.00 0.00 176.35 174.94 1pkq s GLU 105 N 1.28 3.76 -0.30 1.98 2.56 -0.37 -3.41 118.70 124.20 1pkq s GLU 105 Ca -0.02 0.30 -0.00 0.00 0.00 0.00 0.00 54.97 55.25 1pkq s GLU 105 Cb -0.20 -2.53 0.06 0.00 2.00 0.00 0.00 34.13 33.46 1pkq s GLU 105 CO -0.00 0.14 -0.00 0.42 -0.56 0.00 0.00 175.26 175.25 1pkq s ILE 106 N -2.12 2.78 0.35 -3.70 1.09 -1.26 -2.63 121.20 115.71 1pkq s ILE 106 Ca 0.48 -1.57 -0.19 0.00 -1.10 0.00 0.00 60.65 58.27 1pkq s ILE 106 Cb -0.11 -2.67 -0.10 0.00 -1.06 0.00 0.00 42.46 38.53 1pkq s ILE 106 CO 0.27 -0.18 0.84 -1.59 -0.10 0.00 0.00 174.94 174.18 1pkq s LYS 107 N 1.18 4.18 0.00 2.79 -2.85 0.89 -4.93 119.74 121.01 1pkq s LYS 107 Ca -0.04 0.94 0.00 0.00 -1.00 0.00 0.00 55.97 55.87 1pkq s LYS 107 Cb -0.20 -2.43 0.00 0.00 -2.06 0.00 0.00 37.83 33.14 1pkq s LYS 107 CO -0.03 0.13 0.00 2.89 0.10 0.00 0.00 175.35 178.44 1pkq n ARG 108 N -0.24 0.00 -2.70 1.78 1.85 -1.26 -4.35 116.66 111.74 1pkq n ARG 108 Ca 0.04 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.67 1pkq n ARG 108 Cb 0.53 0.00 0.09 0.00 -1.05 0.00 0.00 32.46 32.03 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 -1.68 2.19 0.45 8.89 -4.23 -1.26 -5.05 115.64 114.96 1pkq s THR 109 Ca 0.00 -0.70 -0.21 0.00 -1.18 0.00 0.00 61.69 59.59 1pkq s THR 109 Cb 0.00 -2.49 -0.09 0.00 1.34 0.00 0.00 72.50 71.26 1pkq s THR 109 CO 0.00 0.00 1.02 -0.69 -0.54 0.00 0.00 174.62 174.41 1pkq s VAL 110 N -2.99 3.93 -0.23 2.29 1.01 -1.26 -4.83 120.40 118.32 1pkq s VAL 110 Ca 0.64 1.27 -0.05 0.00 0.00 0.00 0.00 61.98 63.84 1pkq s VAL 110 Cb -0.06 -3.55 0.12 0.00 0.00 0.00 0.00 36.38 32.89 1pkq s VAL 110 CO 0.42 -0.19 0.43 0.00 0.00 0.00 0.00 175.10 175.76 1pkq s ALA 111 N -1.95 -1.28 0.27 5.51 0.00 -0.57 -4.96 121.76 118.79 1pkq s ALA 111 Ca 0.64 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.62 1pkq s ALA 111 Cb -0.16 -1.58 -0.10 0.00 0.00 0.00 0.00 23.12 21.28 1pkq s ALA 111 CO 0.20 -1.04 1.24 0.00 0.00 0.00 0.00 175.76 176.16 1pkq s ALA 112 N 2.62 3.47 0.31 0.00 0.00 -1.26 -1.38 121.76 125.52 1pkq s ALA 112 Ca 0.07 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 1pkq s ALA 112 Cb -0.14 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 1pkq s ALA 112 CO -0.15 -0.46 1.58 -2.14 0.00 0.00 0.00 175.76 174.60 1pkq s PRO 113 N -1.16 4.11 -0.67 0.00 0.02 -1.26 -4.77 135.00 131.27 1pkq s PRO 113 Ca 0.50 2.60 -0.21 0.00 0.02 0.00 0.00 61.00 63.91 1pkq s PRO 113 Cb -0.36 -3.01 0.09 0.00 0.02 0.00 0.00 34.50 31.24 1pkq s PRO 113 CO 0.45 -0.63 0.91 0.45 -0.33 0.00 0.00 177.00 177.84 1pkq s SER 114 N 0.38 6.24 0.10 2.53 0.15 -0.69 -4.81 113.70 117.59 1pkq s SER 114 Ca 0.61 -1.26 -0.30 0.00 0.70 0.00 0.00 55.95 55.70 1pkq s SER 114 Cb -0.48 -2.38 -0.05 0.00 -1.71 0.00 0.00 66.02 61.40 1pkq s SER 114 CO 0.51 -1.30 0.97 -0.69 1.20 0.00 0.00 173.24 173.94 1pkq s VAL 115 N 3.46 4.54 -0.02 4.45 1.01 -1.26 -0.78 120.40 131.80 1pkq s VAL 115 Ca 0.20 2.06 0.00 0.00 0.00 0.00 0.00 61.98 64.24 1pkq s VAL 115 Cb -0.17 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 31.91 1pkq s VAL 115 CO 0.06 0.29 0.02 -0.36 0.00 0.00 0.00 175.10 175.12 1pkq s PHE 116 N 0.15 0.06 -0.04 5.22 0.08 -0.27 -4.99 117.98 118.19 1pkq s PHE 116 Ca 0.48 0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.65 1pkq s PHE 116 Cb -0.23 -0.22 -0.03 0.00 -0.57 0.00 0.00 43.02 41.97 1pkq s PHE 116 CO 0.30 -0.08 -0.13 -1.50 -0.10 0.00 0.00 175.22 173.71 1pkq s ILE 117 N 0.86 3.15 -0.09 0.64 2.07 -1.26 0.70 121.20 127.26 1pkq s ILE 117 Ca -0.07 -0.74 0.03 0.00 -1.41 0.00 0.00 60.65 58.45 1pkq s ILE 117 Cb -0.11 -2.26 0.01 0.00 0.13 0.00 0.00 42.46 40.24 1pkq s ILE 117 CO -0.02 0.56 -0.18 -0.36 -1.91 0.00 0.00 174.94 173.03 1pkq s PHE 118 N -0.78 2.04 0.20 3.50 0.08 0.43 -4.99 117.98 118.47 1pkq s PHE 118 Ca 0.12 -0.85 -0.17 0.00 0.12 0.00 0.00 56.93 56.15 1pkq s PHE 118 Cb -0.11 -1.42 -0.08 0.00 -0.57 0.00 0.00 43.02 40.84 1pkq s PHE 118 CO 0.02 -0.39 0.66 -2.14 -0.10 0.00 0.00 175.22 173.26 1pkq s PRO 119 N 0.63 4.13 0.17 0.24 0.02 -1.26 -1.77 135.00 137.17 1pkq s PRO 119 Ca -0.14 0.71 -0.33 0.00 0.02 0.00 0.00 61.00 61.27 1pkq s PRO 119 Cb -0.16 -2.87 -0.16 0.00 0.02 0.00 0.00 34.50 31.33 1pkq s PRO 119 CO 0.04 0.41 1.19 -2.30 -0.33 0.00 0.00 177.00 176.01 1pkq n PRO 120 N 0.67 1.24 -0.88 5.54 -0.02 -1.21 -4.91 135.00 135.43 1pkq n PRO 120 Ca -0.03 0.44 -0.30 0.00 -2.02 0.00 0.00 63.50 61.60 1pkq n PRO 120 Cb 0.51 -1.96 0.18 0.00 -0.02 0.00 0.00 33.50 32.22 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 0.04 2.58 0.44 2.55 1.04 -1.26 -4.90 113.70 114.19 1pkq s SER 121 Ca 0.73 1.68 0.25 0.00 0.48 0.00 0.00 55.95 59.09 1pkq s SER 121 Cb -0.84 -2.32 0.67 0.00 0.10 0.00 0.00 66.02 63.63 1pkq s SER 121 CO 0.52 -3.23 1.72 0.44 0.98 0.00 0.00 173.24 173.67 1pkq h ASP 122 N -1.96 0.00 0.97 7.02 5.19 -2.03 -3.26 116.42 122.36 1pkq h ASP 122 Ca -0.51 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 55.73 1pkq h ASP 122 Cb 1.29 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.78 1pkq h ASP 122 CO 0.50 0.12 -0.80 -0.33 -3.12 0.00 0.00 179.24 175.61 1pkq h GLU 123 N 0.00 0.00 0.05 3.56 3.07 -2.01 -3.33 114.58 115.92 1pkq h GLU 123 Ca -0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.61 1pkq h GLU 123 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1pkq h GLU 123 CO 0.02 0.80 -1.05 0.37 -1.40 0.00 0.00 179.01 177.75 1pkq h GLN 124 N 0.00 0.38 0.05 2.33 4.15 -1.89 -3.33 115.11 116.80 1pkq h GLN 124 Ca -0.01 -0.47 0.02 0.00 0.77 0.00 0.00 58.65 58.96 1pkq h GLN 124 Cb 1.51 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 29.32 1pkq h GLN 124 CO 0.10 1.15 -0.17 -0.07 -1.93 0.00 0.00 178.83 177.92 1pkq h LEU 125 N 0.18 -0.48 -0.79 -2.39 3.38 -1.67 0.89 115.31 114.43 1pkq h LEU 125 Ca -0.10 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pkq h LEU 125 Cb 1.71 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1pkq h LEU 125 CO 0.18 -0.24 0.43 0.11 0.09 0.00 0.00 178.44 179.01 1pkq h LYS 126 N -0.30 0.00 -0.48 1.13 1.57 -1.67 0.56 116.57 117.37 1pkq h LYS 126 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1pkq h LYS 126 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1pkq h LYS 126 CO -0.13 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.18 1pkq n SER 127 N -2.12 4.86 0.00 0.86 7.64 0.30 -5.00 113.62 120.16 1pkq n SER 127 Ca -0.01 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.05 1pkq n SER 127 Cb 0.45 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.36 2.41 3.72 0.23 0.00 0.19 -5.01 105.19 107.10 1pkq n GLY 128 Ca 0.25 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.78 3.98 -0.08 2.61 -4.23 -1.25 0.11 115.64 116.00 1pkq s THR 129 Ca 0.00 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.08 1pkq s THR 129 Cb 0.00 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1pkq s THR 129 CO 0.00 -0.22 -0.19 0.00 -0.54 0.00 0.00 174.62 173.67 1pkq s ALA 130 N -1.96 1.77 -0.13 3.99 0.00 0.33 -3.85 121.76 121.91 1pkq s ALA 130 Ca 0.30 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.54 1pkq s ALA 130 Cb -0.08 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.37 1pkq s ALA 130 CO 0.21 0.23 -0.18 -1.12 0.00 0.00 0.00 175.76 174.91 1pkq s SER 131 N 0.40 2.75 -0.12 0.00 0.01 -1.26 0.72 113.70 116.21 1pkq s SER 131 Ca -0.15 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 56.59 1pkq s SER 131 Cb -0.16 -1.25 -0.02 0.00 0.21 0.00 0.00 66.02 64.80 1pkq s SER 131 CO 0.06 0.02 -0.11 -0.69 0.41 0.00 0.00 173.24 172.94 1pkq s VAL 132 N 1.04 3.30 -0.13 3.43 1.01 0.26 -3.35 120.40 125.96 1pkq s VAL 132 Ca -0.04 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1pkq s VAL 132 Cb -0.15 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 1pkq s VAL 132 CO -0.04 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 174.73 1pkq s VAL 133 N 0.15 2.67 -0.22 2.92 1.01 -0.73 0.62 120.40 126.83 1pkq s VAL 133 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1pkq s VAL 133 Cb -0.15 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.16 1pkq s VAL 133 CO 0.04 0.53 -0.12 0.00 0.00 0.00 0.00 175.10 175.55 1pkq s LEU 135 N 1.28 3.05 -0.43 0.00 2.96 0.22 -1.34 118.68 124.42 1pkq s LEU 135 Ca 0.01 -0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 53.48 1pkq s LEU 135 Cb -0.16 -1.76 0.03 0.00 0.50 0.00 0.00 46.19 44.81 1pkq s LEU 135 CO -0.08 0.06 0.39 -0.76 -1.32 0.00 0.00 176.35 174.64 1pkq s LEU 136 N 1.03 5.12 -0.10 -0.68 1.02 0.63 -1.11 118.68 124.58 1pkq s LEU 136 Ca 0.01 -0.91 -0.19 0.00 0.02 0.00 0.00 54.13 53.06 1pkq s LEU 136 Cb -0.15 -2.27 -0.04 0.00 0.02 0.00 0.00 46.19 43.76 1pkq s LEU 136 CO 0.01 -0.57 0.53 0.21 0.02 0.00 0.00 176.35 176.55 1pkq s ASN 137 N 1.99 6.76 -0.39 2.29 2.47 0.04 -1.53 114.94 126.58 1pkq s ASN 137 Ca 0.08 0.91 -0.34 0.00 0.42 0.00 0.00 52.86 53.92 1pkq s ASN 137 Cb -0.19 -2.32 0.05 0.00 -1.45 0.00 0.00 41.25 37.34 1pkq s ASN 137 CO 0.11 -0.03 0.57 0.59 -3.72 0.00 0.00 177.10 174.63 1pkq n ASN 138 N 3.69 -5.17 -4.41 -4.21 3.02 -0.77 -1.70 115.26 105.71 1pkq n ASN 138 Ca -0.06 -0.12 -0.24 0.00 -0.03 0.00 0.00 54.58 54.14 1pkq n ASN 138 Cb 0.52 -1.48 -0.10 0.00 -0.61 0.00 0.00 39.78 38.11 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 -1.32 1.95 -0.28 3.10 -0.71 0.44 -4.61 117.98 116.55 1pkq s PHE 139 Ca 0.33 -1.02 -0.18 0.00 -1.04 0.00 0.00 56.93 55.03 1pkq s PHE 139 Cb -0.03 -1.32 0.11 0.00 -1.21 0.00 0.00 43.02 40.57 1pkq s PHE 139 CO 0.75 -0.02 0.85 -0.47 -1.34 0.00 0.00 175.22 175.00 1pkq s TYR 140 N -3.20 -0.77 0.14 3.49 6.14 -0.48 0.22 117.35 122.90 1pkq s TYR 140 Ca 0.31 1.60 -0.02 0.00 0.64 0.00 0.00 57.07 59.59 1pkq s TYR 140 Cb 0.07 0.45 0.04 0.00 0.42 0.00 0.00 41.96 42.93 1pkq s TYR 140 CO 0.14 -0.38 0.11 -2.30 0.64 0.00 0.00 175.55 173.76 1pkq n PRO 141 N 3.64 -1.64 0.08 4.97 -0.02 -1.26 -1.51 135.00 139.26 1pkq n PRO 141 Ca -0.18 -0.18 -0.19 0.00 -2.02 0.00 0.00 63.50 60.93 1pkq n PRO 141 Cb 0.58 -0.19 -0.15 0.00 -0.02 0.00 0.00 33.50 33.72 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 0.34 -6.34 -0.52 2.43 -2.00 -3.46 114.38 104.83 1pkq h ARG 142 Ca -0.04 -0.57 -0.54 0.00 -0.81 0.00 0.00 59.98 58.01 1pkq h ARG 142 Cb 0.14 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1pkq h ARG 142 CO 0.03 1.23 1.02 -1.83 -1.51 0.00 0.00 179.97 178.90 1pkq s GLU 143 N -2.61 4.20 -0.28 0.20 1.03 -1.26 -4.96 118.70 115.02 1pkq s GLU 143 Ca -0.10 2.19 -0.20 0.00 0.03 0.00 0.00 54.97 56.89 1pkq s GLU 143 Cb 0.06 -3.80 0.11 0.00 -0.80 0.00 0.00 34.13 29.70 1pkq s GLU 143 CO 0.87 -0.76 0.88 0.00 -1.33 0.00 0.00 175.26 174.92 1pkq s ALA 144 N 3.33 -2.02 0.28 -0.84 0.00 -1.26 -4.70 121.76 116.55 1pkq s ALA 144 Ca 0.72 2.15 -0.23 0.00 0.00 0.00 0.00 51.96 54.60 1pkq s ALA 144 Cb -0.35 -1.49 -0.09 0.00 0.00 0.00 0.00 23.12 21.19 1pkq s ALA 144 CO 0.30 -0.32 0.84 0.15 0.00 0.00 0.00 175.76 176.72 1pkq s LYS 145 N 0.98 4.41 -0.26 0.00 1.02 -0.91 -4.93 119.74 120.05 1pkq s LYS 145 Ca -0.05 1.10 -0.04 0.00 0.02 0.00 0.00 55.97 57.01 1pkq s LYS 145 Cb -0.05 -2.82 0.10 0.00 -0.52 0.00 0.00 37.83 34.54 1pkq s LYS 145 CO -0.12 0.33 0.15 0.08 -0.92 0.00 0.00 175.35 174.87 1pkq s VAL 146 N -1.59 -0.15 -0.08 3.17 1.01 -1.26 -1.30 120.40 120.20 1pkq s VAL 146 Ca 0.47 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1pkq s VAL 146 Cb -0.17 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1pkq s VAL 146 CO 0.22 -0.56 -0.12 -1.58 0.00 0.00 0.00 175.10 173.06 1pkq s GLN 147 N 2.17 2.87 -0.10 2.72 0.74 0.12 -4.91 119.66 123.26 1pkq s GLN 147 Ca 0.08 -0.66 -0.17 0.00 0.05 0.00 0.00 55.36 54.66 1pkq s GLN 147 Cb -0.16 -2.51 -0.05 0.00 1.10 0.00 0.00 33.01 31.39 1pkq s GLN 147 CO -0.29 0.49 0.42 -1.58 -0.55 0.00 0.00 175.29 173.78 1pkq s TRP 148 N -0.36 3.55 -0.12 1.67 0.52 -1.26 0.73 118.94 123.67 1pkq s TRP 148 Ca 0.04 0.86 0.00 0.00 0.02 0.00 0.00 56.10 57.02 1pkq s TRP 148 Cb -0.12 -2.45 0.02 0.00 -1.15 0.00 0.00 33.47 29.77 1pkq s TRP 148 CO 0.02 0.29 -0.10 0.15 0.02 0.00 0.00 176.95 177.34 1pkq s LYS 149 N 0.19 1.77 -0.29 4.98 1.02 -0.50 -1.36 119.74 125.56 1pkq s LYS 149 Ca 0.24 -0.36 -0.08 0.00 0.02 0.00 0.00 55.97 55.79 1pkq s LYS 149 Cb -0.15 -1.72 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1pkq s LYS 149 CO 0.10 -0.23 0.10 0.08 -0.92 0.00 0.00 175.35 174.48 1pkq s VAL 150 N 1.54 4.25 -1.45 3.17 1.01 -0.43 -2.59 120.40 125.90 1pkq s VAL 150 Ca 0.03 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1pkq s VAL 150 Cb -0.13 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 33.17 1pkq s VAL 150 CO -0.08 0.14 1.06 0.47 0.00 0.00 0.00 175.10 176.69 1pkq n ASP 151 N 4.92 -5.24 -1.12 3.32 10.43 0.26 -0.58 116.55 128.54 1pkq n ASP 151 Ca -0.15 -0.69 -0.14 0.00 2.57 0.00 0.00 54.79 56.39 1pkq n ASP 151 Cb 0.49 -4.36 -0.06 0.00 1.84 0.00 0.00 41.12 39.04 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 -2.92 -4.65 -4.39 -2.24 4.13 -1.26 -4.99 115.26 98.93 1pkq n ASN 152 Ca 0.01 0.31 -0.40 0.00 1.68 0.00 0.00 54.58 56.18 1pkq n ASN 152 Cb 0.55 -3.42 -0.11 0.00 -1.54 0.00 0.00 39.78 35.25 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 -2.54 3.29 0.55 5.41 0.00 0.25 -5.01 121.76 123.72 1pkq s ALA 153 Ca 0.00 -1.66 -0.19 0.00 0.00 0.00 0.00 51.96 50.11 1pkq s ALA 153 Cb 0.00 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.46 1pkq s ALA 153 CO 0.00 -1.30 0.64 1.28 0.00 0.00 0.00 175.76 176.37 1pkq n LEU 154 N 5.01 1.32 -4.74 0.00 4.32 -1.26 -1.31 117.00 120.33 1pkq n LEU 154 Ca -0.12 0.79 -0.26 0.00 -0.02 0.00 0.00 56.01 56.39 1pkq n LEU 154 Cb 0.47 -1.22 -0.07 0.00 -1.62 0.00 0.00 43.42 40.98 1pkq n LEU 154 CO 0.36 -2.72 -0.16 -1.10 -1.22 0.00 0.00 177.39 172.55 1pkq s GLN 155 N -2.14 2.19 -0.13 3.23 -1.52 -0.46 -4.83 119.66 115.99 1pkq s GLN 155 Ca 0.69 -1.98 -0.26 0.00 -1.95 0.00 0.00 55.36 51.86 1pkq s GLN 155 Cb -0.46 -1.89 0.06 0.00 -0.22 0.00 0.00 33.01 30.50 1pkq s GLN 155 CO 0.54 -0.20 0.64 -1.12 -0.25 0.00 0.00 175.29 174.90 1pkq s SER 156 N -3.92 -0.63 -1.54 5.90 0.01 -1.26 -4.87 113.70 107.40 1pkq s SER 156 Ca 0.35 0.92 -0.17 0.00 1.31 0.00 0.00 55.95 58.36 1pkq s SER 156 Cb 0.04 0.86 0.17 0.00 0.21 0.00 0.00 66.02 67.29 1pkq s SER 156 CO 0.19 -0.44 0.41 0.61 0.41 0.00 0.00 173.24 174.43 1pkq n GLY 157 N 1.70 -0.29 0.00 3.44 0.00 -1.26 -4.71 105.19 104.06 1pkq n GLY 157 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.01 0.25 -3.72 1.61 6.94 -1.26 -5.06 115.26 112.01 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 0.41 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.73 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 -0.44 0.12 0.53 1.04 -1.26 -1.93 113.70 111.65 1pkq s SER 159 Ca 0.00 0.82 0.10 0.00 0.48 0.00 0.00 55.95 57.35 1pkq s SER 159 Cb 0.00 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.86 1pkq s SER 159 CO 0.00 -0.16 -0.26 0.00 0.98 0.00 0.00 173.24 173.80 1pkq s GLN 160 N 0.68 1.39 0.25 4.02 -2.07 -0.73 -4.90 119.66 118.30 1pkq s GLN 160 Ca -0.04 -1.29 0.10 0.00 -1.82 0.00 0.00 55.36 52.31 1pkq s GLN 160 Cb -0.05 -1.82 -0.04 0.00 -1.09 0.00 0.00 33.01 30.01 1pkq s GLN 160 CO -0.05 0.43 -0.07 -1.83 -1.32 0.00 0.00 175.29 172.46 1pkq s GLU 161 N -1.94 2.10 0.13 9.60 -1.05 -1.26 -0.74 118.70 125.54 1pkq s GLU 161 Ca 0.12 -1.45 0.06 0.00 -0.15 0.00 0.00 54.97 53.55 1pkq s GLU 161 Cb -0.10 -2.08 -0.04 0.00 -0.44 0.00 0.00 34.13 31.48 1pkq s GLU 161 CO 0.05 0.38 -0.13 0.45 0.95 0.00 0.00 175.26 176.95 1pkq s SER 162 N -3.41 1.99 0.08 0.83 0.15 -0.64 -4.96 113.70 107.74 1pkq s SER 162 Ca 0.29 -0.85 0.02 0.00 0.70 0.00 0.00 55.95 56.11 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 -0.18 -0.06 -0.69 1.20 0.00 0.00 173.24 173.68 1pkq s VAL 163 N -2.37 0.62 0.19 4.45 1.01 -1.26 -1.70 120.40 121.34 1pkq s VAL 163 Ca 0.11 -1.77 0.06 0.00 0.00 0.00 0.00 61.98 60.38 1pkq s VAL 163 Cb -0.03 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1pkq s VAL 163 CO 0.03 -0.80 0.12 0.42 0.00 0.00 0.00 175.10 174.87 1pkq s THR 164 N -3.25 4.28 0.78 3.92 -4.23 -1.14 -5.03 115.64 110.97 1pkq s THR 164 Ca 0.07 -1.27 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1pkq s THR 164 Cb 0.03 -3.21 0.06 0.00 1.34 0.00 0.00 72.50 70.72 1pkq s THR 164 CO -0.04 -0.18 1.08 -0.70 -0.54 0.00 0.00 174.62 174.24 1pkq s GLU 165 N -3.28 2.20 0.57 3.99 2.56 -1.26 -4.68 118.70 118.80 1pkq s GLU 165 Ca 0.31 0.86 -0.19 0.00 0.00 0.00 0.00 54.97 55.95 1pkq s GLU 165 Cb -0.09 -1.91 -0.07 0.00 2.00 0.00 0.00 34.13 34.06 1pkq s GLU 165 CO 0.23 -1.60 0.81 1.04 -0.56 0.00 0.00 175.26 175.18 1pkq n GLN 166 N -3.45 0.81 -2.27 4.30 6.02 -1.26 -4.84 117.38 116.68 1pkq n GLN 166 Ca 0.08 0.31 -0.39 0.00 -0.01 0.00 0.00 57.00 56.98 1pkq n GLN 166 Cb 0.55 -1.98 -0.02 0.00 1.02 0.00 0.00 30.24 29.80 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 -1.16 6.68 0.00 1.08 3.68 -0.44 -4.84 116.67 121.67 1pkq s ASP 167 Ca 0.72 2.43 0.24 0.00 2.13 0.00 0.00 52.55 58.06 1pkq s ASP 167 Cb -0.44 -2.63 1.41 0.00 -1.45 0.00 0.00 42.92 39.81 1pkq s ASP 167 CO 0.51 -0.57 1.83 -1.54 0.13 0.00 0.00 175.17 175.53 1pkq n SER 168 N 0.41 0.00 0.00 -0.34 3.41 -1.26 -1.70 113.62 114.14 1pkq n SER 168 Ca 0.02 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 1pkq n SER 168 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.92 1.45 0.00 4.33 5.02 -1.26 -2.57 118.16 124.20 1pkq n LYS 169 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1pkq n LYS 169 Cb 0.08 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -1.74 0.95 -2.76 4.39 3.85 -1.26 -4.93 116.55 115.07 1pkq n ASP 170 Ca 0.00 -1.14 -0.21 0.00 -0.71 0.00 0.00 54.79 52.74 1pkq n ASP 170 Cb 0.32 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.10 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 -0.07 -5.67 -5.00 -1.12 7.64 -0.69 -4.89 113.62 103.82 1pkq n SER 171 Ca 0.00 -0.15 -0.22 0.00 1.01 0.00 0.00 58.87 59.52 1pkq n SER 171 Cb 0.09 -4.66 0.05 0.00 -1.01 0.00 0.00 64.21 58.68 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 -3.06 1.88 0.34 0.44 -4.23 -1.26 -4.46 115.64 105.29 1pkq s THR 172 Ca 0.17 -1.14 0.06 0.00 -1.18 0.00 0.00 61.69 59.59 1pkq s THR 172 Cb -0.08 -2.03 -0.07 0.00 1.34 0.00 0.00 72.50 71.67 1pkq s THR 172 CO 0.21 0.00 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.97 1pkq s TYR 173 N -2.74 2.16 -0.16 3.99 1.51 0.13 -1.33 117.35 120.92 1pkq s TYR 173 Ca 0.54 -0.76 -0.07 0.00 -1.01 0.00 0.00 57.07 55.77 1pkq s TYR 173 Cb -0.04 -1.38 0.07 0.00 -0.11 0.00 0.00 41.96 40.49 1pkq s TYR 173 CO 0.34 0.27 0.36 -1.12 -1.11 0.00 0.00 175.55 174.29 1pkq s SER 174 N -3.55 -0.22 0.01 2.29 0.01 -1.26 0.17 113.70 111.14 1pkq s SER 174 Ca 0.34 0.81 0.05 0.00 1.31 0.00 0.00 55.95 58.45 1pkq s SER 174 Cb 0.07 0.87 -0.03 0.00 0.21 0.00 0.00 66.02 67.14 1pkq s SER 174 CO 0.15 -0.21 -0.14 -0.22 0.41 0.00 0.00 173.24 173.23 1pkq s LEU 175 N 1.95 2.80 -0.29 2.44 0.20 -0.58 -2.89 118.68 122.30 1pkq s LEU 175 Ca -0.05 -0.29 0.03 0.00 0.69 0.00 0.00 54.13 54.51 1pkq s LEU 175 Cb -0.10 -1.62 0.08 0.00 -0.43 0.00 0.00 46.19 44.12 1pkq s LEU 175 CO -0.11 0.29 -0.01 -0.94 -0.29 0.00 0.00 176.35 175.28 1pkq s SER 176 N -1.25 4.41 -0.46 3.68 1.04 -0.69 -0.27 113.70 120.16 1pkq s SER 176 Ca 0.15 -1.68 -0.18 0.00 0.48 0.00 0.00 55.95 54.72 1pkq s SER 176 Cb -0.11 -1.43 0.04 0.00 0.10 0.00 0.00 66.02 64.62 1pkq s SER 176 CO 0.05 -0.30 0.51 -0.55 0.98 0.00 0.00 173.24 173.93 1pkq s SER 177 N 1.14 6.20 -0.32 7.02 0.15 -0.45 -1.63 113.70 125.82 1pkq s SER 177 Ca 0.02 -0.85 -0.14 0.00 0.70 0.00 0.00 55.95 55.68 1pkq s SER 177 Cb -0.19 -2.25 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1pkq s SER 177 CO -0.09 -0.71 0.32 -0.89 1.20 0.00 0.00 173.24 173.07 1pkq s THR 178 N 2.26 5.21 -0.37 6.45 2.01 0.08 -2.18 115.64 129.11 1pkq s THR 178 Ca 0.12 0.13 -0.18 0.00 0.31 0.00 0.00 61.69 62.08 1pkq s THR 178 Cb -0.19 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1pkq s THR 178 CO 0.12 0.02 0.49 -0.22 -0.69 0.00 0.00 174.62 174.35 1pkq s LEU 179 N 1.95 4.44 -0.14 4.42 2.96 0.20 -1.77 118.68 130.74 1pkq s LEU 179 Ca 0.11 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1pkq s LEU 179 Cb -0.16 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 1pkq s LEU 179 CO 0.11 -0.50 0.05 -0.89 -1.32 0.00 0.00 176.35 173.81 1pkq s THR 180 N 2.34 4.75 0.33 3.68 2.01 -0.81 0.92 115.64 128.85 1pkq s THR 180 Ca 0.17 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.15 1pkq s THR 180 Cb -0.16 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 1pkq s THR 180 CO 0.14 0.55 0.35 0.18 -0.69 0.00 0.00 174.62 175.14 1pkq n LEU 181 N 2.73 0.00 -4.94 4.42 4.77 0.22 -4.80 117.00 119.41 1pkq n LEU 181 Ca -0.18 -2.97 -0.26 0.00 -0.03 0.00 0.00 56.01 52.57 1pkq n LEU 181 Cb 0.53 1.93 -0.03 0.00 -2.33 0.00 0.00 43.42 43.52 1pkq n LEU 181 CO 0.32 -0.56 0.01 -0.94 -1.33 0.00 0.00 177.39 174.90 1pkq s SER 182 N -3.21 6.36 0.31 -1.43 1.04 -1.26 0.12 113.70 115.63 1pkq s SER 182 Ca 0.35 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 57.10 1pkq s SER 182 Cb 0.01 -1.98 0.48 0.00 0.10 0.00 0.00 66.02 64.63 1pkq s SER 182 CO 0.25 -0.06 1.97 0.50 0.98 0.00 0.00 173.24 176.88 1pkq h LYS 183 N 1.77 1.02 0.02 4.02 3.64 0.58 0.32 116.57 127.93 1pkq h LYS 183 Ca -0.49 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1pkq h LYS 183 Cb 1.20 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 1pkq h LYS 183 CO 0.66 0.69 -0.41 0.00 -2.27 0.00 0.00 179.45 178.12 1pkq h ALA 184 N 1.50 -0.85 0.00 5.00 0.00 -1.94 -1.95 119.26 121.02 1pkq h ALA 184 Ca 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1pkq h ALA 184 Cb -0.09 0.84 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1pkq h ALA 184 CO -0.06 -0.97 -0.05 -0.44 0.00 0.00 0.00 179.25 177.73 1pkq h ASP 185 N -0.52 0.00 -0.30 0.00 3.32 -1.80 -2.82 116.42 114.30 1pkq h ASP 185 Ca 0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1pkq h ASP 185 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1pkq h ASP 185 CO -0.26 0.05 -0.18 0.22 -1.72 0.00 0.00 179.24 177.35 1pkq h TYR 186 N 0.00 0.76 -0.00 4.55 3.20 0.35 -3.06 116.97 122.76 1pkq h TYR 186 Ca -0.00 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1pkq h TYR 186 Cb 0.47 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1pkq h TYR 186 CO 0.00 0.90 -0.24 0.39 -1.64 0.00 0.00 178.16 177.56 1pkq n GLU 187 N -4.36 0.47 -0.27 1.82 1.02 -0.85 -3.85 120.64 114.61 1pkq n GLU 187 Ca -0.03 -0.22 0.04 0.00 -0.02 0.00 0.00 57.16 56.93 1pkq n GLU 187 Cb 0.40 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.08 2.20 -4.09 3.49 4.81 -1.07 -4.88 118.16 117.54 1pkq n LYS 188 Ca 0.11 -1.24 -0.12 0.00 -0.87 0.00 0.00 58.31 56.19 1pkq n LYS 188 Cb 0.32 -1.54 -0.06 0.00 0.02 0.00 0.00 35.03 33.77 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 -1.66 0.84 0.04 5.64 3.76 -1.25 -5.04 115.29 117.62 1pkq s HIS 189 Ca 0.22 -1.11 -0.01 0.00 -0.15 0.00 0.00 55.06 54.01 1pkq s HIS 189 Cb 0.14 -0.11 -0.01 0.00 1.11 0.00 0.00 32.58 33.71 1pkq s HIS 189 CO 0.11 -0.95 -0.03 1.17 -0.85 0.00 0.00 174.74 174.18 1pkq n LYS 190 N -0.43 0.05 -3.69 1.40 0.00 -1.26 -4.82 118.16 109.40 1pkq n LYS 190 Ca 0.00 0.02 -0.37 0.00 0.00 0.00 0.00 58.31 57.96 1pkq n LYS 190 Cb 0.63 -0.58 -0.11 0.00 0.00 0.00 0.00 35.03 34.96 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 -2.06 4.93 -0.05 3.15 1.01 -1.26 -1.04 120.40 125.08 1pkq s VAL 191 Ca -0.03 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1pkq s VAL 191 Cb 0.01 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1pkq s VAL 191 CO 0.04 0.31 -0.12 -0.31 0.00 0.00 0.00 175.10 175.01 1pkq s TYR 192 N 1.51 2.75 -0.05 5.22 2.02 -1.03 0.90 117.35 128.67 1pkq s TYR 192 Ca 0.06 -0.12 -0.30 0.00 -0.37 0.00 0.00 57.07 56.34 1pkq s TYR 192 Cb -0.15 -1.64 0.11 0.00 -0.40 0.00 0.00 41.96 39.89 1pkq s TYR 192 CO 0.07 0.23 0.97 0.00 -1.57 0.00 0.00 175.55 175.25 1pkq s ALA 193 N -0.78 -1.89 -0.04 3.71 0.00 -1.07 -2.35 121.76 119.34 1pkq s ALA 193 Ca 0.12 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.30 1pkq s ALA 193 Cb -0.11 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 1pkq s ALA 193 CO 0.01 -0.66 -0.17 0.00 0.00 0.00 0.00 175.76 174.94 1pkq s GLU 195 N -0.00 3.70 -0.15 0.00 2.02 0.22 -2.48 118.70 122.01 1pkq s GLU 195 Ca -0.03 -0.47 -0.06 0.00 0.02 0.00 0.00 54.97 54.42 1pkq s GLU 195 Cb -0.11 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 1pkq s GLU 195 CO 0.02 -0.25 0.08 0.08 0.02 0.00 0.00 175.26 175.21 1pkq s VAL 196 N 1.68 4.94 -0.21 2.63 1.01 0.35 -0.70 120.40 130.10 1pkq s VAL 196 Ca 0.06 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1pkq s VAL 196 Cb -0.16 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 33.09 1pkq s VAL 196 CO 0.08 0.53 -0.08 -0.89 0.00 0.00 0.00 175.10 174.73 1pkq s THR 197 N -0.25 1.58 0.15 3.92 2.01 -0.42 -1.72 115.64 120.90 1pkq s THR 197 Ca 0.09 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1pkq s THR 197 Cb -0.12 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1pkq s THR 197 CO 0.01 0.08 0.02 -2.28 -0.69 0.00 0.00 174.62 171.76 1pkq s HIS 198 N 1.41 1.05 0.08 4.92 2.46 -1.26 -2.14 115.29 121.80 1pkq s HIS 198 Ca -0.03 -1.09 0.33 0.00 0.47 0.00 0.00 55.06 54.75 1pkq s HIS 198 Cb -0.17 -0.60 1.34 0.00 -0.13 0.00 0.00 32.58 33.01 1pkq s HIS 198 CO -0.07 -0.32 1.97 0.37 -2.47 0.00 0.00 174.74 174.22 1pkq h GLN 199 N 2.78 0.00 -0.05 2.88 4.15 -1.89 -2.52 115.11 120.46 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 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1pkq h GLN 199 CO 0.62 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.93 1pkq n GLY 200 N 0.06 0.38 3.32 2.39 0.00 -1.26 -4.79 105.19 105.30 1pkq n GLY 200 Ca 0.01 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.93 3.83 0.27 0.99 1.43 -0.95 -4.49 118.68 117.83 1pkq s LEU 201 Ca 0.35 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1pkq s LEU 201 Cb 0.20 -1.86 0.58 0.00 0.03 0.00 0.00 46.19 45.15 1pkq s LEU 201 CO 0.32 -0.20 1.76 0.28 0.23 0.00 0.00 176.35 178.73 1pkq h SER 202 N 8.21 0.54 -4.83 2.29 0.02 -1.86 -3.43 113.55 114.48 1pkq h SER 202 Ca -0.31 0.10 -0.17 0.00 -0.84 0.00 0.00 61.79 60.57 1pkq h SER 202 Cb 1.12 0.02 -0.22 0.00 0.14 0.00 0.00 62.40 63.46 1pkq h SER 202 CO 0.60 0.20 -0.66 -0.55 -1.14 0.00 0.00 176.83 175.28 1pkq s SER 203 N -5.40 0.17 0.22 3.07 0.15 -1.26 -5.12 113.70 105.53 1pkq s SER 203 Ca -0.12 -0.38 -0.29 0.00 0.70 0.00 0.00 55.95 55.86 1pkq s SER 203 Cb 0.22 0.11 -0.16 0.00 -1.71 0.00 0.00 66.02 64.49 1pkq s SER 203 CO 0.78 -0.28 0.73 -2.65 1.20 0.00 0.00 173.24 173.03 1pkq n PRO 204 N 1.74 0.49 -4.07 5.44 -0.02 -1.26 -4.95 135.00 132.37 1pkq n PRO 204 Ca -0.22 0.17 -0.34 0.00 -2.02 0.00 0.00 63.50 61.09 1pkq n PRO 204 Cb 0.56 -1.34 -0.07 0.00 -0.02 0.00 0.00 33.50 32.63 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 4.91 -0.04 -1.45 1.01 -0.70 -4.95 120.40 118.26 1pkq s VAL 205 Ca 0.64 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1pkq s VAL 205 Cb -0.87 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 32.31 1pkq s VAL 205 CO 0.57 0.44 -0.10 -0.89 0.00 0.00 0.00 175.10 175.12 1pkq s THR 206 N -1.13 0.93 -0.09 3.92 2.01 -1.26 -0.49 115.64 119.52 1pkq s THR 206 Ca 0.20 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1pkq s THR 206 Cb -0.12 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.57 1pkq s THR 206 CO 0.11 0.29 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.71 1pkq s LYS 207 N 0.39 1.50 0.34 4.92 -0.14 -1.04 -5.00 119.74 120.71 1pkq s LYS 207 Ca -0.07 -0.28 0.08 0.00 -1.36 0.00 0.00 55.97 54.34 1pkq s LYS 207 Cb -0.12 -1.46 -0.03 0.00 -1.68 0.00 0.00 37.83 34.54 1pkq s LYS 207 CO 0.02 -0.17 0.28 -1.54 -0.76 0.00 0.00 175.35 173.18 1pkq s SER 208 N 1.36 1.83 0.27 2.83 1.04 -1.26 -2.62 113.70 117.15 1pkq s SER 208 Ca -0.02 -1.78 -0.20 0.00 0.48 0.00 0.00 55.95 54.42 1pkq s SER 208 Cb -0.14 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.57 1pkq s SER 208 CO -0.04 -1.07 0.69 0.72 0.98 0.00 0.00 173.24 174.52 1pkq s PHE 209 N -3.39 -0.16 -0.17 5.02 -0.12 -0.99 -5.03 117.98 113.15 1pkq s PHE 209 Ca 0.40 -0.28 -0.01 0.00 -0.05 0.00 0.00 56.93 56.99 1pkq s PHE 209 Cb 0.02 0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 43.06 1pkq s PHE 209 CO 0.28 -1.20 -0.12 -0.80 -0.05 0.00 0.00 175.22 173.33 1pkq s ASN 210 N -2.92 3.87 0.16 1.98 0.01 -1.26 -2.48 114.94 114.30 1pkq s ASN 210 Ca 0.12 -0.42 -0.32 0.00 -0.71 0.00 0.00 52.86 51.53 1pkq s ASN 210 Cb -0.05 -1.61 -0.17 0.00 0.41 0.00 0.00 41.25 39.82 1pkq s ASN 210 CO 0.06 0.08 0.81 -1.14 -1.51 0.00 0.00 177.10 175.40 1pkq n ARG 211 N 4.13 0.34 -1.41 -0.60 0.63 -0.20 -3.97 116.66 115.57 1pkq n ARG 211 Ca -0.19 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1pkq n ARG 211 Cb 0.52 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.07 1pkq n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pkq n GLY 212 N 1.81 -0.52 0.00 5.14 0.00 -1.26 -5.05 105.19 105.31 1pkq n GLY 212 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1pkq n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50