#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxk n ALA 3 N 0.00 2.62 0.82 1.79 0.00 -1.26 -4.40 120.51 120.09 3dxk n ALA 3 Ca 0.00 -0.55 0.08 0.00 0.00 0.00 0.00 53.44 52.97 3dxk n ALA 3 Cb 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 3dxk n ALA 3 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3dxk n THR 4 N -2.25 0.00 0.26 0.00 5.66 -1.26 -4.63 114.28 112.06 3dxk n THR 4 Ca -0.06 -0.09 -0.10 0.00 -3.05 0.00 0.00 64.05 60.74 3dxk n THR 4 Cb 0.58 1.00 -0.05 0.00 -1.55 0.00 0.00 70.33 70.31 3dxk n THR 4 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 3dxk h LEU 5 N 0.00 -0.57 -0.60 1.09 5.85 -1.99 -2.75 115.31 116.34 3dxk h LEU 5 Ca 0.00 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.84 3dxk h LEU 5 Cb 0.41 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 3dxk h LEU 5 CO 0.00 -0.33 0.19 -0.09 -0.34 0.00 0.00 178.44 177.87 3dxk h ARG 6 N -0.81 0.34 -0.53 1.25 1.12 -1.85 -0.07 114.38 113.84 3dxk h ARG 6 Ca -0.07 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 58.79 3dxk h ARG 6 Cb 0.51 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.37 3dxk h ARG 6 CO 0.11 0.23 0.35 -1.35 -3.11 0.00 0.00 179.97 176.20 3dxk h PRO 7 N 0.35 0.68 0.26 0.20 0.11 -1.82 -0.53 132.00 131.24 3dxk h PRO 7 Ca 0.31 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 3dxk h PRO 7 Cb 0.41 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3dxk h PRO 7 CO -0.34 0.45 -0.12 -0.92 -0.21 0.00 0.00 178.00 176.86 3dxk h TYR 8 N 0.70 -0.32 -0.21 0.65 3.20 -0.77 -2.61 116.97 117.62 3dxk h TYR 8 Ca 0.20 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3dxk h TYR 8 Cb -0.06 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3dxk h TYR 8 CO -0.00 0.03 0.14 -0.07 -1.64 0.00 0.00 178.16 176.62 3dxk h LEU 9 N -0.74 0.18 -0.51 2.82 3.38 -0.95 -1.57 115.31 117.92 3dxk h LEU 9 Ca -0.04 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3dxk h LEU 9 Cb 0.49 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3dxk h LEU 9 CO 0.06 0.12 -0.28 0.28 0.09 0.00 0.00 178.44 178.71 3dxk h SER 10 N 0.21 0.95 0.25 -0.43 0.02 -1.01 0.13 113.55 113.66 3dxk h SER 10 Ca 0.08 -0.38 -0.13 0.00 -0.84 0.00 0.00 61.79 60.52 3dxk h SER 10 Cb 0.08 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3dxk h SER 10 CO -0.02 1.16 -0.49 0.00 -1.14 0.00 0.00 176.83 176.34 3dxk h ALA 11 N 0.90 0.96 -0.09 3.77 0.00 -0.99 -2.02 119.26 121.79 3dxk h ALA 11 Ca 0.09 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3dxk h ALA 11 Cb 0.85 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3dxk h ALA 11 CO 0.07 0.66 -0.08 0.28 0.00 0.00 0.00 179.25 180.18 3dxk h VAL 12 N 0.23 1.36 -0.90 0.00 2.07 -1.04 -1.95 116.25 116.01 3dxk h VAL 12 Ca 0.01 -1.22 0.05 0.00 0.82 0.00 0.00 66.70 66.36 3dxk h VAL 12 Cb 0.95 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 3dxk h VAL 12 CO 0.08 0.34 0.58 -0.09 0.02 0.00 0.00 177.57 178.50 3dxk h ARG 13 N -0.21 1.05 -0.33 1.57 2.43 -0.66 0.84 114.38 119.07 3dxk h ARG 13 Ca 0.01 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3dxk h ARG 13 Cb 0.59 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3dxk h ARG 13 CO 0.02 0.69 0.02 0.00 -1.51 0.00 0.00 179.97 179.19 3dxk h ALA 14 N 1.40 0.44 -0.52 2.80 0.00 -1.34 -1.29 119.26 120.75 3dxk h ALA 14 Ca 0.38 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3dxk h ALA 14 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3dxk h ALA 14 CO -0.15 0.18 -0.05 1.15 0.00 0.00 0.00 179.25 180.39 3dxk h THR 15 N 0.38 1.27 -0.62 0.00 2.02 -0.90 -2.69 112.91 112.38 3dxk h THR 15 Ca 0.10 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.11 3dxk h THR 15 Cb 0.42 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3dxk h THR 15 CO 0.01 0.41 0.40 -0.07 0.37 0.00 0.00 175.52 176.64 3dxk h LEU 16 N 0.82 0.72 -1.08 2.58 3.38 -0.71 -1.50 115.31 119.51 3dxk h LEU 16 Ca 0.14 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3dxk h LEU 16 Cb 0.59 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3dxk h LEU 16 CO 0.04 0.53 -0.20 -0.61 0.09 0.00 0.00 178.44 178.29 3dxk h GLN 17 N 0.84 0.41 0.00 1.13 4.15 -0.93 -2.20 115.11 118.51 3dxk h GLN 17 Ca 0.23 -0.13 -0.16 0.00 0.77 0.00 0.00 58.65 59.35 3dxk h GLN 17 Cb -0.08 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3dxk h GLN 17 CO -0.05 0.60 -0.76 0.00 -1.93 0.00 0.00 178.83 176.69 3dxk h ALA 18 N 1.42 0.75 0.04 3.38 0.00 -0.99 -3.31 119.26 120.54 3dxk h ALA 18 Ca 0.06 -0.69 -0.24 0.00 0.00 0.00 0.00 54.91 54.04 3dxk h ALA 18 Cb 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3dxk h ALA 18 CO 0.04 0.94 -1.21 0.00 0.00 0.00 0.00 179.25 179.03 3dxk h ALA 19 N 1.24 0.36 0.00 0.00 0.00 -1.13 -3.35 119.26 116.38 3dxk h ALA 19 Ca -0.01 -1.01 -0.00 0.00 0.00 0.00 0.00 54.91 53.89 3dxk h ALA 19 Cb 1.34 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3dxk h ALA 19 CO 0.10 1.24 -0.01 1.28 0.00 0.00 0.00 179.25 181.86 3dxk n LEU 20 N -3.35 5.12 -3.88 0.00 4.77 -0.85 -4.46 117.00 114.36 3dxk n LEU 20 Ca -0.06 -2.32 -0.36 0.00 -0.03 0.00 0.00 56.01 53.23 3dxk n LEU 20 Cb 0.98 -1.09 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3dxk n LEU 20 CO 0.48 0.98 0.59 0.00 -1.33 0.00 0.00 177.39 178.11 3dxk s LEU 22 N -2.22 4.02 0.05 0.00 1.43 -1.26 -4.94 118.68 115.76 3dxk s LEU 22 Ca 0.33 -0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.19 3dxk s LEU 22 Cb 0.04 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.63 3dxk s LEU 22 CO -0.01 -0.19 0.18 -1.83 0.23 0.00 0.00 176.35 174.74 3dxk s GLU 23 N -4.00 0.71 0.31 1.70 -1.05 -0.86 -4.97 118.70 110.54 3dxk s GLU 23 Ca 0.37 -0.69 -0.29 0.00 -0.15 0.00 0.00 54.97 54.21 3dxk s GLU 23 Cb -0.08 0.29 -0.11 0.00 -0.44 0.00 0.00 34.13 33.79 3dxk s GLU 23 CO 0.28 -0.20 1.54 1.21 0.95 0.00 0.00 175.26 179.03 3dxk s ASN 24 N -2.21 6.42 -0.12 0.83 3.84 -1.26 -4.21 114.94 118.22 3dxk s ASN 24 Ca -0.03 2.93 -0.04 0.00 0.21 0.00 0.00 52.86 55.93 3dxk s ASN 24 Cb -0.00 -2.64 0.05 0.00 -0.55 0.00 0.00 41.25 38.11 3dxk s ASN 24 CO -0.05 -0.86 0.11 0.12 -2.79 0.00 0.00 177.10 173.63 3dxk s PHE 25 N -0.33 0.03 0.44 0.43 5.36 -1.26 -5.03 117.98 117.62 3dxk s PHE 25 Ca 0.60 0.07 -0.23 0.00 -0.96 0.00 0.00 56.93 56.41 3dxk s PHE 25 Cb -0.46 -0.52 -0.08 0.00 -0.34 0.00 0.00 43.02 41.62 3dxk s PHE 25 CO 0.51 -0.39 1.10 -1.12 -1.46 0.00 0.00 175.22 173.87 3dxk s SER 26 N 2.20 6.43 0.34 6.13 0.01 -1.26 -4.47 113.70 123.08 3dxk s SER 26 Ca 0.04 2.15 -0.29 0.00 1.31 0.00 0.00 55.95 59.16 3dxk s SER 26 Cb -0.14 -2.59 -0.11 0.00 0.21 0.00 0.00 66.02 63.39 3dxk s SER 26 CO -0.07 -0.72 1.53 -0.55 0.41 0.00 0.00 173.24 173.83 3dxk s SER 27 N -1.51 6.36 0.01 2.44 0.15 0.38 -4.88 113.70 116.63 3dxk s SER 27 Ca 0.62 3.01 0.22 0.00 0.70 0.00 0.00 55.95 60.50 3dxk s SER 27 Cb -0.24 -2.66 -0.20 0.00 -1.71 0.00 0.00 66.02 61.21 3dxk s SER 27 CO 0.30 -0.89 0.76 1.67 1.20 0.00 0.00 173.24 176.28 3dxk n GLN 28 N 1.14 0.37 -0.05 5.44 7.27 -1.26 -4.41 117.38 125.88 3dxk n GLN 28 Ca 0.04 -0.08 -0.01 0.00 0.07 0.00 0.00 57.00 57.02 3dxk n GLN 28 Cb 0.38 -1.55 -0.12 0.00 2.41 0.00 0.00 30.24 31.37 3dxk n GLN 28 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3dxk n VAL 29 N -1.98 0.64 -4.16 1.69 0.31 -1.26 -4.96 118.33 108.61 3dxk n VAL 29 Ca -0.00 -0.54 -0.25 0.00 -0.01 0.00 0.00 64.34 63.54 3dxk n VAL 29 Cb 0.47 -0.31 -0.17 0.00 -0.91 0.00 0.00 33.84 32.92 3dxk n VAL 29 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3dxk s VAL 30 N -2.68 0.94 0.06 2.52 1.01 -1.26 -5.11 120.40 115.88 3dxk s VAL 30 Ca -0.07 -0.29 -0.36 0.00 0.00 0.00 0.00 61.98 61.25 3dxk s VAL 30 Cb 0.07 -0.93 -0.16 0.00 0.00 0.00 0.00 36.38 35.36 3dxk s VAL 30 CO 0.65 0.33 1.48 1.21 0.00 0.00 0.00 175.10 178.77 3dxk n GLU 31 N 4.44 1.48 -2.09 2.72 2.13 -1.26 -2.14 120.64 125.92 3dxk n GLU 31 Ca -0.17 0.54 -0.14 0.00 0.66 0.00 0.00 57.16 58.04 3dxk n GLU 31 Cb 0.51 -2.23 -0.02 0.00 0.27 0.00 0.00 31.44 29.96 3dxk n GLU 31 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3dxk n ARG 32 N 3.27 -1.85 -4.08 5.31 1.74 -1.26 -4.98 116.66 114.82 3dxk n ARG 32 Ca 0.19 0.73 -0.22 0.00 -0.77 0.00 0.00 57.85 57.78 3dxk n ARG 32 Cb 0.22 -5.23 -0.04 0.00 -1.02 0.00 0.00 32.46 26.39 3dxk n ARG 32 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3dxk s HIS 33 N -2.53 3.12 -0.17 -1.55 3.76 -0.91 -5.01 115.29 112.00 3dxk s HIS 33 Ca 0.00 -0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.75 3dxk s HIS 33 Cb 0.00 -1.45 0.09 0.00 1.11 0.00 0.00 32.58 32.33 3dxk s HIS 33 CO 0.00 0.48 0.26 1.21 -0.85 0.00 0.00 174.74 175.85 3dxk s ASN 34 N -3.87 0.73 0.05 1.40 3.84 -1.26 -0.47 114.94 115.36 3dxk s ASN 34 Ca 0.34 0.23 0.02 0.00 0.21 0.00 0.00 52.86 53.66 3dxk s ASN 34 Cb -0.08 0.64 -0.03 0.00 -0.55 0.00 0.00 41.25 41.23 3dxk s ASN 34 CO 0.25 -0.28 -0.08 -0.54 -2.79 0.00 0.00 177.10 173.67 3dxk s LYS 35 N 2.40 0.59 -0.58 0.43 1.02 -1.26 -4.98 119.74 117.36 3dxk s LYS 35 Ca 0.05 -0.87 -0.27 0.00 0.02 0.00 0.00 55.97 54.90 3dxk s LYS 35 Cb -0.14 -0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 36.88 3dxk s LYS 35 CO -0.11 0.04 1.75 -1.25 -0.92 0.00 0.00 175.35 174.86 3dxk s PRO 36 N -2.03 2.84 0.26 -1.68 0.04 -1.26 -4.87 135.00 128.30 3dxk s PRO 36 Ca -0.06 0.62 -0.02 0.00 0.04 0.00 0.00 61.00 61.59 3dxk s PRO 36 Cb -0.07 -4.32 0.57 0.00 0.04 0.00 0.00 34.50 30.72 3dxk s PRO 36 CO -0.01 -2.48 1.68 0.93 0.04 0.00 0.00 177.00 177.16 3dxk h GLU 37 N 13.83 0.26 0.00 4.56 4.39 -1.92 0.15 114.58 135.85 3dxk h GLU 37 Ca -0.27 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3dxk h GLU 37 Cb 1.15 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3dxk h GLU 37 CO 1.20 0.17 0.06 -0.24 -1.16 0.00 0.00 179.01 179.04 3dxk h VAL 38 N 0.27 0.00 0.00 3.13 3.04 -1.87 0.57 116.25 121.40 3dxk h VAL 38 Ca 0.47 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 65.93 3dxk h VAL 38 Cb 0.87 0.53 -0.04 0.00 -2.01 0.00 0.00 31.29 30.64 3dxk h VAL 38 CO -0.56 0.00 -1.42 -0.62 -1.01 0.00 0.00 177.57 173.96 3dxk n GLU 39 N -2.36 0.55 0.12 4.17 -0.58 0.49 -4.51 120.64 118.52 3dxk n GLU 39 Ca -0.02 0.48 0.03 0.00 -0.42 0.00 0.00 57.16 57.23 3dxk n GLU 39 Cb 0.09 -1.67 0.01 0.00 -0.57 0.00 0.00 31.44 29.31 3dxk n GLU 39 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 3dxk h VAL 40 N -1.00 0.74 -6.94 2.62 -1.51 -1.25 -3.48 116.25 105.43 3dxk h VAL 40 Ca -0.36 -2.09 -0.58 0.00 -1.23 0.00 0.00 66.70 62.44 3dxk h VAL 40 Cb 1.24 2.31 -0.31 0.00 -2.13 0.00 0.00 31.29 32.40 3dxk h VAL 40 CO -0.22 0.42 -0.84 0.54 -1.23 0.00 0.00 177.57 176.24 3dxk n ARG 41 N -3.14 -1.66 -0.12 5.19 1.74 0.20 -4.83 116.66 114.03 3dxk n ARG 41 Ca -0.00 0.22 0.09 0.00 -0.77 0.00 0.00 57.85 57.39 3dxk n ARG 41 Cb 0.74 -4.85 0.29 0.00 -1.02 0.00 0.00 32.46 27.62 3dxk n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3dxk n SER 42 N -2.48 1.79 -3.37 0.55 3.41 -1.26 -4.60 113.62 107.66 3dxk n SER 42 Ca 0.10 -1.82 -0.17 0.00 -0.26 0.00 0.00 58.87 56.72 3dxk n SER 42 Cb 0.47 -0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.18 3dxk n SER 42 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3dxk s SER 43 N -1.36 1.31 0.43 4.04 0.01 -1.26 -5.00 113.70 111.87 3dxk s SER 43 Ca 0.29 -1.41 0.24 0.00 1.31 0.00 0.00 55.95 56.38 3dxk s SER 43 Cb 0.16 0.53 1.24 0.00 0.21 0.00 0.00 66.02 68.16 3dxk s SER 43 CO 0.23 -0.29 1.74 0.11 0.41 0.00 0.00 173.24 175.44 3dxk h LYS 44 N 7.32 0.26 0.00 12.44 1.79 -1.97 0.12 116.57 136.53 3dxk h LYS 44 Ca 0.01 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3dxk h LYS 44 Cb 1.06 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.65 3dxk h LYS 44 CO 0.23 0.17 -0.11 1.05 -1.08 0.00 0.00 179.45 179.71 3dxk h GLU 45 N 0.27 0.00 -0.00 3.15 9.09 -1.99 -2.52 114.58 122.57 3dxk h GLU 45 Ca 0.65 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.06 3dxk h GLU 45 Cb 1.88 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.98 3dxk h GLU 45 CO -0.29 0.11 -0.01 1.28 0.05 0.00 0.00 179.01 180.15 3dxk n LEU 46 N -3.46 0.03 -4.90 3.06 4.77 0.03 -4.85 117.00 111.68 3dxk n LEU 46 Ca -0.01 0.28 -0.30 0.00 -0.03 0.00 0.00 56.01 55.95 3dxk n LEU 46 Cb 0.26 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 3dxk n LEU 46 CO 0.29 0.01 -0.16 -0.76 -1.33 0.00 0.00 177.39 175.44 3dxk s LEU 47 N -2.60 4.26 0.49 2.23 1.43 -0.95 -2.00 118.68 121.54 3dxk s LEU 47 Ca 0.27 0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.65 3dxk s LEU 47 Cb 0.20 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.59 3dxk s LEU 47 CO 0.47 0.14 0.57 -0.76 0.23 0.00 0.00 176.35 177.00 3dxk s LEU 48 N -2.68 3.24 -0.19 1.79 1.43 -1.04 -4.95 118.68 116.27 3dxk s LEU 48 Ca 0.34 -0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 52.36 3dxk s LEU 48 Cb -0.12 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 3dxk s LEU 48 CO 0.27 -0.99 1.22 -1.58 0.23 0.00 0.00 176.35 175.50 3dxk s GLN 49 N -4.39 4.20 0.27 1.70 2.00 -1.26 -4.67 119.66 117.50 3dxk s GLN 49 Ca 0.52 1.55 -0.30 0.00 -2.00 0.00 0.00 55.36 55.13 3dxk s GLN 49 Cb -0.06 -3.75 -0.11 0.00 0.80 0.00 0.00 33.01 29.90 3dxk s GLN 49 CO 0.32 -0.74 1.52 -2.14 -0.50 0.00 0.00 175.29 173.76 3dxk s PRO 50 N 3.51 4.19 0.18 1.67 0.02 -1.26 -4.78 135.00 138.53 3dxk s PRO 50 Ca 0.52 2.44 0.07 0.00 0.02 0.00 0.00 61.00 64.06 3dxk s PRO 50 Cb -0.20 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 3dxk s PRO 50 CO 0.14 -0.54 -0.15 0.14 -0.33 0.00 0.00 177.00 176.26 3dxk s VAL 51 N 0.06 1.64 -0.01 3.83 -7.23 -1.06 -5.00 120.40 112.62 3dxk s VAL 51 Ca 0.62 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 3dxk s VAL 51 Cb -0.45 -1.89 -0.00 0.00 0.56 0.00 0.00 36.38 34.60 3dxk s VAL 51 CO 0.45 -0.51 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.74 3dxk s THR 52 N -2.64 0.75 -0.17 5.32 2.01 -1.26 -0.72 115.64 118.92 3dxk s THR 52 Ca 0.18 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.80 3dxk s THR 52 Cb -0.02 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 71.87 3dxk s THR 52 CO 0.06 0.22 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.39 3dxk s ILE 53 N -0.12 1.91 0.02 1.82 1.09 -0.31 -4.96 121.20 120.65 3dxk s ILE 53 Ca 0.02 -0.85 0.07 0.00 -1.10 0.00 0.00 60.65 58.79 3dxk s ILE 53 Cb -0.05 -1.74 -0.03 0.00 -1.06 0.00 0.00 42.46 39.58 3dxk s ILE 53 CO -0.00 0.52 -0.20 -0.94 -0.10 0.00 0.00 174.94 174.22 3dxk s SER 54 N 1.31 3.66 -0.10 3.58 1.04 -1.26 -0.68 113.70 121.25 3dxk s SER 54 Ca 0.04 -0.42 0.17 0.00 0.48 0.00 0.00 55.95 56.22 3dxk s SER 54 Cb -0.13 -0.57 -0.24 0.00 0.10 0.00 0.00 66.02 65.18 3dxk s SER 54 CO -0.12 0.28 0.37 -1.14 0.98 0.00 0.00 173.24 173.61 3dxk n ARG 55 N 1.80 0.66 -1.20 4.02 0.63 -0.38 -4.99 116.66 117.20 3dxk n ARG 55 Ca -0.16 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 3dxk n ARG 55 Cb 0.52 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.81 3dxk n ARG 55 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3dxk n ASN 56 N -2.77 0.00 0.16 6.15 0.23 -1.21 -5.00 115.26 112.83 3dxk n ASN 56 Ca -0.22 -0.83 0.13 0.00 -0.53 0.00 0.00 54.58 53.13 3dxk n ASN 56 Cb 1.01 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 39.24 3dxk n ASN 56 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3dxk h GLU 57 N 0.00 0.00 0.00 -3.83 4.11 -2.04 -3.34 114.58 109.48 3dxk h GLU 57 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.18 3dxk h GLU 57 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3dxk h GLU 57 CO 0.00 0.00 -1.75 1.63 0.07 0.00 0.00 179.01 178.96 3dxk n LYS 58 N -2.41 0.45 -2.69 1.06 4.76 -1.26 -4.99 118.16 113.08 3dxk n LYS 58 Ca 0.02 0.19 -0.42 0.00 -2.87 0.00 0.00 58.31 55.23 3dxk n LYS 58 Cb 0.24 -1.27 -0.03 0.00 -1.84 0.00 0.00 35.03 32.14 3dxk n LYS 58 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3dxk s GLU 59 N -2.51 4.42 0.29 1.97 2.02 -1.26 -4.80 118.70 118.83 3dxk s GLU 59 Ca -0.28 1.38 -0.20 0.00 0.02 0.00 0.00 54.97 55.89 3dxk s GLU 59 Cb 0.09 -3.55 0.03 0.00 0.10 0.00 0.00 34.13 30.81 3dxk s GLU 59 CO 0.37 -0.32 0.76 -1.59 0.02 0.00 0.00 175.26 174.50 3dxk s LYS 60 N 2.05 1.82 -0.02 1.61 -2.85 -1.24 -1.25 119.74 119.85 3dxk s LYS 60 Ca 0.48 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 54.40 3dxk s LYS 60 Cb -0.18 0.59 0.03 0.00 -2.06 0.00 0.00 37.83 36.21 3dxk s LYS 60 CO 0.17 -0.84 0.02 0.08 0.10 0.00 0.00 175.35 174.88 3dxk s VAL 61 N -3.52 0.05 -0.21 1.79 1.01 0.15 -1.61 120.40 118.05 3dxk s VAL 61 Ca 0.12 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 3dxk s VAL 61 Cb -0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 3dxk s VAL 61 CO 0.07 0.11 0.04 -0.22 0.00 0.00 0.00 175.10 175.11 3dxk s LEU 62 N 1.05 3.48 -0.27 3.92 2.96 0.01 -1.17 118.68 128.67 3dxk s LEU 62 Ca -0.09 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 3dxk s LEU 62 Cb -0.13 -1.90 0.06 0.00 0.50 0.00 0.00 46.19 44.72 3dxk s LEU 62 CO -0.02 0.06 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.35 3dxk s ILE 63 N 1.05 2.29 -0.30 6.68 1.01 0.10 -1.31 121.20 130.71 3dxk s ILE 63 Ca 0.03 -1.63 -0.07 0.00 0.00 0.00 0.00 60.65 58.98 3dxk s ILE 63 Cb -0.14 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 39.98 3dxk s ILE 63 CO 0.03 -0.06 0.09 -1.61 0.00 0.00 0.00 174.94 173.38 3dxk s GLU 64 N 1.11 3.05 0.51 2.79 2.02 -0.51 -2.56 118.70 125.12 3dxk s GLU 64 Ca -0.08 -0.88 0.08 0.00 0.02 0.00 0.00 54.97 54.11 3dxk s GLU 64 Cb -0.20 -3.40 0.05 0.00 0.10 0.00 0.00 34.13 30.68 3dxk s GLU 64 CO -0.05 -0.47 0.64 0.20 0.02 0.00 0.00 175.26 175.60 3dxk s GLY 65 N 1.50 1.92 0.15 -1.39 0.00 -1.26 -0.69 107.32 107.54 3dxk s GLY 65 Ca 0.02 -1.88 -0.25 0.00 0.00 0.00 0.00 44.72 42.62 3dxk s GLY 65 CO 0.03 -1.68 1.00 -1.35 0.00 0.00 0.00 173.10 171.10 3dxk s SER 66 N -4.47 -0.13 0.49 1.64 1.04 -0.67 -2.51 113.70 109.09 3dxk s SER 66 Ca 0.55 -0.45 0.19 0.00 0.48 0.00 0.00 55.95 56.72 3dxk s SER 66 Cb -0.06 0.47 1.23 0.00 0.10 0.00 0.00 66.02 67.77 3dxk s SER 66 CO 0.34 -0.89 2.02 -0.29 0.98 0.00 0.00 173.24 175.40 3dxk h ILE 67 N 2.00 0.84 0.00 -1.02 2.10 -1.78 -3.22 117.51 116.44 3dxk h ILE 67 Ca -0.25 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.63 3dxk h ILE 67 Cb 1.23 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 3dxk h ILE 67 CO 0.28 0.03 -0.11 -0.46 -1.08 0.00 0.00 178.15 176.81 3dxk n ASN 68 N -4.44 1.31 -3.61 2.19 6.94 -1.26 -2.02 115.26 114.36 3dxk n ASN 68 Ca 0.07 -2.16 -0.04 0.00 -0.02 0.00 0.00 54.58 52.43 3dxk n ASN 68 Cb 0.42 -0.18 -0.03 0.00 -2.36 0.00 0.00 39.78 37.63 3dxk n ASN 68 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3dxk s SER 69 N -1.41 -0.13 -0.02 0.53 1.04 -1.22 -1.85 113.70 110.64 3dxk s SER 69 Ca 0.10 0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.66 3dxk s SER 69 Cb 0.09 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 3dxk s SER 69 CO 0.01 -0.16 -0.14 -0.69 0.98 0.00 0.00 173.24 173.23 3dxk s VAL 70 N -1.60 1.17 -0.23 5.02 1.01 -0.16 -1.68 120.40 123.93 3dxk s VAL 70 Ca 0.07 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 3dxk s VAL 70 Cb -0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3dxk s VAL 70 CO -0.05 0.34 -0.00 -0.60 0.00 0.00 0.00 175.10 174.79 3dxk s ARG 71 N -0.17 3.42 -0.22 2.72 3.52 0.13 -1.08 118.95 127.27 3dxk s ARG 71 Ca 0.02 -0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 55.00 3dxk s ARG 71 Cb -0.08 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.21 3dxk s ARG 71 CO 0.00 -0.22 -0.10 0.08 -0.81 0.00 0.00 175.30 174.25 3dxk s VAL 72 N 1.52 2.71 -0.07 7.11 1.01 -0.37 -1.43 120.40 130.88 3dxk s VAL 72 Ca 0.06 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3dxk s VAL 72 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3dxk s VAL 72 CO -0.01 0.34 -0.09 -0.44 0.00 0.00 0.00 175.10 174.89 3dxk s SER 73 N 1.34 4.43 -0.03 3.32 0.01 -0.42 0.33 113.70 122.66 3dxk s SER 73 Ca 0.02 -0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.24 3dxk s SER 73 Cb -0.15 -1.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.97 3dxk s SER 73 CO -0.07 0.34 -0.18 -0.63 0.41 0.00 0.00 173.24 173.11 3dxk s ILE 74 N -0.70 1.50 -0.39 1.44 1.01 -0.28 -0.81 121.20 122.97 3dxk s ILE 74 Ca 0.11 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 3dxk s ILE 74 Cb -0.11 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.10 3dxk s ILE 74 CO 0.01 0.43 0.28 0.00 0.00 0.00 0.00 174.94 175.66 3dxk s ALA 75 N -0.17 3.47 0.22 9.38 0.00 -0.63 -1.35 121.76 132.68 3dxk s ALA 75 Ca 0.01 -1.63 -0.25 0.00 0.00 0.00 0.00 51.96 50.09 3dxk s ALA 75 Cb -0.10 -2.80 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 3dxk s ALA 75 CO 0.01 -1.32 0.82 0.08 0.00 0.00 0.00 175.76 175.34 3dxk s VAL 76 N 1.68 4.34 0.09 0.00 1.01 -1.26 -3.66 120.40 122.60 3dxk s VAL 76 Ca 0.05 1.68 -0.31 0.00 0.00 0.00 0.00 61.98 63.40 3dxk s VAL 76 Cb -0.19 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 3dxk s VAL 76 CO 0.10 0.37 1.72 -0.75 0.00 0.00 0.00 175.10 176.54 3dxk s LYS 77 N -1.52 4.17 -0.34 2.72 2.20 -1.26 -4.87 119.74 120.84 3dxk s LYS 77 Ca 0.41 2.43 -0.01 0.00 -0.36 0.00 0.00 55.97 58.44 3dxk s LYS 77 Cb -0.21 -3.59 0.13 0.00 -1.51 0.00 0.00 37.83 32.64 3dxk s LYS 77 CO 0.25 -0.77 0.18 -0.65 -0.36 0.00 0.00 175.35 174.00 3dxk s GLN 78 N 2.66 0.53 0.05 4.03 -0.21 -1.26 -4.94 119.66 120.52 3dxk s GLN 78 Ca 0.76 -1.16 -0.31 0.00 0.02 0.00 0.00 55.36 54.67 3dxk s GLN 78 Cb -0.42 -1.42 -0.18 0.00 1.00 0.00 0.00 33.01 31.99 3dxk s GLN 78 CO 0.34 -1.14 1.44 0.00 -2.12 0.00 0.00 175.29 173.82 3dxk h ALA 79 N 7.45 -0.93 -1.56 6.09 0.00 -1.93 -3.46 119.26 124.92 3dxk h ALA 79 Ca -0.03 -0.22 -0.58 0.00 0.00 0.00 0.00 54.91 54.08 3dxk h ALA 79 Cb 0.98 0.36 -0.13 0.00 0.00 0.00 0.00 17.79 19.00 3dxk h ALA 79 CO 0.35 -0.97 -0.50 0.16 0.00 0.00 0.00 179.25 178.29 3dxk s ASP 80 N -4.43 2.91 0.22 0.00 1.47 -1.26 -5.03 116.67 110.55 3dxk s ASP 80 Ca -0.17 -1.72 -0.10 0.00 1.18 0.00 0.00 52.55 51.75 3dxk s ASP 80 Cb 0.03 0.58 0.32 0.00 -0.34 0.00 0.00 42.92 43.50 3dxk s ASP 80 CO 0.56 -0.97 1.67 -0.33 0.68 0.00 0.00 175.17 176.78 3dxk h GLU 81 N 1.73 0.14 -0.74 2.11 5.08 -2.00 -1.72 114.58 119.18 3dxk h GLU 81 Ca -0.35 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.04 3dxk h GLU 81 Cb 1.28 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 3dxk h GLU 81 CO 0.55 0.09 0.46 0.97 -1.00 0.00 0.00 179.01 180.09 3dxk h ILE 82 N 0.15 1.10 -0.55 3.13 6.09 -2.00 -2.22 117.51 123.22 3dxk h ILE 82 Ca 0.34 -0.31 -0.11 0.00 -1.37 0.00 0.00 64.86 63.41 3dxk h ILE 82 Cb 0.55 0.12 -0.02 0.00 0.47 0.00 0.00 36.82 37.94 3dxk h ILE 82 CO -0.52 0.16 -0.07 -0.33 -3.07 0.00 0.00 178.15 174.32 3dxk h GLU 83 N 0.90 1.00 -0.76 2.19 5.08 -1.78 -1.13 114.58 120.09 3dxk h GLU 83 Ca 0.30 -0.35 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3dxk h GLU 83 Cb 0.02 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3dxk h GLU 83 CO -0.11 1.03 0.49 -0.22 -1.00 0.00 0.00 179.01 179.19 3dxk h LYS 84 N 0.90 0.94 0.03 2.33 3.64 -0.94 0.16 116.57 123.63 3dxk h LYS 84 Ca 0.15 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.25 3dxk h LYS 84 Cb 0.63 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3dxk h LYS 84 CO 0.04 0.62 -1.03 -0.84 -2.27 0.00 0.00 179.45 175.97 3dxk h ILE 85 N 0.97 1.64 -0.34 2.00 -0.00 -1.27 -2.19 117.51 118.32 3dxk h ILE 85 Ca 0.30 -3.23 -0.17 0.00 -0.00 0.00 0.00 64.86 61.76 3dxk h ILE 85 Cb -0.03 2.82 -0.00 0.00 -0.00 0.00 0.00 36.82 39.60 3dxk h ILE 85 CO -0.09 0.93 -0.44 -0.07 -0.00 0.00 0.00 178.15 178.47 3dxk h LEU 86 N 0.03 0.95 -0.42 0.16 3.38 -0.94 -0.87 115.31 117.60 3dxk h LEU 86 Ca -0.04 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 3dxk h LEU 86 Cb 1.77 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 3dxk h LEU 86 CO 0.15 1.25 0.11 0.00 0.09 0.00 0.00 178.44 180.03 3dxk h HIS 88 N 0.54 1.01 -0.48 0.00 -0.00 -1.30 0.90 115.15 115.83 3dxk h HIS 88 Ca 0.13 -0.10 -0.12 0.00 -0.00 0.00 0.00 60.37 60.28 3dxk h HIS 88 Cb 0.31 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 3dxk h HIS 88 CO 0.02 0.82 -0.19 0.87 -0.00 0.00 0.00 177.93 179.45 3dxk h LYS 89 N 0.90 0.96 -0.27 5.26 1.57 -1.03 -2.41 116.57 121.55 3dxk h LYS 89 Ca 0.21 -0.39 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 3dxk h LYS 89 Cb 0.27 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3dxk h LYS 89 CO -0.01 1.06 -0.26 0.35 -0.57 0.00 0.00 179.45 180.02 3dxk h PHE 90 N 0.84 0.60 -0.15 -1.35 3.57 -0.72 -1.28 116.94 118.43 3dxk h PHE 90 Ca 0.12 -0.13 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 3dxk h PHE 90 Cb 0.75 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3dxk h PHE 90 CO 0.05 0.74 -0.70 0.52 -2.23 0.00 0.00 178.31 176.68 3dxk h MET 91 N 0.46 0.66 -0.20 1.11 2.86 -0.69 -2.82 114.93 116.31 3dxk h MET 91 Ca 0.07 -0.50 -0.09 0.00 -2.06 0.00 0.00 59.70 57.12 3dxk h MET 91 Cb 0.69 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 3dxk h MET 91 CO 0.05 1.12 -0.26 -0.09 1.06 0.00 0.00 176.91 178.80 3dxk h ARG 92 N 0.46 0.37 -0.32 1.72 2.43 -1.32 -0.52 114.38 117.21 3dxk h ARG 92 Ca -0.03 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.01 3dxk h ARG 92 Cb 1.30 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 3dxk h ARG 92 CO 0.14 0.61 0.20 0.35 -1.51 0.00 0.00 179.97 179.76 3dxk h PHE 93 N 0.33 0.38 -0.09 2.20 3.57 -1.11 -0.31 116.94 121.91 3dxk h PHE 93 Ca 0.05 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.37 3dxk h PHE 93 Cb 0.63 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3dxk h PHE 93 CO 0.02 0.23 -0.73 0.52 -2.23 0.00 0.00 178.31 176.12 3dxk h MET 94 N 0.41 0.45 -0.22 1.11 2.86 -1.27 -3.20 114.93 115.07 3dxk h MET 94 Ca 0.12 -0.37 -0.07 0.00 -2.06 0.00 0.00 59.70 57.32 3dxk h MET 94 Cb -0.03 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3dxk h MET 94 CO -0.04 1.00 -0.17 0.52 1.06 0.00 0.00 176.91 179.28 3dxk h MET 95 N 0.31 0.38 0.00 1.72 2.86 -0.70 -1.61 114.93 117.89 3dxk h MET 95 Ca -0.03 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3dxk h MET 95 Cb 1.31 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.93 3dxk h MET 95 CO 0.13 0.55 0.00 1.98 1.06 0.00 0.00 176.91 180.63 3dxk h MET 96 N 0.35 0.00 -0.46 1.72 -1.53 -1.06 -1.51 114.93 112.44 3dxk h MET 96 Ca 0.06 0.00 -0.18 0.00 -3.44 0.00 0.00 59.70 56.15 3dxk h MET 96 Cb 0.51 0.00 -0.11 0.00 -0.55 0.00 0.00 31.60 31.45 3dxk h MET 96 CO 0.03 0.00 0.08 0.54 0.14 0.00 0.00 176.91 177.70 3dxk n ARG 97 N -2.97 2.44 0.12 0.39 1.74 -0.64 -4.74 116.66 113.00 3dxk n ARG 97 Ca -0.00 -3.06 0.16 0.00 -0.77 0.00 0.00 57.85 54.18 3dxk n ARG 97 Cb 0.24 -1.92 0.70 0.00 -1.02 0.00 0.00 32.46 30.46 3dxk n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dxk h ALA 98 N 1.44 2.20 -0.27 7.54 0.00 -0.89 -2.24 119.26 127.04 3dxk h ALA 98 Ca 0.22 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3dxk h ALA 98 Cb 1.84 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 3dxk h ALA 98 CO 0.48 -0.37 -0.23 0.93 0.00 0.00 0.00 179.25 180.06 3dxk h GLU 99 N 0.00 0.50 0.00 0.00 5.08 -1.85 -2.43 114.58 115.88 3dxk h GLU 99 Ca 0.14 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3dxk h GLU 99 Cb 0.58 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3dxk h GLU 99 CO -0.00 0.69 -0.23 -0.91 -1.00 0.00 0.00 179.01 177.56 3dxk h ASN 100 N 0.44 0.00 -2.02 1.42 2.35 -1.80 -3.27 115.58 112.70 3dxk h ASN 100 Ca 0.07 0.00 -0.70 0.00 -0.55 0.00 0.00 56.30 55.12 3dxk h ASN 100 Cb 0.64 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.67 3dxk h ASN 100 CO 0.05 0.23 0.29 0.33 -1.65 0.00 0.00 177.43 176.68 3dxk n PHE 101 N -3.18 3.25 0.00 1.19 -0.00 -0.94 -4.94 117.46 112.85 3dxk n PHE 101 Ca 0.03 -2.92 0.00 0.00 -0.00 0.00 0.00 57.45 54.55 3dxk n PHE 101 Cb 0.60 -0.79 0.00 0.00 -0.00 0.00 0.00 39.48 39.28 3dxk n PHE 101 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.76 178.73 3dxk n PHE 102 N -0.33 0.00 0.46 -5.13 1.16 -1.08 -0.63 117.46 111.91 3dxk n PHE 102 Ca 0.44 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 56.07 3dxk n PHE 102 Cb 0.37 -0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.28 3dxk n PHE 102 CO 0.00 0.00 0.00 0.44 -1.87 0.00 0.00 176.76 175.33 3dxk n ILE 103 N -0.62 0.00 -3.38 1.97 -5.35 -1.26 -4.93 119.36 105.79 3dxk n ILE 103 Ca 0.00 -0.49 -0.38 0.00 -0.27 0.00 0.00 62.75 61.61 3dxk n ILE 103 Cb 0.10 1.22 -0.06 0.00 -1.74 0.00 0.00 39.64 39.15 3dxk n ILE 103 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3dxk s LEU 104 N -1.01 4.51 0.54 7.28 1.43 0.20 0.50 118.68 132.13 3dxk s LEU 104 Ca 0.12 1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 54.19 3dxk s LEU 104 Cb 0.09 -2.75 -0.07 0.00 0.03 0.00 0.00 46.19 43.49 3dxk s LEU 104 CO 0.15 0.30 1.00 -0.13 0.23 0.00 0.00 176.35 177.90 3dxk s ARG 105 N -1.10 3.83 0.43 1.70 0.52 0.06 -4.76 118.95 119.63 3dxk s ARG 105 Ca 0.27 0.95 0.27 0.00 -0.52 0.00 0.00 55.73 56.69 3dxk s ARG 105 Cb -0.18 -2.12 0.77 0.00 0.52 0.00 0.00 34.95 33.94 3dxk s ARG 105 CO 0.16 -0.37 1.76 0.00 0.02 0.00 0.00 175.30 176.87 3dxk h ARG 106 N 0.69 0.00 -3.44 3.54 3.08 -1.88 -3.45 114.38 112.92 3dxk h ARG 106 Ca -0.46 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.43 3dxk h ARG 106 Cb 1.19 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.02 3dxk h ARG 106 CO 0.61 0.00 -0.49 0.15 -1.07 0.00 0.00 179.97 179.17 3dxk s LYS 107 N -3.34 0.42 0.69 0.04 1.02 -1.26 -4.86 119.74 112.45 3dxk s LYS 107 Ca 0.06 -0.22 -0.11 0.00 0.02 0.00 0.00 55.97 55.72 3dxk s LYS 107 Cb 0.08 0.18 0.01 0.00 -0.52 0.00 0.00 37.83 37.57 3dxk s LYS 107 CO 0.60 -0.09 1.06 -2.14 -0.92 0.00 0.00 175.35 173.85 3dxk s PRO 108 N -0.98 2.95 0.29 -1.68 0.02 -1.26 -4.71 135.00 129.63 3dxk s PRO 108 Ca -0.11 0.96 -0.29 0.00 0.02 0.00 0.00 61.00 61.58 3dxk s PRO 108 Cb -0.06 -1.99 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 3dxk s PRO 108 CO 0.01 -1.09 1.16 0.08 -0.33 0.00 0.00 177.00 176.83 3dxk s VAL 109 N -3.03 3.27 -0.11 3.83 1.01 -1.26 -4.89 120.40 119.22 3dxk s VAL 109 Ca 0.58 1.28 -0.35 0.00 0.00 0.00 0.00 61.98 63.49 3dxk s VAL 109 Cb -0.14 -3.81 -0.12 0.00 0.00 0.00 0.00 36.38 32.30 3dxk s VAL 109 CO 0.55 0.31 1.86 1.21 0.00 0.00 0.00 175.10 179.02 3dxk n GLU 110 N 1.09 2.06 0.00 2.72 2.13 -1.26 -2.02 120.64 125.36 3dxk n GLU 110 Ca -0.01 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.57 3dxk n GLU 110 Cb 0.44 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.57 3dxk n GLU 110 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dxk n GLY 111 N 4.37 0.83 3.24 8.31 0.00 -1.26 -5.10 105.19 115.57 3dxk n GLY 111 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 3dxk n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dxk s TYR 112 N -2.00 1.20 0.02 1.61 1.51 -0.86 -4.88 117.35 113.95 3dxk s TYR 112 Ca 0.00 -0.99 0.11 0.00 -1.01 0.00 0.00 57.07 55.18 3dxk s TYR 112 Cb 0.00 -0.68 -0.19 0.00 -0.11 0.00 0.00 41.96 40.98 3dxk s TYR 112 CO 0.00 -0.18 1.04 -0.44 -1.11 0.00 0.00 175.55 174.86 3dxk h ASP 113 N 2.71 0.00 -5.00 2.29 3.32 -1.52 -3.43 116.42 114.80 3dxk h ASP 113 Ca -0.37 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 3dxk h ASP 113 Cb 1.20 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.56 3dxk h ASP 113 CO 0.63 0.92 0.03 -0.51 -1.72 0.00 0.00 179.24 178.59 3dxk s ILE 114 N -2.71 0.02 0.02 0.35 1.10 -1.17 -4.80 121.20 114.01 3dxk s ILE 114 Ca -0.01 -0.17 0.01 0.00 -0.51 0.00 0.00 60.65 59.97 3dxk s ILE 114 Cb 0.09 -0.88 -0.01 0.00 0.15 0.00 0.00 42.46 41.81 3dxk s ILE 114 CO 0.81 -0.09 -0.04 -0.44 -2.11 0.00 0.00 174.94 173.07 3dxk s SER 115 N -1.29 0.42 0.16 4.50 0.01 -1.26 -1.13 113.70 115.11 3dxk s SER 115 Ca -0.11 -0.31 0.07 0.00 1.31 0.00 0.00 55.95 56.91 3dxk s SER 115 Cb -0.02 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 3dxk s SER 115 CO 0.07 -0.13 -0.01 -0.36 0.41 0.00 0.00 173.24 173.23 3dxk s PHE 116 N -0.81 2.86 -0.32 2.43 0.40 0.15 -0.76 117.98 121.94 3dxk s PHE 116 Ca -0.07 -0.12 -0.02 0.00 -0.60 0.00 0.00 56.93 56.12 3dxk s PHE 116 Cb -0.06 -1.41 0.11 0.00 0.51 0.00 0.00 43.02 42.17 3dxk s PHE 116 CO -0.00 0.50 0.14 -1.17 0.70 0.00 0.00 175.22 175.39 3dxk s LEU 117 N -2.79 1.24 -0.23 -0.37 2.96 0.18 -1.24 118.68 118.43 3dxk s LEU 117 Ca 0.27 -1.64 -0.13 0.00 -0.22 0.00 0.00 54.13 52.41 3dxk s LEU 117 Cb -0.10 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 3dxk s LEU 117 CO 0.18 -0.40 0.28 -0.63 -1.32 0.00 0.00 176.35 174.47 3dxk s ILE 118 N 1.67 5.27 0.46 6.68 1.01 -0.25 -4.66 121.20 131.38 3dxk s ILE 118 Ca 0.11 0.44 0.07 0.00 0.00 0.00 0.00 60.65 61.27 3dxk s ILE 118 Cb -0.18 -3.62 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 3dxk s ILE 118 CO -0.24 0.27 0.39 0.42 0.00 0.00 0.00 174.94 175.78 3dxk s THR 119 N 1.36 2.29 0.38 2.92 -4.23 -1.26 -0.98 115.64 116.12 3dxk s THR 119 Ca 0.13 -1.41 0.06 0.00 -1.18 0.00 0.00 61.69 59.29 3dxk s THR 119 Cb -0.14 -2.70 0.22 0.00 1.34 0.00 0.00 72.50 71.21 3dxk s THR 119 CO 0.07 0.00 1.98 -0.55 -0.54 0.00 0.00 174.62 175.58 3dxk h ASN 120 N 0.94 0.46 -0.79 3.99 -1.07 -1.69 -0.32 115.58 117.10 3dxk h ASN 120 Ca -0.40 -0.05 0.00 0.00 0.07 0.00 0.00 56.30 55.93 3dxk h ASN 120 Cb 1.28 -0.12 -0.04 0.00 -2.07 0.00 0.00 38.32 37.37 3dxk h ASN 120 CO 0.58 0.43 0.51 -0.26 0.07 0.00 0.00 177.43 178.76 3dxk h PHE 121 N 0.51 1.00 -0.29 4.14 -1.00 -1.95 -0.34 116.94 119.02 3dxk h PHE 121 Ca 0.13 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.85 3dxk h PHE 121 Cb 0.12 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.34 3dxk h PHE 121 CO 0.00 0.64 -0.10 0.45 -1.61 0.00 0.00 178.31 177.69 3dxk h HIS 122 N 1.08 0.66 0.00 -0.55 3.86 -1.47 -2.89 115.15 115.83 3dxk h HIS 122 Ca 0.29 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3dxk h HIS 122 Cb -0.11 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.21 3dxk h HIS 122 CO 0.00 0.80 0.00 0.25 0.86 0.00 0.00 177.93 179.84 3dxk n THR 123 N -4.46 0.73 0.01 2.45 -2.24 -0.70 -1.23 114.28 108.84 3dxk n THR 123 Ca -0.03 0.18 -0.06 0.00 -2.27 0.00 0.00 64.05 61.87 3dxk n THR 123 Cb 0.34 -0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 67.58 3dxk n THR 123 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3dxk h GLU 124 N 0.00 0.00 -0.09 -0.78 5.08 -0.88 -3.36 114.58 114.55 3dxk h GLU 124 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dxk h GLU 124 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3dxk h GLU 124 CO 0.00 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.57 3dxk n GLN 125 N -3.09 1.33 -4.05 2.33 10.64 -1.03 -4.96 117.38 118.55 3dxk n GLN 125 Ca -0.11 -1.51 -0.14 0.00 -1.83 0.00 0.00 57.00 53.40 3dxk n GLN 125 Cb 0.98 -1.29 -0.14 0.00 -0.86 0.00 0.00 30.24 28.93 3dxk n GLN 125 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 3dxk s MET 126 N -1.17 0.29 -0.02 2.61 -1.94 -0.37 -5.09 119.30 113.60 3dxk s MET 126 Ca 0.19 -0.19 -0.30 0.00 -1.71 0.00 0.00 55.69 53.68 3dxk s MET 126 Cb 0.13 -0.24 -0.07 0.00 2.01 0.00 0.00 34.83 36.66 3dxk s MET 126 CO 0.19 0.06 1.76 0.71 -0.01 0.00 0.00 175.02 177.72 3dxk s TYR 127 N -0.25 1.76 0.54 -0.03 1.51 -1.26 -4.49 117.35 115.13 3dxk s TYR 127 Ca -0.01 -0.02 0.22 0.00 -1.01 0.00 0.00 57.07 56.25 3dxk s TYR 127 Cb -0.02 -4.03 1.44 0.00 -0.11 0.00 0.00 41.96 39.24 3dxk s TYR 127 CO -0.00 -4.42 2.12 1.57 -1.11 0.00 0.00 175.55 173.71 3dxk h LYS 128 N 9.84 0.00 0.00 -0.62 2.10 -1.92 0.17 116.57 126.14 3dxk h LYS 128 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3dxk h LYS 128 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3dxk h LYS 128 CO 0.95 0.00 0.00 1.12 -2.00 0.00 0.00 179.45 179.52 3dxk h HIS 129 N 0.00 0.00 0.00 0.07 2.07 -1.97 -1.33 115.15 113.99 3dxk h HIS 129 Ca 0.07 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.40 3dxk h HIS 129 Cb 0.30 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.25 3dxk h HIS 129 CO 0.00 0.00 -1.27 0.87 -3.07 0.00 0.00 177.93 174.46 3dxk h LYS 130 N 0.00 0.00 -0.04 5.12 1.79 -1.04 -2.75 116.57 119.65 3dxk h LYS 130 Ca 0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 3dxk h LYS 130 Cb 0.55 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.22 3dxk h LYS 130 CO 0.00 0.43 -0.78 -0.07 -1.08 0.00 0.00 179.45 177.96 3dxk h LEU 131 N 0.00 0.75 -1.14 2.94 3.38 -1.05 -0.93 115.31 119.26 3dxk h LEU 131 Ca -0.14 -0.72 0.02 0.00 0.09 0.00 0.00 57.88 57.13 3dxk h LEU 131 Cb 1.65 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 3dxk h LEU 131 CO 0.06 1.36 0.59 0.58 0.09 0.00 0.00 178.44 181.12 3dxk h VAL 132 N 0.20 1.20 -0.48 1.22 2.07 -1.35 -0.76 116.25 118.35 3dxk h VAL 132 Ca -0.09 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 3dxk h VAL 132 Cb 1.45 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3dxk h VAL 132 CO 0.15 0.21 -0.07 0.44 0.02 0.00 0.00 177.57 178.32 3dxk h ASP 133 N 1.17 0.83 -0.70 0.57 3.32 -1.26 -2.82 116.42 117.53 3dxk h ASP 133 Ca 0.34 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3dxk h ASP 133 Cb -0.07 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 3dxk h ASP 133 CO -0.08 0.94 0.22 0.15 -1.72 0.00 0.00 179.24 178.74 3dxk h PHE 134 N 0.77 1.12 -0.41 4.55 3.57 0.17 0.21 116.94 126.92 3dxk h PHE 134 Ca 0.13 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 3dxk h PHE 134 Cb 0.57 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3dxk h PHE 134 CO 0.03 0.89 0.01 0.28 -2.23 0.00 0.00 178.31 177.30 3dxk h VAL 135 N 1.02 1.22 -0.02 1.41 2.07 -1.08 0.33 116.25 121.20 3dxk h VAL 135 Ca 0.23 -0.87 -0.13 0.00 0.82 0.00 0.00 66.70 66.75 3dxk h VAL 135 Cb 0.30 0.90 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3dxk h VAL 135 CO -0.01 0.30 -0.51 0.40 0.02 0.00 0.00 177.57 177.78 3dxk h ILE 136 N 0.61 1.44 -0.80 4.57 1.08 -1.23 -2.54 117.51 120.63 3dxk h ILE 136 Ca 0.13 -2.00 0.08 0.00 -0.39 0.00 0.00 64.86 62.67 3dxk h ILE 136 Cb 0.37 2.57 -0.05 0.00 -3.07 0.00 0.00 36.82 36.63 3dxk h ILE 136 CO 0.01 0.58 0.53 -0.74 -0.69 0.00 0.00 178.15 177.83 3dxk h HIS 137 N -0.16 0.85 -0.24 1.37 -0.00 -0.39 -2.32 115.15 114.28 3dxk h HIS 137 Ca -0.06 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 3dxk h HIS 137 Cb 1.21 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 28.34 3dxk h HIS 137 CO 0.15 0.43 0.05 0.35 -0.00 0.00 0.00 177.93 178.91 3dxk h PHE 138 N 0.83 0.40 -0.61 5.26 3.57 -0.31 -1.17 116.94 124.90 3dxk h PHE 138 Ca 0.36 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3dxk h PHE 138 Cb 0.32 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 3dxk h PHE 138 CO -0.00 0.49 0.32 0.52 -2.23 0.00 0.00 178.31 177.41 3dxk h MET 139 N 0.20 0.86 -0.12 1.11 2.86 -0.99 -1.38 114.93 117.46 3dxk h MET 139 Ca 0.07 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3dxk h MET 139 Cb 0.30 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 3dxk h MET 139 CO 0.00 0.66 0.01 0.93 1.06 0.00 0.00 176.91 179.58 3dxk h GLU 140 N 0.83 0.21 -0.43 1.72 5.08 -1.41 -3.25 114.58 117.33 3dxk h GLU 140 Ca 0.21 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3dxk h GLU 140 Cb 0.07 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3dxk h GLU 140 CO -0.03 0.43 -0.08 0.93 -1.00 0.00 0.00 179.01 179.26 3dxk h GLU 141 N -0.04 0.75 0.00 2.33 4.39 -1.09 -2.84 114.58 118.08 3dxk h GLU 141 Ca 0.04 -0.23 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 3dxk h GLU 141 Cb 0.33 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3dxk h GLU 141 CO 0.00 0.81 -0.34 -0.84 -1.16 0.00 0.00 179.01 177.49 3dxk h ILE 142 N 0.69 0.98 -0.51 3.13 3.07 -1.33 -1.31 117.51 122.23 3dxk h ILE 142 Ca 0.12 -1.29 -0.07 0.00 1.55 0.00 0.00 64.86 65.17 3dxk h ILE 142 Cb 0.54 1.75 -0.02 0.00 -0.27 0.00 0.00 36.82 38.82 3dxk h ILE 142 CO 0.03 0.33 0.03 0.44 -1.05 0.00 0.00 178.15 177.93 3dxk h ASP 143 N 0.00 0.85 -0.51 2.16 3.32 -1.53 -1.96 116.42 118.75 3dxk h ASP 143 Ca -0.00 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.65 3dxk h ASP 143 Cb 0.72 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3dxk h ASP 143 CO 0.04 0.93 -0.10 0.11 -1.72 0.00 0.00 179.24 178.51 3dxk h LYS 144 N 0.74 0.96 -0.54 3.56 1.57 -1.32 -2.15 116.57 119.39 3dxk h LYS 144 Ca 0.15 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 3dxk h LYS 144 Cb 0.48 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3dxk h LYS 144 CO 0.02 1.02 0.08 1.49 -0.57 0.00 0.00 179.45 181.49 3dxk h GLU 145 N 0.82 0.87 -0.18 3.15 4.57 -1.13 -1.04 114.58 121.65 3dxk h GLU 145 Ca 0.13 -0.21 -0.12 0.00 -1.18 0.00 0.00 59.36 57.98 3dxk h GLU 145 Cb 0.65 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3dxk h GLU 145 CO 0.05 0.82 -0.42 0.82 -1.18 0.00 0.00 179.01 179.10 3dxk h ILE 146 N 0.83 1.31 -0.33 2.32 2.04 -1.27 -1.15 117.51 121.26 3dxk h ILE 146 Ca 0.17 -1.57 -0.08 0.00 1.00 0.00 0.00 64.86 64.38 3dxk h ILE 146 Cb 0.39 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3dxk h ILE 146 CO 0.01 0.48 -0.09 0.28 0.00 0.00 0.00 178.15 178.83 3dxk h SER 147 N 0.34 0.65 -0.52 1.72 0.02 -0.88 -1.97 113.55 112.92 3dxk h SER 147 Ca 0.03 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.53 3dxk h SER 147 Cb 0.88 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3dxk h SER 147 CO 0.07 0.88 0.06 -0.33 -1.14 0.00 0.00 176.83 176.37 3dxk h GLU 148 N 0.42 0.92 -0.38 3.45 4.39 -1.06 -1.88 114.58 120.45 3dxk h GLU 148 Ca 0.08 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 3dxk h GLU 148 Cb 0.60 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3dxk h GLU 148 CO 0.04 0.87 0.16 0.52 -1.16 0.00 0.00 179.01 179.44 3dxk h MET 149 N 0.87 0.57 -0.50 2.33 2.86 -1.12 0.95 114.93 120.88 3dxk h MET 149 Ca 0.17 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 57.77 3dxk h MET 149 Cb 0.42 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 3dxk h MET 149 CO 0.01 0.54 0.20 -0.22 1.06 0.00 0.00 176.91 178.50 3dxk h LYS 150 N 0.48 0.39 -0.30 1.72 3.64 -1.07 -0.73 116.57 120.70 3dxk h LYS 150 Ca 0.13 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 3dxk h LYS 150 Cb 0.18 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3dxk h LYS 150 CO -0.01 0.26 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.12 3dxk h LEU 151 N 0.40 0.57 -0.26 5.20 3.38 -0.96 -2.81 115.31 120.82 3dxk h LEU 151 Ca 0.23 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3dxk h LEU 151 Cb 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3dxk h LEU 151 CO -0.21 0.80 0.03 0.28 0.09 0.00 0.00 178.44 179.42 3dxk h SER 152 N 0.51 0.43 0.15 -0.43 0.02 0.02 -0.37 113.55 113.88 3dxk h SER 152 Ca 0.07 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3dxk h SER 152 Cb 0.67 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3dxk h SER 152 CO 0.05 0.60 -0.17 0.58 -1.14 0.00 0.00 176.83 176.76 3dxk h VAL 153 N 0.25 0.63 -0.70 2.27 2.07 -1.10 -0.33 116.25 119.34 3dxk h VAL 153 Ca 0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.66 3dxk h VAL 153 Cb 0.36 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 3dxk h VAL 153 CO 0.01 0.00 0.39 0.78 0.02 0.00 0.00 177.57 178.77 3dxk h ASN 154 N -0.35 0.58 -0.08 0.57 4.21 -1.46 0.35 115.58 119.39 3dxk h ASN 154 Ca 0.01 0.03 0.03 0.00 1.21 0.00 0.00 56.30 57.57 3dxk h ASN 154 Cb 0.34 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.43 3dxk h ASN 154 CO -0.05 0.37 -0.08 0.00 -1.29 0.00 0.00 177.43 176.37 3dxk h ALA 155 N 1.36 -0.03 0.00 -0.83 0.00 -0.57 -1.16 119.26 118.03 3dxk h ALA 155 Ca 0.31 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 3dxk h ALA 155 Cb 0.20 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3dxk h ALA 155 CO -0.19 -0.55 -0.52 0.07 0.00 0.00 0.00 179.25 178.05 3dxk h ARG 156 N -0.11 0.00 0.05 0.00 0.11 -0.48 -2.89 114.38 111.06 3dxk h ARG 156 Ca 0.06 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 3dxk h ARG 156 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 3dxk h ARG 156 CO -0.14 0.52 -0.03 0.00 0.10 0.00 0.00 179.97 180.42 3dxk h ALA 157 N 1.48 -0.07 -0.18 0.08 0.00 0.31 -0.54 119.26 120.33 3dxk h ALA 157 Ca -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3dxk h ALA 157 Cb 0.96 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3dxk h ALA 157 CO 0.07 -0.51 -0.07 -0.09 0.00 0.00 0.00 179.25 178.65 3dxk h ARG 158 N -0.13 -0.04 -0.26 0.00 2.43 -1.17 0.37 114.38 115.58 3dxk h ARG 158 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3dxk h ARG 158 Cb 0.11 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3dxk h ARG 158 CO 0.01 -0.03 0.07 0.82 -1.51 0.00 0.00 179.97 179.34 3dxk h ILE 159 N -0.04 1.12 -0.25 1.20 2.04 -1.38 -0.40 117.51 119.80 3dxk h ILE 159 Ca 0.10 -0.41 -0.18 0.00 1.00 0.00 0.00 64.86 65.36 3dxk h ILE 159 Cb 0.19 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3dxk h ILE 159 CO -0.21 0.15 -0.57 0.58 0.00 0.00 0.00 178.15 178.10 3dxk h VAL 160 N 0.36 1.28 0.00 1.67 2.07 -0.20 -0.67 116.25 120.77 3dxk h VAL 160 Ca 0.09 -1.76 -0.10 0.00 0.82 0.00 0.00 66.70 65.75 3dxk h VAL 160 Cb 0.13 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3dxk h VAL 160 CO -0.01 0.57 -0.49 0.00 0.02 0.00 0.00 177.57 177.67 3dxk h ALA 161 N 0.64 1.16 0.19 1.67 0.00 -0.53 -3.00 119.26 119.38 3dxk h ALA 161 Ca -0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 54.91 54.16 3dxk h ALA 161 Cb 1.18 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.93 3dxk h ALA 161 CO 0.12 0.61 -1.30 0.93 0.00 0.00 0.00 179.25 179.61 3dxk h GLU 162 N 0.00 0.55 -0.19 0.00 5.08 -0.99 -2.93 114.58 116.10 3dxk h GLU 162 Ca -0.00 -0.85 -0.02 0.00 -1.00 0.00 0.00 59.36 57.49 3dxk h GLU 162 Cb 0.88 0.30 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3dxk h GLU 162 CO 0.06 1.39 0.04 1.49 -1.00 0.00 0.00 179.01 181.00 3dxk h GLU 163 N 0.14 0.27 0.12 2.33 4.57 -1.10 -0.46 114.58 120.45 3dxk h GLU 163 Ca -0.22 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 3dxk h GLU 163 Cb 2.00 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.54 3dxk h GLU 163 CO 0.25 0.27 -0.06 0.35 -1.18 0.00 0.00 179.01 178.64 3dxk h PHE 164 N 0.27 -0.14 -0.75 0.92 3.57 -1.61 -3.33 116.94 115.87 3dxk h PHE 164 Ca 0.07 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.62 3dxk h PHE 164 Cb 0.13 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 3dxk h PHE 164 CO 0.00 0.26 0.44 -0.07 -2.23 0.00 0.00 178.31 176.72 3dxk h LEU 165 N -0.95 0.69 -0.41 0.59 4.07 -1.41 -1.98 115.31 115.91 3dxk h LEU 165 Ca -0.02 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3dxk h LEU 165 Cb 0.47 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.09 3dxk h LEU 165 CO 0.03 0.45 0.00 2.29 -1.08 0.00 0.00 178.44 180.12 3dxk n LYS 166 N -4.70 0.06 0.03 1.13 2.85 -0.19 -2.41 118.16 114.93 3dxk n LYS 166 Ca 0.10 0.44 0.11 0.00 -1.05 0.00 0.00 58.31 57.92 3dxk n LYS 166 Cb 0.16 -1.66 0.10 0.00 -0.65 0.00 0.00 35.03 32.98 3dxk n LYS 166 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3dxk n ASN 167 N -1.78 0.63 0.00 -5.58 3.02 -0.74 -5.10 115.26 105.71 3dxk n ASN 167 Ca 0.01 -0.18 0.03 0.00 -0.03 0.00 0.00 54.58 54.40 3dxk n ASN 167 Cb 0.10 0.55 0.15 0.00 -0.61 0.00 0.00 39.78 39.96 3dxk n ASN 167 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13