#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6d n TYR 2 N 0.00 -0.49 -4.52 0.54 4.11 -1.26 -4.91 117.16 110.63 1s6d n TYR 2 Ca 0.00 -0.63 -0.24 0.00 -0.00 0.00 0.00 57.90 57.03 1s6d n TYR 2 Cb 0.00 1.07 -0.11 0.00 -0.00 0.00 0.00 39.34 40.30 1s6d n TYR 2 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1s6d s GLY 3 N 0.62 2.24 0.07 -7.48 0.00 -1.26 -5.13 107.32 96.38 1s6d s GLY 3 Ca 0.24 -2.16 -0.01 0.00 0.00 0.00 0.00 44.72 42.79 1s6d s GLY 3 CO -0.10 -1.93 -0.00 -1.60 0.00 0.00 0.00 173.10 169.47 1s6d s ARG 4 N -3.81 0.68 0.00 2.90 3.52 -1.26 -5.11 118.95 115.87 1s6d s ARG 4 Ca 0.36 -1.25 0.00 0.00 -0.13 0.00 0.00 55.73 54.71 1s6d s ARG 4 Cb 0.09 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 1s6d s ARG 4 CO 0.16 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.92 1s6d n GLY 5 N 0.06 2.60 3.64 8.12 0.00 -1.26 -4.83 105.19 113.52 1s6d n GLY 5 Ca -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.71 1s6d n GLY 5 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s6d s ARG 6 N -1.68 0.17 0.01 1.61 3.52 -1.26 -4.94 118.95 116.38 1s6d s ARG 6 Ca 0.00 0.18 -0.28 0.00 -0.13 0.00 0.00 55.73 55.50 1s6d s ARG 6 Cb 0.00 0.08 0.08 0.00 -1.56 0.00 0.00 34.95 33.56 1s6d s ARG 6 CO 0.00 -0.03 0.74 0.95 -0.81 0.00 0.00 175.30 176.15 1s6d s THR 7 N -0.10 0.00 0.10 4.11 -4.23 -1.26 -5.15 115.64 109.11 1s6d s THR 7 Ca 0.06 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.56 1s6d s THR 7 Cb -0.04 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.82 1s6d s THR 7 CO -0.12 0.00 0.05 -0.62 -0.54 0.00 0.00 174.62 173.39 1s6d n GLU 8 N 0.24 -1.30 -1.61 3.99 -0.58 -1.26 -4.81 120.64 115.31 1s6d n GLU 8 Ca -0.15 -0.09 -0.48 0.00 -0.42 0.00 0.00 57.16 56.02 1s6d n GLU 8 Cb 0.61 -0.14 -0.04 0.00 -0.57 0.00 0.00 31.44 31.30 1s6d n GLU 8 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1s6d n SER 9 N -2.46 1.82 0.00 1.62 3.41 -1.26 -4.84 113.62 111.91 1s6d n SER 9 Ca 0.01 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1s6d n SER 9 Cb 0.04 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 62.70 1s6d n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6d n GLY 10 N 2.12 0.45 0.02 5.00 0.00 -1.26 -4.99 105.19 106.52 1s6d n GLY 10 Ca 0.14 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.40 1s6d n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6d h TYR 12 N 0.00 -0.90 -0.89 0.00 3.20 -1.92 0.77 116.97 117.22 1s6d h TYR 12 Ca -0.09 0.10 0.07 0.00 3.14 0.00 0.00 58.73 61.95 1s6d h TYR 12 Cb 1.15 0.54 -0.06 0.00 1.54 0.00 0.00 36.73 39.90 1s6d h TYR 12 CO 0.00 -0.41 0.58 0.37 -1.64 0.00 0.00 178.16 177.07 1s6d h GLN 13 N -0.02 0.96 0.00 1.82 4.15 -1.98 0.18 115.11 120.23 1s6d h GLN 13 Ca 0.37 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.64 1s6d h GLN 13 Cb 0.62 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1s6d h GLN 13 CO -0.96 0.63 -0.42 1.96 -1.93 0.00 0.00 178.83 178.11 1s6d h GLN 14 N 0.98 0.00 0.81 1.69 7.50 0.09 -3.25 115.11 122.94 1s6d h GLN 14 Ca 0.39 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.50 1s6d h GLN 14 Cb 0.25 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.79 1s6d h GLN 14 CO -0.15 0.42 -0.39 1.98 -1.50 0.00 0.00 178.83 179.19 1s6d h MET 15 N 0.00 -1.05 -1.01 1.46 4.05 0.27 -1.83 114.93 116.82 1s6d h MET 15 Ca -0.00 0.07 0.23 0.00 -0.28 0.00 0.00 59.70 59.72 1s6d h MET 15 Cb 0.94 0.24 -0.10 0.00 -0.80 0.00 0.00 31.60 31.87 1s6d h MET 15 CO 0.05 -0.69 0.63 1.05 0.23 0.00 0.00 176.91 178.18 1s6d h GLU 16 N -1.23 0.53 0.00 0.39 4.11 -1.52 0.81 114.58 117.67 1s6d h GLU 16 Ca -0.11 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.22 1s6d h GLU 16 Cb 0.85 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1s6d h GLU 16 CO 0.18 0.35 -0.31 1.49 0.07 0.00 0.00 179.01 180.80 1s6d h GLU 17 N 0.55 0.00 -1.16 1.06 4.81 -1.55 -3.03 114.58 115.26 1s6d h GLU 17 Ca 0.59 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 59.33 1s6d h GLU 17 Cb 1.22 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.19 1s6d h GLU 17 CO -0.35 0.31 -0.92 0.00 -0.73 0.00 0.00 179.01 177.33 1s6d n ALA 18 N -2.34 4.36 -1.51 2.92 0.00 0.20 -5.05 120.51 119.09 1s6d n ALA 18 Ca -0.01 -3.76 -0.28 0.00 0.00 0.00 0.00 53.44 49.39 1s6d n ALA 18 Cb 0.41 -0.66 -0.18 0.00 0.00 0.00 0.00 19.45 19.03 1s6d n ALA 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1s6d n GLU 19 N -0.40 0.12 -0.01 0.00 2.13 0.22 -4.66 120.64 118.04 1s6d n GLU 19 Ca 0.28 -0.09 -0.04 0.00 0.66 0.00 0.00 57.16 57.98 1s6d n GLU 19 Cb 0.76 -1.59 -0.12 0.00 0.27 0.00 0.00 31.44 30.77 1s6d n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s6d n MET 20 N 7.01 0.64 -0.18 5.31 0.00 -1.26 -3.38 117.12 125.27 1s6d n MET 20 Ca 0.63 0.16 0.06 0.00 0.00 0.00 0.00 57.70 58.55 1s6d n MET 20 Cb 0.16 -1.72 0.17 0.00 0.00 0.00 0.00 33.22 31.83 1s6d n MET 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1s6d n LEU 21 N -2.85 1.92 0.12 3.17 7.99 -1.26 -3.51 117.00 122.57 1s6d n LEU 21 Ca -0.16 -0.95 0.01 0.00 -0.01 0.00 0.00 56.01 54.89 1s6d n LEU 21 Cb 0.95 -0.23 -0.00 0.00 -0.11 0.00 0.00 43.42 44.02 1s6d n LEU 21 CO 0.44 0.48 0.39 -1.13 -1.51 0.00 0.00 177.39 176.06 1s6d h ASN 22 N 2.12 0.00 0.00 -1.43 -0.73 -1.92 0.13 115.58 113.74 1s6d h ASN 22 Ca 0.00 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.13 1s6d h ASN 22 Cb 0.48 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 1s6d h ASN 22 CO 0.00 0.59 -0.46 0.45 -0.37 0.00 0.00 177.43 177.64 1s6d h HIS 23 N 0.00 0.00 0.00 0.67 -0.00 -1.77 -2.82 115.15 111.22 1s6d h HIS 23 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1s6d h HIS 23 Cb 1.46 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.87 1s6d h HIS 23 CO 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 177.93 178.31 1s6d h GLY 25 N 1.78 0.20 0.84 0.00 0.00 -0.84 -3.28 103.07 101.77 1s6d h GLY 25 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.00 1s6d h GLY 25 CO 0.00 0.32 0.38 -0.33 0.00 0.00 0.00 176.54 176.92 1s6d h MET 26 N -0.49 0.73 -1.00 4.80 2.86 -1.31 0.40 114.93 120.91 1s6d h MET 26 Ca -0.04 -0.04 0.26 0.00 -2.06 0.00 0.00 59.70 57.82 1s6d h MET 26 Cb 1.04 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 32.47 1s6d h MET 26 CO 0.05 0.48 0.67 -0.92 1.06 0.00 0.00 176.91 178.26 1s6d h TYR 27 N 0.75 0.43 0.00 -0.22 3.20 -1.61 0.92 116.97 120.44 1s6d h TYR 27 Ca 0.26 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.96 1s6d h TYR 27 Cb 0.05 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 1s6d h TYR 27 CO -0.06 0.06 -1.75 1.28 -1.64 0.00 0.00 178.16 176.06 1s6d n LEU 28 N -4.48 0.50 -0.58 2.82 4.77 -0.29 -3.82 117.00 115.93 1s6d n LEU 28 Ca 0.23 0.22 0.08 0.00 -0.03 0.00 0.00 56.01 56.50 1s6d n LEU 28 Cb 0.90 0.16 0.26 0.00 -2.33 0.00 0.00 43.42 42.41 1s6d n LEU 28 CO 0.31 0.20 0.70 0.80 -1.33 0.00 0.00 177.39 178.07 1s6d n MET 29 N -2.74 1.74 0.13 3.23 1.56 0.12 -3.76 117.12 117.41 1s6d n MET 29 Ca -0.14 -1.13 0.01 0.00 -0.27 0.00 0.00 57.70 56.17 1s6d n MET 29 Cb 0.86 -1.32 0.02 0.00 2.15 0.00 0.00 33.22 34.93 1s6d n MET 29 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1s6d h LYS 30 N 2.03 0.00 -0.01 2.12 3.11 0.60 -2.98 116.57 121.44 1s6d h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1s6d h LYS 30 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.69 1s6d h LYS 30 CO 0.00 0.57 -0.55 -1.71 -2.81 0.00 0.00 179.45 174.94 1s6d n ASN 31 N -3.26 1.23 0.06 4.20 2.85 -1.25 -4.27 115.26 114.83 1s6d n ASN 31 Ca 0.02 -1.11 0.12 0.00 -0.11 0.00 0.00 54.58 53.50 1s6d n ASN 31 Cb 0.75 0.73 0.25 0.00 1.24 0.00 0.00 39.78 42.76 1s6d n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1s6d n LEU 32 N -0.73 0.68 0.14 1.20 4.77 -1.17 -3.78 117.00 118.11 1s6d n LEU 32 Ca 0.05 0.30 0.01 0.00 -0.03 0.00 0.00 56.01 56.34 1s6d n LEU 32 Cb 0.30 -0.23 0.32 0.00 -2.33 0.00 0.00 43.42 41.48 1s6d n LEU 32 CO 0.27 -0.07 0.74 1.23 -1.33 0.00 0.00 177.39 178.23 1s6d h GLY 33 N 4.57 0.14 0.00 -0.72 0.00 -1.70 -3.47 103.07 101.89 1s6d h GLY 33 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1s6d h GLY 33 CO 0.00 0.11 0.00 -2.21 0.00 0.00 0.00 176.54 174.44 1s6d n GLU 34 N -4.11 0.00 0.00 4.80 4.07 -1.25 -5.09 120.64 119.06 1s6d n GLU 34 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1s6d n GLU 34 Cb 0.40 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.78 1s6d n GLU 34 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1s6d n ARG 35 N 0.00 0.00 -0.02 5.31 1.74 -1.26 -4.91 116.66 117.51 1s6d n ARG 35 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1s6d n ARG 35 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 1s6d n ARG 35 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1s6d h SER 36 N 0.00 -0.66 -3.52 0.55 0.87 -1.98 -3.31 113.55 105.49 1s6d h SER 36 Ca 0.00 0.08 -0.63 0.00 -1.23 0.00 0.00 61.79 60.02 1s6d h SER 36 Cb 0.00 0.26 -0.41 0.00 -0.44 0.00 0.00 62.40 61.81 1s6d h SER 36 CO 0.00 -0.17 -0.62 -1.10 -0.53 0.00 0.00 176.83 174.42 1s6d s GLN 37 N -3.99 2.17 0.85 2.24 -0.21 -1.26 -5.09 119.66 114.37 1s6d s GLN 37 Ca -0.06 -2.99 -0.12 0.00 0.02 0.00 0.00 55.36 52.22 1s6d s GLN 37 Cb 0.03 -3.25 0.10 0.00 1.00 0.00 0.00 33.01 30.89 1s6d s GLN 37 CO 0.23 -1.23 1.10 0.14 -2.12 0.00 0.00 175.29 173.41 1s6d s VAL 38 N -0.91 2.74 -0.33 1.09 -7.23 -1.25 -5.03 120.40 109.48 1s6d s VAL 38 Ca 0.22 0.24 -0.08 0.00 -1.81 0.00 0.00 61.98 60.56 1s6d s VAL 38 Cb -0.12 -2.92 0.22 0.00 0.56 0.00 0.00 36.38 34.12 1s6d s VAL 38 CO -0.10 -0.32 1.14 -0.24 -0.31 0.00 0.00 175.10 175.27 1s6d n SER 39 N -3.63 -1.31 -3.94 4.85 2.88 -1.26 -5.07 113.62 106.15 1s6d n SER 39 Ca 0.07 -0.83 -0.40 0.00 -1.33 0.00 0.00 58.87 56.39 1s6d n SER 39 Cb 0.57 0.66 -0.05 0.00 -0.75 0.00 0.00 64.21 64.64 1s6d n SER 39 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1s6d n PRO 40 N 2.53 1.84 0.00 -1.46 -0.04 -1.26 -4.80 135.00 131.80 1s6d n PRO 40 Ca 0.11 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 1s6d n PRO 40 Cb 0.66 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 1s6d n PRO 40 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1s6d n ARG 41 N 7.29 0.00 -3.54 0.54 1.74 -1.26 -4.60 116.66 116.84 1s6d n ARG 41 Ca 0.49 0.59 -0.23 0.00 -0.77 0.00 0.00 57.85 57.92 1s6d n ARG 41 Cb 0.42 -1.31 -0.15 0.00 -1.02 0.00 0.00 32.46 30.41 1s6d n ARG 41 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1s6d s MET 42 N -2.23 0.15 -0.30 5.56 -1.94 -1.26 -5.09 119.30 114.19 1s6d s MET 42 Ca 0.00 -0.09 -0.06 0.00 -1.71 0.00 0.00 55.69 53.83 1s6d s MET 42 Cb 0.00 -1.39 0.18 0.00 2.01 0.00 0.00 34.83 35.63 1s6d s MET 42 CO 0.00 -0.77 0.78 0.50 -0.01 0.00 0.00 175.02 175.52 1s6d s ARG 43 N 2.21 0.42 -0.30 2.03 3.52 -1.26 -5.13 118.95 120.44 1s6d s ARG 43 Ca 0.06 0.77 0.03 0.00 -0.13 0.00 0.00 55.73 56.45 1s6d s ARG 43 Cb -0.16 0.43 0.17 0.00 -1.56 0.00 0.00 34.95 33.83 1s6d s ARG 43 CO -0.18 -0.44 0.45 -2.00 -0.81 0.00 0.00 175.30 172.32 1s6d s GLU 44 N 2.88 0.48 0.00 5.12 2.12 -1.26 -5.13 118.70 122.91 1s6d s GLU 44 Ca 0.11 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.55 1s6d s GLU 44 Cb -0.13 -0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.04 1s6d s GLU 44 CO -0.17 -1.06 0.00 -1.91 -0.54 0.00 0.00 175.26 171.58 1s6d n GLU 45 N 5.23 3.99 -3.47 4.30 4.07 -1.26 -5.15 120.64 128.36 1s6d n GLU 45 Ca 0.03 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.97 1s6d n GLU 45 Cb 0.50 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.76 1s6d n GLU 45 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1s6d s ASP 46 N 0.96 1.10 -0.18 4.31 1.11 -1.26 -5.12 116.67 117.59 1s6d s ASP 46 Ca 0.00 -0.10 -0.00 0.00 0.18 0.00 0.00 52.55 52.63 1s6d s ASP 46 Cb 0.00 0.55 0.04 0.00 1.07 0.00 0.00 42.92 44.59 1s6d s ASP 46 CO 0.00 -0.32 -0.06 -1.00 1.18 0.00 0.00 175.17 174.97 1s6d s HIS 47 N 2.38 1.86 0.00 4.23 3.76 -1.26 -4.76 115.29 121.49 1s6d s HIS 47 Ca 0.08 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 53.78 1s6d s HIS 47 Cb -0.16 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.15 1s6d s HIS 47 CO -0.13 -0.65 0.00 1.17 -0.85 0.00 0.00 174.74 174.28 1s6d n LYS 48 N 4.83 0.00 -0.01 1.40 4.81 -1.26 -4.78 118.16 123.15 1s6d n LYS 48 Ca -0.12 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.41 1s6d n LYS 48 Cb 0.47 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.39 1s6d n LYS 48 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1s6d n GLN 49 N 0.00 0.69 0.17 1.64 7.27 -1.26 -3.44 117.38 122.45 1s6d n GLN 49 Ca 0.00 -0.13 0.05 0.00 0.07 0.00 0.00 57.00 56.99 1s6d n GLN 49 Cb 0.00 -1.40 0.21 0.00 2.41 0.00 0.00 30.24 31.46 1s6d n GLN 49 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1s6d h LEU 50 N 0.00 0.00 0.13 1.69 3.38 -1.92 -0.57 115.31 118.02 1s6d h LEU 50 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1s6d h LEU 50 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1s6d h LEU 50 CO 0.00 0.41 -1.72 0.00 0.09 0.00 0.00 178.44 177.23 1s6d n MET 53 N -1.39 0.00 0.15 0.00 0.00 -0.23 -3.62 117.12 112.03 1s6d n MET 53 Ca 0.06 0.01 0.18 0.00 0.00 0.00 0.00 57.70 57.95 1s6d n MET 53 Cb 0.16 -0.54 0.78 0.00 0.00 0.00 0.00 33.22 33.63 1s6d n MET 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 1s6d h GLN 54 N 0.00 0.00 -0.63 2.12 7.50 -1.64 0.24 115.11 122.70 1s6d h GLN 54 Ca 0.00 0.00 0.08 0.00 0.50 0.00 0.00 58.65 59.23 1s6d h GLN 54 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.49 1s6d h GLN 54 CO 0.00 0.00 0.42 -0.07 -1.50 0.00 0.00 178.83 177.68 1s6d h LEU 55 N 0.00 0.49 0.00 1.46 3.38 -1.59 0.58 115.31 119.63 1s6d h LEU 55 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1s6d h LEU 55 Cb 0.69 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1s6d h LEU 55 CO -0.00 0.30 0.00 1.17 0.09 0.00 0.00 178.44 180.00 1s6d n LYS 56 N -4.48 0.99 -0.06 1.13 4.81 0.86 -2.95 118.16 118.46 1s6d n LYS 56 Ca 0.10 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.47 1s6d n LYS 56 Cb 0.30 -1.44 -0.15 0.00 0.02 0.00 0.00 35.03 33.76 1s6d n LYS 56 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1s6d n ASN 57 N -0.94 0.31 -2.47 3.14 2.85 0.20 -4.97 115.26 113.38 1s6d n ASN 57 Ca 0.21 0.15 -0.04 0.00 -0.11 0.00 0.00 54.58 54.79 1s6d n ASN 57 Cb 0.10 0.71 0.03 0.00 1.24 0.00 0.00 39.78 41.85 1s6d n ASN 57 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1s6d n LEU 58 N -2.81 0.00 -4.83 1.20 4.77 -0.94 -5.04 117.00 109.36 1s6d n LEU 58 Ca -0.24 -0.17 -0.35 0.00 -0.03 0.00 0.00 56.01 55.21 1s6d n LEU 58 Cb 1.06 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.96 1s6d n LEU 58 CO 0.44 -0.93 0.36 -0.62 -1.33 0.00 0.00 177.39 175.31 1s6d s ASP 59 N -1.79 6.95 0.27 -1.43 2.15 -1.26 -4.97 116.67 116.59 1s6d s ASP 59 Ca 0.10 1.29 -0.02 0.00 0.43 0.00 0.00 52.55 54.34 1s6d s ASP 59 Cb -0.01 -2.37 0.37 0.00 -0.30 0.00 0.00 42.92 40.61 1s6d s ASP 59 CO 0.07 0.03 1.84 -0.08 -0.17 0.00 0.00 175.17 176.87 1s6d h GLU 60 N 3.34 0.94 0.00 4.34 4.81 -1.96 0.21 114.58 126.26 1s6d h GLU 60 Ca -0.48 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 1s6d h GLU 60 Cb 1.19 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1s6d h GLU 60 CO 0.65 0.78 0.00 0.36 -0.73 0.00 0.00 179.01 180.07 1s6d n LYS 61 N -4.30 0.07 0.00 1.92 2.85 -1.26 -2.01 118.16 115.43 1s6d n LYS 61 Ca 0.05 0.07 0.12 0.00 -1.05 0.00 0.00 58.31 57.51 1s6d n LYS 61 Cb 0.18 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.30 1s6d n LYS 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1s6d n MET 63 N -0.93 3.85 0.00 0.00 2.81 -0.82 -2.35 117.12 119.68 1s6d n MET 63 Ca 0.09 -3.16 0.00 0.00 -1.81 0.00 0.00 57.70 52.81 1s6d n MET 63 Cb 0.36 -2.86 0.00 0.00 -0.71 0.00 0.00 33.22 30.01 1s6d n MET 63 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s6d h PRO 65 N 0.00 0.69 -0.18 0.00 0.13 -1.76 -3.27 132.00 127.61 1s6d h PRO 65 Ca 0.00 -0.68 -0.02 0.00 -0.87 0.00 0.00 66.00 64.42 1s6d h PRO 65 Cb 0.00 0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 1s6d h PRO 65 CO 0.00 1.28 0.02 0.00 -0.23 0.00 0.00 178.00 179.07 1s6d h ALA 66 N 0.43 0.24 -0.91 -0.56 0.00 -1.77 -3.06 119.26 113.63 1s6d h ALA 66 Ca -0.10 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.81 1s6d h ALA 66 Cb 1.56 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 19.11 1s6d h ALA 66 CO 0.18 -0.08 -0.25 -0.89 0.00 0.00 0.00 179.25 178.20 1s6d n ILE 67 N -4.75 -0.40 -0.08 0.00 2.08 -1.23 0.84 119.36 115.81 1s6d n ILE 67 Ca -0.05 2.09 -0.08 0.00 0.56 0.00 0.00 62.75 65.27 1s6d n ILE 67 Cb 0.19 -2.87 -0.02 0.00 -0.75 0.00 0.00 39.64 36.20 1s6d n ILE 67 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 1s6d h MET 68 N 0.00 -0.28 -0.41 0.38 2.86 -1.62 0.17 114.93 116.02 1s6d h MET 68 Ca 0.41 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 58.03 1s6d h MET 68 Cb 0.64 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1s6d h MET 68 CO -0.93 -0.19 0.08 0.52 1.06 0.00 0.00 176.91 177.45 1s6d h MET 69 N -0.29 0.62 -0.93 1.72 2.86 0.38 -2.62 114.93 116.67 1s6d h MET 69 Ca 0.15 -0.12 0.25 0.00 -2.06 0.00 0.00 59.70 57.93 1s6d h MET 69 Cb 0.53 -0.10 -0.14 0.00 0.06 0.00 0.00 31.60 31.96 1s6d h MET 69 CO -0.48 0.58 0.43 1.98 1.06 0.00 0.00 176.91 180.48 1s6d h MET 70 N 0.60 0.35 -1.04 1.72 -1.53 0.18 0.57 114.93 115.77 1s6d h MET 70 Ca 0.13 -0.02 -0.46 0.00 -3.44 0.00 0.00 59.70 55.91 1s6d h MET 70 Cb 0.26 -0.08 -0.25 0.00 -0.55 0.00 0.00 31.60 30.98 1s6d h MET 70 CO 0.00 0.23 0.59 1.28 0.14 0.00 0.00 176.91 179.15 1s6d n LEU 71 N -5.07 6.40 -0.07 3.39 4.77 -0.99 -4.06 117.00 121.37 1s6d n LEU 71 Ca 0.25 -3.42 0.01 0.00 -0.03 0.00 0.00 56.01 52.82 1s6d n LEU 71 Cb 0.76 -0.84 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1s6d n LEU 71 CO 0.11 1.06 0.37 0.59 -1.33 0.00 0.00 177.39 178.19 1s6d n ASN 72 N -0.77 0.97 -4.20 -1.43 5.03 0.20 -4.70 115.26 110.35 1s6d n ASN 72 Ca 0.50 -1.72 -0.30 0.00 0.87 0.00 0.00 54.58 53.94 1s6d n ASN 72 Cb 1.27 -0.07 0.18 0.00 -1.02 0.00 0.00 39.78 40.13 1s6d n ASN 72 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1s6d s GLU 73 N -0.68 0.66 -0.00 3.52 2.02 -1.22 -4.90 118.70 118.11 1s6d s GLU 73 Ca 0.04 -0.32 -0.04 0.00 0.02 0.00 0.00 54.97 54.67 1s6d s GLU 73 Cb 0.03 -1.84 -0.17 0.00 0.10 0.00 0.00 34.13 32.25 1s6d s GLU 73 CO 0.00 -2.41 2.52 -0.35 0.02 0.00 0.00 175.26 175.04 1s6d n PRO 74 N -3.79 1.29 0.00 0.39 -0.04 -1.26 -2.75 135.00 128.85 1s6d n PRO 74 Ca 0.14 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1s6d n PRO 74 Cb 0.60 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1s6d n PRO 74 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1s6d n MET 75 N 2.68 0.00 -2.84 0.54 1.56 -1.26 -5.07 117.12 112.73 1s6d n MET 75 Ca 0.28 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.60 1s6d n MET 75 Cb 0.59 0.00 0.02 0.00 2.15 0.00 0.00 33.22 35.98 1s6d n MET 75 CO 0.00 0.00 0.00 0.91 -0.73 0.00 0.00 175.97 176.15 1s6d n TRP 76 N 0.00 -2.88 0.00 1.12 5.03 -1.11 -5.02 117.44 114.58 1s6d n TRP 76 Ca 0.00 -2.03 0.00 0.00 3.03 0.00 0.00 57.50 58.50 1s6d n TRP 76 Cb 0.00 1.22 0.00 0.00 -1.03 0.00 0.00 31.31 31.50 1s6d n TRP 76 CO 0.00 0.00 0.00 -0.89 -0.03 0.00 0.00 177.69 176.77 1s6d n ILE 77 N 1.83 0.00 -0.26 -0.99 2.08 -1.26 -4.28 119.36 116.48 1s6d n ILE 77 Ca 0.13 0.00 0.22 0.00 0.56 0.00 0.00 62.75 63.66 1s6d n ILE 77 Cb 0.60 0.00 0.55 0.00 -0.75 0.00 0.00 39.64 40.04 1s6d n ILE 77 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1s6d h ARG 78 N 0.00 0.33 -1.46 0.38 2.47 -1.99 0.15 114.38 114.26 1s6d h ARG 78 Ca 0.00 -0.02 0.42 0.00 -1.26 0.00 0.00 59.98 59.12 1s6d h ARG 78 Cb 0.00 -0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.19 1s6d h ARG 78 CO 0.00 0.22 1.05 0.00 0.56 0.00 0.00 179.97 181.80 1s6d h MET 79 N 0.34 0.00 0.00 0.04 -0.00 -1.93 0.56 114.93 113.94 1s6d h MET 79 Ca 0.50 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.20 1s6d h MET 79 Cb 1.37 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.97 1s6d h MET 79 CO -0.18 0.00 0.30 0.00 -0.00 0.00 0.00 176.91 177.03 1s6d h ARG 80 N 0.00 0.00 -0.24 -0.10 3.08 -1.00 -3.21 114.38 112.91 1s6d h ARG 80 Ca 0.70 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.79 1s6d h ARG 80 Cb 2.79 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 32.80 1s6d h ARG 80 CO -0.01 0.00 -0.08 -3.47 -1.07 0.00 0.00 179.97 175.34 1s6d n ASP 81 N -2.66 -0.12 0.00 7.04 -0.08 0.20 0.12 116.55 121.05 1s6d n ASP 81 Ca -0.02 0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 1s6d n ASP 81 Cb 0.34 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.69 1s6d n ASP 81 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1s6d n GLN 82 N -4.37 0.00 -0.08 -0.67 3.00 -1.21 -3.87 117.38 110.17 1s6d n GLN 82 Ca 0.03 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.03 1s6d n GLN 82 Cb 0.11 -0.33 0.03 0.00 0.00 0.00 0.00 30.24 30.05 1s6d n GLN 82 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1s6d n VAL 83 N -0.45 -0.09 -0.24 5.09 3.14 -0.98 0.70 118.33 125.51 1s6d n VAL 83 Ca 0.00 0.50 -0.06 0.00 -2.96 0.00 0.00 64.34 61.82 1s6d n VAL 83 Cb 0.00 -0.69 -0.06 0.00 -1.06 0.00 0.00 33.84 32.04 1s6d n VAL 83 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1s6d n MET 84 N -4.35 -0.25 -0.85 1.45 0.00 0.33 0.11 117.12 113.56 1s6d n MET 84 Ca 0.03 1.05 -0.13 0.00 0.00 0.00 0.00 57.70 58.66 1s6d n MET 84 Cb 0.11 -1.55 0.00 0.00 0.00 0.00 0.00 33.22 31.78 1s6d n MET 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1s6d n SER 85 N -4.39 6.07 0.00 6.12 2.88 0.22 -3.78 113.62 120.73 1s6d n SER 85 Ca 0.01 -2.85 0.00 0.00 -1.33 0.00 0.00 58.87 54.70 1s6d n SER 85 Cb 0.15 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1s6d n SER 85 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1s6d n MET 86 N 0.88 0.00 -0.01 -1.46 2.81 0.26 -4.83 117.12 114.77 1s6d n MET 86 Ca 0.24 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.17 1s6d n MET 86 Cb 0.58 -0.20 0.25 0.00 -0.71 0.00 0.00 33.22 33.14 1s6d n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s6d n ALA 87 N -1.61 2.55 -0.02 3.04 0.00 0.30 -1.41 120.51 123.35 1s6d n ALA 87 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.40 1s6d n ALA 87 Cb 0.00 -1.13 -0.14 0.00 0.00 0.00 0.00 19.45 18.18 1s6d n ALA 87 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1s6d n HIS 88 N -0.58 0.18 0.02 0.00 1.44 -1.25 -4.19 115.22 110.84 1s6d n HIS 88 Ca 0.07 0.06 0.05 0.00 -2.01 0.00 0.00 57.72 55.89 1s6d n HIS 88 Cb 0.04 -0.74 -0.08 0.00 0.12 0.00 0.00 29.99 29.33 1s6d n HIS 88 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1s6d n ASN 89 N -2.50 2.43 0.00 4.39 5.03 -1.07 -4.12 115.26 119.43 1s6d n ASN 89 Ca -0.12 -0.03 -0.12 0.00 0.87 0.00 0.00 54.58 55.17 1s6d n ASN 89 Cb 0.76 1.47 -0.07 0.00 -1.02 0.00 0.00 39.78 40.93 1s6d n ASN 89 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1s6d h LEU 90 N 0.00 0.07 -0.58 3.41 3.38 -1.44 0.68 115.31 120.83 1s6d h LEU 90 Ca 0.00 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 1s6d h LEU 90 Cb 0.48 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1s6d h LEU 90 CO 0.00 0.19 -0.70 1.55 0.09 0.00 0.00 178.44 179.57 1s6d h PRO 91 N -0.06 0.07 -0.18 1.13 0.13 -1.81 -3.04 132.00 128.25 1s6d h PRO 91 Ca 0.02 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 1s6d h PRO 91 Cb 0.14 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1s6d h PRO 91 CO -0.00 0.74 -0.06 0.82 -0.23 0.00 0.00 178.00 179.27 1s6d h ILE 92 N 0.05 1.30 0.00 -3.56 2.04 -1.69 0.53 117.51 116.18 1s6d h ILE 92 Ca -0.01 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 1s6d h ILE 92 Cb 1.24 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1s6d h ILE 92 CO 0.10 0.32 -0.01 -0.33 0.00 0.00 0.00 178.15 178.23 1s6d h GLU 93 N 0.06 0.00 0.00 2.37 4.39 -0.87 0.35 114.58 120.88 1s6d h GLU 93 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1s6d h GLU 93 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1s6d h GLU 93 CO 0.02 0.01 -0.63 0.00 -1.16 0.00 0.00 179.01 177.25 1s6d n ASN 95 N -1.95 -1.33 -0.07 0.00 4.05 0.12 -4.98 115.26 111.10 1s6d n ASN 95 Ca 0.04 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 54.99 1s6d n ASN 95 Cb 0.41 -0.41 -0.05 0.00 1.23 0.00 0.00 39.78 40.97 1s6d n ASN 95 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1s6d h LEU 96 N 0.00 0.00 -2.90 1.20 3.38 -0.14 -3.40 115.31 113.44 1s6d h LEU 96 Ca 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1s6d h LEU 96 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1s6d h LEU 96 CO 0.00 0.84 -0.21 1.15 0.09 0.00 0.00 178.44 180.31 1s6d n MET 97 N -4.64 1.17 0.00 1.13 0.00 -1.07 -4.48 117.12 109.23 1s6d n MET 97 Ca -0.10 -2.57 0.00 0.00 0.00 0.00 0.00 57.70 55.03 1s6d n MET 97 Cb 0.29 -1.37 0.00 0.00 0.00 0.00 0.00 33.22 32.14 1s6d n MET 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1s6d n SER 98 N -1.14 0.00 -2.73 3.17 2.88 -1.26 -4.25 113.62 110.29 1s6d n SER 98 Ca 0.15 0.68 -0.08 0.00 -1.33 0.00 0.00 58.87 58.29 1s6d n SER 98 Cb 0.68 -0.32 0.10 0.00 -0.75 0.00 0.00 64.21 63.92 1s6d n SER 98 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1s6d n GLN 99 N -2.49 1.12 0.00 -1.46 -0.06 -1.26 -4.78 117.38 108.45 1s6d n GLN 99 Ca 0.00 -2.01 0.00 0.00 -2.00 0.00 0.00 57.00 52.99 1s6d n GLN 99 Cb 0.00 -0.53 0.00 0.00 -4.06 0.00 0.00 30.24 25.65 1s6d n GLN 99 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1s6d n PRO 100 N -0.20 0.00 -1.34 3.69 -0.04 -1.26 -4.90 135.00 130.96 1s6d n PRO 100 Ca 0.02 0.48 -0.30 0.00 -0.04 0.00 0.00 63.50 63.66 1s6d n PRO 100 Cb 0.79 -1.17 0.23 0.00 -0.04 0.00 0.00 33.50 33.31 1s6d n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s6d n GLN 102 N -4.53 0.75 0.00 0.00 6.02 -1.26 -5.10 117.38 113.26 1s6d n GLN 102 Ca 0.15 -3.02 0.00 0.00 -0.01 0.00 0.00 57.00 54.11 1s6d n GLN 102 Cb 0.60 1.33 0.00 0.00 1.02 0.00 0.00 30.24 33.18 1s6d n GLN 102 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93