#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 0.00 0.00 0.54 4.02 -1.26 -4.97 117.16 115.49 1s6d n TYR 2 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1s6d n TYR 2 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 1s6d n TYR 2 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s6d n GLY 3 N -0.08 -1.92 3.22 2.72 0.00 -1.26 -4.58 105.19 103.29 1s6d n GLY 3 Ca 0.00 0.90 -0.55 0.00 0.00 0.00 0.00 46.02 46.37 1s6d n GLY 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s6d n ARG 4 N 0.00 0.00 0.00 1.61 0.00 -1.26 -4.61 116.66 112.40 1s6d n ARG 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1s6d n ARG 4 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.09 1s6d n ARG 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s6d n GLY 5 N 1.57 1.82 2.55 5.14 0.00 -1.26 -4.98 105.19 110.02 1s6d n GLY 5 Ca 0.19 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 1s6d n GLY 5 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s6d n ARG 6 N 2.47 -4.09 -3.55 1.61 1.85 -1.26 -5.08 116.66 108.61 1s6d n ARG 6 Ca 0.00 -1.19 -0.07 0.00 -1.00 0.00 0.00 57.85 55.59 1s6d n ARG 6 Cb 0.00 -1.48 -0.02 0.00 -1.05 0.00 0.00 32.46 29.91 1s6d n ARG 6 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1s6d s THR 7 N -1.97 0.00 0.00 8.89 -1.32 -1.26 -5.12 115.64 114.86 1s6d s THR 7 Ca 0.54 -0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.97 1s6d s THR 7 Cb -0.09 -1.10 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 1s6d s THR 7 CO 0.44 0.00 0.00 1.21 -2.21 0.00 0.00 174.62 174.06 1s6d n GLU 8 N -0.22 2.31 -1.38 7.08 4.07 -1.26 -4.79 120.64 126.46 1s6d n GLU 8 Ca -0.06 0.00 -0.50 0.00 -0.06 0.00 0.00 57.16 56.55 1s6d n GLU 8 Cb 0.61 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.94 1s6d n GLU 8 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1s6d n SER 9 N 0.00 -0.80 -4.62 4.31 7.64 -1.26 -4.66 113.62 114.23 1s6d n SER 9 Ca 0.00 1.09 -0.52 0.00 1.01 0.00 0.00 58.87 60.46 1s6d n SER 9 Cb 0.00 -0.90 -0.06 0.00 -1.01 0.00 0.00 64.21 62.24 1s6d n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6d n GLY 10 N 1.76 0.96 0.35 0.23 0.00 -1.26 -4.83 105.19 102.40 1s6d n GLY 10 Ca 0.18 0.91 -0.03 0.00 0.00 0.00 0.00 46.02 47.07 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 -0.10 0.70 -0.06 0.00 3.20 -1.89 1.12 116.97 119.93 1s6d h TYR 12 Ca 0.28 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.06 1s6d h TYR 12 Cb 0.56 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1s6d h TYR 12 CO -0.69 0.01 -0.47 0.37 -1.64 0.00 0.00 178.16 175.74 1s6d h GLN 13 N 0.37 0.13 0.00 1.82 4.15 0.10 -2.78 115.11 118.90 1s6d h GLN 13 Ca 0.64 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.89 1s6d h GLN 13 Cb 1.63 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.30 1s6d h GLN 13 CO -0.35 0.58 -0.48 1.96 -1.93 0.00 0.00 178.83 178.61 1s6d h GLN 14 N 0.11 0.00 -0.12 1.69 4.20 0.23 -3.31 115.11 117.91 1s6d h GLN 14 Ca 0.01 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1s6d h GLN 14 Cb 0.87 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 1s6d h GLN 14 CO 0.07 0.48 -0.03 0.52 -0.67 0.00 0.00 178.83 179.20 1s6d h MET 15 N 0.00 -0.00 -0.93 1.46 2.86 -0.52 0.11 114.93 117.91 1s6d h MET 15 Ca -0.00 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.82 1s6d h MET 15 Cb 1.29 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.87 1s6d h MET 15 CO 0.06 -0.00 0.60 1.05 1.06 0.00 0.00 176.91 179.68 1s6d h GLU 16 N -0.00 0.54 0.00 1.72 4.11 -1.64 0.60 114.58 119.91 1s6d h GLU 16 Ca 0.06 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.37 1s6d h GLU 16 Cb 0.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1s6d h GLU 16 CO -0.12 0.36 -0.39 1.49 0.07 0.00 0.00 179.01 180.42 1s6d h GLU 17 N 0.56 0.00 -2.09 1.06 4.81 -1.43 -3.35 114.58 114.14 1s6d h GLU 17 Ca 0.50 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 59.17 1s6d h GLU 17 Cb 1.02 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.99 1s6d h GLU 17 CO -0.24 0.39 -0.94 0.00 -0.73 0.00 0.00 179.01 177.49 1s6d n ALA 18 N -2.21 3.05 -0.67 2.92 0.00 0.16 -4.99 120.51 118.78 1s6d n ALA 18 Ca 0.02 -3.92 -0.21 0.00 0.00 0.00 0.00 53.44 49.33 1s6d n ALA 18 Cb 0.67 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 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 0.68 1.72 0.03 0.00 2.13 0.15 -4.38 120.64 120.97 1s6d n GLU 19 Ca 0.26 -1.35 0.13 0.00 0.66 0.00 0.00 57.16 56.86 1s6d n GLU 19 Cb 0.52 -2.43 0.54 0.00 0.27 0.00 0.00 31.44 30.33 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 4.62 0.08 -0.10 5.31 0.00 -1.26 -2.74 117.12 123.03 1s6d n MET 20 Ca 0.39 0.09 0.06 0.00 0.00 0.00 0.00 57.70 58.24 1s6d n MET 20 Cb 0.14 -1.60 0.24 0.00 0.00 0.00 0.00 33.22 32.00 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 -1.74 1.25 -0.13 3.17 7.99 -1.26 -3.37 117.00 122.92 1s6d n LEU 21 Ca 0.06 -0.59 -0.20 0.00 -0.01 0.00 0.00 56.01 55.27 1s6d n LEU 21 Cb 0.35 -0.13 -0.11 0.00 -0.11 0.00 0.00 43.42 43.43 1s6d n LEU 21 CO 0.27 0.29 -1.34 -3.20 -1.51 0.00 0.00 177.39 171.90 1s6d n ASN 22 N 0.13 2.02 0.24 -1.43 2.85 -1.11 -2.86 115.26 115.09 1s6d n ASN 22 Ca 0.11 -0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.43 1s6d n ASN 22 Cb 0.22 -0.50 -0.08 0.00 1.24 0.00 0.00 39.78 40.66 1s6d n ASN 22 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1s6d h HIS 23 N -0.27 -0.56 0.00 1.20 3.86 -1.70 1.05 115.15 118.73 1s6d h HIS 23 Ca -0.59 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 58.61 1s6d h HIS 23 Cb 1.78 0.19 -0.00 0.00 1.06 0.00 0.00 27.41 30.44 1s6d h HIS 23 CO -0.00 -0.25 -0.01 0.00 0.86 0.00 0.00 177.93 178.52 1s6d h GLY 25 N 2.76 0.60 0.95 0.00 0.00 -1.34 -3.32 103.07 102.71 1s6d h GLY 25 Ca -0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 47.33 46.11 1s6d h GLY 25 CO 0.00 1.06 0.17 -0.33 0.00 0.00 0.00 176.54 177.45 1s6d h MET 26 N 0.09 0.59 -0.94 4.80 2.86 0.12 -1.37 114.93 121.08 1s6d h MET 26 Ca -0.15 -0.10 0.27 0.00 -2.06 0.00 0.00 59.70 57.67 1s6d h MET 26 Cb 1.70 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 33.22 1s6d h MET 26 CO 0.19 0.54 0.73 -0.92 1.06 0.00 0.00 176.91 178.51 1s6d h TYR 27 N 0.50 0.00 0.00 -0.22 3.20 -1.61 0.82 116.97 119.66 1s6d h TYR 27 Ca 0.14 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.79 1s6d h TYR 27 Cb 0.16 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 1s6d h TYR 27 CO -0.01 0.00 -1.52 1.28 -1.64 0.00 0.00 178.16 176.28 1s6d n LEU 28 N -4.07 0.87 0.00 2.82 4.77 -0.74 -3.65 117.00 117.00 1s6d n LEU 28 Ca 0.20 0.39 0.09 0.00 -0.03 0.00 0.00 56.01 56.66 1s6d n LEU 28 Cb 1.05 0.11 0.54 0.00 -2.33 0.00 0.00 43.42 42.79 1s6d n LEU 28 CO 0.37 0.23 0.81 0.80 -1.33 0.00 0.00 177.39 178.27 1s6d n MET 29 N -2.94 0.90 0.18 3.23 1.56 0.27 -2.03 117.12 118.29 1s6d n MET 29 Ca -0.12 0.00 0.06 0.00 -0.27 0.00 0.00 57.70 57.37 1s6d n MET 29 Cb 0.91 -1.32 0.20 0.00 2.15 0.00 0.00 33.22 35.17 1s6d n MET 29 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1s6d h LYS 30 N 0.00 0.00 0.00 2.12 1.57 -1.29 -2.73 116.57 116.24 1s6d h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s6d h LYS 30 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1s6d h LYS 30 CO 0.00 0.34 0.00 0.27 -0.57 0.00 0.00 179.45 179.49 1s6d n ASN 31 N -3.27 0.52 -0.02 0.86 0.23 -1.15 -4.72 115.26 107.70 1s6d n ASN 31 Ca 0.02 -1.24 0.03 0.00 -0.53 0.00 0.00 54.58 52.86 1s6d n ASN 31 Cb 0.60 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.27 1s6d n ASN 31 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1s6d n LEU 32 N -0.12 0.38 0.00 -4.53 4.77 -0.86 -4.95 117.00 111.70 1s6d n LEU 32 Ca 0.00 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 1s6d n LEU 32 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1s6d n LEU 32 CO 0.00 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1s6d n GLY 33 N 1.08 -0.75 0.00 -0.72 0.00 -1.03 -4.84 105.19 98.93 1s6d n GLY 33 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1s6d n GLY 33 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s6d n GLU 34 N 0.00 0.00 0.02 1.61 2.13 -1.26 -5.04 120.64 118.10 1s6d n GLU 34 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 1s6d n GLU 34 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 1s6d n GLU 34 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1s6d n ARG 35 N 0.00 0.01 -2.24 5.31 0.63 -1.26 -5.01 116.66 114.10 1s6d n ARG 35 Ca 0.00 0.01 -0.42 0.00 -0.92 0.00 0.00 57.85 56.52 1s6d n ARG 35 Cb 0.00 -0.27 -0.03 0.00 0.45 0.00 0.00 32.46 32.61 1s6d n ARG 35 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1s6d s SER 36 N -5.41 6.89 0.32 6.15 1.04 -1.26 -4.98 113.70 116.46 1s6d s SER 36 Ca -0.01 2.21 -0.18 0.00 0.48 0.00 0.00 55.95 58.45 1s6d s SER 36 Cb 0.00 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.60 1s6d s SER 36 CO 0.01 -0.62 0.83 -1.58 0.98 0.00 0.00 173.24 172.86 1s6d s GLN 37 N 1.34 1.96 0.10 4.02 0.74 -1.26 -5.13 119.66 121.44 1s6d s GLN 37 Ca 0.63 -1.23 -0.35 0.00 0.05 0.00 0.00 55.36 54.46 1s6d s GLN 37 Cb -0.34 0.57 -0.18 0.00 1.10 0.00 0.00 33.01 34.16 1s6d s GLN 37 CO 0.29 -0.91 1.03 1.55 -0.55 0.00 0.00 175.29 176.69 1s6d n VAL 38 N -0.55 0.67 -0.37 1.34 3.14 -1.26 -4.79 118.33 116.51 1s6d n VAL 38 Ca -0.07 -0.17 0.01 0.00 -2.96 0.00 0.00 64.34 61.15 1s6d n VAL 38 Cb 0.60 -0.36 0.06 0.00 -1.06 0.00 0.00 33.84 33.08 1s6d n VAL 38 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1s6d n SER 39 N 1.87 -0.57 -2.98 6.55 7.64 -1.26 -4.47 113.62 120.40 1s6d n SER 39 Ca 0.18 1.71 0.00 0.00 1.01 0.00 0.00 58.87 61.77 1s6d n SER 39 Cb 0.18 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1s6d n SER 39 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1s6d n PRO 40 N -5.48 0.42 -2.92 1.43 -0.04 -1.26 -5.09 135.00 122.06 1s6d n PRO 40 Ca 0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 1s6d n PRO 40 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1s6d n PRO 40 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1s6d s ARG 41 N -1.05 0.78 0.34 0.54 3.52 -1.26 -5.04 118.95 116.77 1s6d s ARG 41 Ca 0.00 -0.54 -0.24 0.00 -0.13 0.00 0.00 55.73 54.81 1s6d s ARG 41 Cb 0.00 0.02 -0.15 0.00 -1.56 0.00 0.00 34.95 33.26 1s6d s ARG 41 CO 0.00 -1.03 0.45 0.00 -0.81 0.00 0.00 175.30 173.91 1s6d n MET 42 N 3.55 0.32 -3.65 5.12 0.00 -1.26 -4.99 117.12 116.21 1s6d n MET 42 Ca 0.13 0.11 -0.05 0.00 0.00 0.00 0.00 57.70 57.90 1s6d n MET 42 Cb 0.58 -1.24 -0.06 0.00 0.00 0.00 0.00 33.22 32.50 1s6d n MET 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1s6d s ARG 43 N -1.24 0.61 0.24 3.17 3.52 -1.26 -5.04 118.95 118.94 1s6d s ARG 43 Ca 0.62 1.28 0.00 0.00 -0.13 0.00 0.00 55.73 57.50 1s6d s ARG 43 Cb -0.72 0.45 0.00 0.00 -1.56 0.00 0.00 34.95 33.12 1s6d s ARG 43 CO 0.59 -0.18 0.00 -1.91 -0.81 0.00 0.00 175.30 172.99 1s6d n GLU 44 N 4.85 0.00 -0.95 5.12 2.13 -1.26 -5.13 120.64 125.40 1s6d n GLU 44 Ca -0.16 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.37 1s6d n GLU 44 Cb 0.54 0.00 0.23 0.00 0.27 0.00 0.00 31.44 32.47 1s6d n GLU 44 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1s6d s GLU 45 N -2.00 -0.79 0.37 5.31 1.03 -1.26 -5.08 118.70 116.29 1s6d s GLU 45 Ca 0.00 0.31 0.06 0.00 0.03 0.00 0.00 54.97 55.36 1s6d s GLU 45 Cb 0.00 -1.61 -0.03 0.00 -0.80 0.00 0.00 34.13 31.69 1s6d s GLU 45 CO 0.00 -3.50 0.21 0.34 -1.33 0.00 0.00 175.26 170.97 1s6d s ASP 46 N -3.42 2.27 -0.09 0.83 -1.08 -1.26 -5.16 116.67 108.76 1s6d s ASP 46 Ca 0.68 -1.73 -0.04 0.00 -0.52 0.00 0.00 52.55 50.94 1s6d s ASP 46 Cb -0.16 0.56 0.05 0.00 -1.46 0.00 0.00 42.92 41.91 1s6d s ASP 46 CO 0.58 -1.01 0.20 -1.00 0.52 0.00 0.00 175.17 174.46 1s6d s HIS 47 N -3.32 -0.26 0.00 -5.34 3.76 -1.26 -4.79 115.29 104.08 1s6d s HIS 47 Ca 0.31 0.67 0.00 0.00 -0.15 0.00 0.00 55.06 55.89 1s6d s HIS 47 Cb 0.02 -0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.66 1s6d s HIS 47 CO 0.21 -0.23 0.00 1.17 -0.85 0.00 0.00 174.74 175.04 1s6d n LYS 48 N 4.50 0.00 0.00 1.40 3.00 -1.26 -4.96 118.16 120.84 1s6d n LYS 48 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 1s6d n LYS 48 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 1s6d n LYS 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1s6d n GLN 49 N -0.87 0.73 0.24 1.64 6.02 -1.26 -4.62 117.38 119.26 1s6d n GLN 49 Ca 0.00 -0.32 0.11 0.00 -0.01 0.00 0.00 57.00 56.78 1s6d n GLN 49 Cb 0.00 -0.80 0.70 0.00 1.02 0.00 0.00 30.24 31.16 1s6d n GLN 49 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1s6d h LEU 50 N 0.00 0.00 0.03 1.08 4.07 -1.93 1.07 115.31 119.64 1s6d h LEU 50 Ca 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.83 1s6d h LEU 50 Cb 0.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1s6d h LEU 50 CO 0.00 0.00 -0.67 0.00 -1.08 0.00 0.00 178.44 176.69 1s6d n MET 53 N -1.96 0.00 -0.32 0.00 0.00 0.36 -3.97 117.12 111.22 1s6d n MET 53 Ca 0.01 0.25 0.26 0.00 0.00 0.00 0.00 57.70 58.23 1s6d n MET 53 Cb 0.11 -0.75 0.57 0.00 0.00 0.00 0.00 33.22 33.15 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 0.27 -0.59 2.12 1.08 -1.34 0.98 115.11 117.63 1s6d h GLN 54 Ca 0.00 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.29 1s6d h GLN 54 Cb 0.00 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.33 1s6d h GLN 54 CO 0.00 0.18 0.40 -0.07 -0.95 0.00 0.00 178.83 178.39 1s6d h LEU 55 N 0.28 0.33 0.00 1.46 3.38 -1.39 0.98 115.31 120.34 1s6d h LEU 55 Ca 0.60 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.58 1s6d h LEU 55 Cb 1.73 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1s6d h LEU 55 CO -0.24 0.19 0.00 1.17 0.09 0.00 0.00 178.44 179.66 1s6d n LYS 56 N -4.46 0.88 -0.04 1.13 4.81 0.34 -2.63 118.16 118.18 1s6d n LYS 56 Ca 0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.52 1s6d n LYS 56 Cb 0.40 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.81 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 -1.01 0.24 0.00 3.14 2.85 0.33 -4.72 115.26 116.09 1s6d n ASN 57 Ca 0.21 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 1s6d n ASN 57 Cb 0.10 1.01 0.00 0.00 1.24 0.00 0.00 39.78 42.14 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 -2.67 0.12 0.00 1.20 4.77 -1.00 -5.08 117.00 114.35 1s6d n LEU 58 Ca -0.19 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1s6d n LEU 58 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 1s6d n LEU 58 CO 0.44 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.97 1s6d n ASP 59 N -0.05 0.00 0.07 -1.43 9.92 -1.25 -4.90 116.55 118.91 1s6d n ASP 59 Ca 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.32 1s6d n ASP 59 Cb 0.00 0.00 0.31 0.00 -0.64 0.00 0.00 41.12 40.79 1s6d n ASP 59 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1s6d n GLU 60 N -0.73 0.07 0.06 -1.24 1.02 -1.26 -0.16 120.64 118.40 1s6d n GLU 60 Ca 0.00 0.47 0.08 0.00 -0.02 0.00 0.00 57.16 57.70 1s6d n GLU 60 Cb 0.00 -1.69 -0.06 0.00 -0.02 0.00 0.00 31.44 29.67 1s6d n GLU 60 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1s6d n LYS 61 N -1.83 0.62 -0.19 3.49 4.81 -1.26 -3.82 118.16 119.98 1s6d n LYS 61 Ca 0.01 0.07 0.07 0.00 -0.87 0.00 0.00 58.31 57.59 1s6d n LYS 61 Cb 0.08 -1.75 0.18 0.00 0.02 0.00 0.00 35.03 33.56 1s6d n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s6d n MET 63 N 0.84 4.89 0.00 0.00 2.81 0.78 -3.61 117.12 122.82 1s6d n MET 63 Ca 0.14 -4.69 0.00 0.00 -1.81 0.00 0.00 57.70 51.34 1s6d n MET 63 Cb 0.46 -2.41 0.00 0.00 -0.71 0.00 0.00 33.22 30.56 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 0.44 -0.12 0.00 0.13 -1.78 -3.26 132.00 127.40 1s6d h PRO 65 Ca 0.00 -0.40 -0.04 0.00 -0.87 0.00 0.00 66.00 64.69 1s6d h PRO 65 Cb 0.00 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.22 1s6d h PRO 65 CO 0.00 1.04 -0.09 0.00 -0.23 0.00 0.00 178.00 178.72 1s6d h ALA 66 N 0.83 0.17 -1.16 -0.56 0.00 -1.84 -2.98 119.26 113.73 1s6d h ALA 66 Ca -0.05 -0.29 0.44 0.00 0.00 0.00 0.00 54.91 55.01 1s6d h ALA 66 Cb 1.42 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 19.01 1s6d h ALA 66 CO 0.14 0.00 0.69 0.82 0.00 0.00 0.00 179.25 180.90 1s6d h ILE 67 N -0.10 0.02 0.34 0.00 1.08 -1.73 0.28 117.51 117.41 1s6d h ILE 67 Ca 0.02 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 1s6d h ILE 67 Cb 0.59 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 1s6d h ILE 67 CO 0.02 0.00 -0.28 0.24 -0.69 0.00 0.00 178.15 177.45 1s6d h MET 68 N 0.02 -0.58 -0.14 2.37 2.86 -1.60 -0.34 114.93 117.52 1s6d h MET 68 Ca 0.86 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 58.57 1s6d h MET 68 Cb 2.46 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 34.24 1s6d h MET 68 CO -0.63 -0.39 0.19 0.52 1.06 0.00 0.00 176.91 177.66 1s6d h MET 69 N -0.60 0.00 0.19 1.72 2.86 -0.64 -0.15 114.93 118.31 1s6d h MET 69 Ca -0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1s6d h MET 69 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1s6d h MET 69 CO 0.00 0.00 -0.09 1.98 1.06 0.00 0.00 176.91 179.86 1s6d h MET 70 N 0.00 -0.25 -0.10 1.72 -1.53 -0.15 0.53 114.93 115.16 1s6d h MET 70 Ca 0.06 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.34 1s6d h MET 70 Cb 0.45 0.06 0.00 0.00 -0.55 0.00 0.00 31.60 31.56 1s6d h MET 70 CO -0.00 0.10 0.00 1.28 0.14 0.00 0.00 176.91 178.43 1s6d n LEU 71 N -5.04 0.65 0.00 3.39 4.77 -0.21 -2.87 117.00 117.69 1s6d n LEU 71 Ca -0.09 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1s6d n LEU 71 Cb 0.24 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1s6d n LEU 71 CO 0.31 0.15 0.26 0.59 -1.33 0.00 0.00 177.39 177.37 1s6d n ASN 72 N -0.24 0.95 -3.82 -1.43 3.02 -0.17 -4.53 115.26 109.04 1s6d n ASN 72 Ca 0.09 -1.24 -0.30 0.00 -0.03 0.00 0.00 54.58 53.10 1s6d n ASN 72 Cb 0.13 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.53 1s6d n ASN 72 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1s6d s GLU 73 N -0.24 -0.88 0.00 3.52 -1.05 0.18 -4.85 118.70 115.39 1s6d s GLU 73 Ca 0.00 -0.21 -0.01 0.00 -0.15 0.00 0.00 54.97 54.60 1s6d s GLU 73 Cb 0.00 -1.65 -0.05 0.00 -0.44 0.00 0.00 34.13 31.99 1s6d s GLU 73 CO 0.00 -3.46 1.59 -0.35 0.95 0.00 0.00 175.26 173.99 1s6d n PRO 74 N -4.55 0.80 -0.57 -4.83 -0.04 -1.26 -2.44 135.00 122.11 1s6d n PRO 74 Ca 0.14 -0.19 -0.02 0.00 -0.04 0.00 0.00 63.50 63.39 1s6d n PRO 74 Cb 0.60 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 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 2.02 0.00 -2.72 0.54 1.56 -1.26 -5.02 117.12 112.24 1s6d n MET 75 Ca 0.08 -0.31 -0.07 0.00 -0.27 0.00 0.00 57.70 57.13 1s6d n MET 75 Cb 0.38 0.34 0.07 0.00 2.15 0.00 0.00 33.22 36.16 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 -2.27 0.00 1.12 7.02 -1.02 -4.96 117.44 117.33 1s6d n TRP 76 Ca -0.09 -1.46 0.00 0.00 -1.02 0.00 0.00 57.50 54.94 1s6d n TRP 76 Cb 0.39 1.42 0.00 0.00 -2.42 0.00 0.00 31.31 30.70 1s6d n TRP 76 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1s6d n ILE 77 N 1.27 0.00 0.02 -0.99 -0.00 -1.26 -3.83 119.36 114.57 1s6d n ILE 77 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.68 1s6d n ILE 77 Cb 0.67 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 40.22 1s6d n ILE 77 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1s6d h ARG 78 N 0.00 -0.12 -0.61 0.38 -0.00 -1.98 -3.00 114.38 109.05 1s6d h ARG 78 Ca 0.00 0.01 0.18 0.00 -0.50 0.00 0.00 59.98 59.66 1s6d h ARG 78 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 29.97 1s6d h ARG 78 CO 0.00 0.38 0.77 0.00 0.00 0.00 0.00 179.97 181.12 1s6d h MET 79 N -0.74 0.00 0.03 0.04 -0.00 -1.91 1.35 114.93 113.70 1s6d h MET 79 Ca -0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 59.70 59.47 1s6d h MET 79 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.15 1s6d h MET 79 CO 0.02 0.00 -0.98 -0.09 -0.00 0.00 0.00 176.91 175.86 1s6d h ARG 80 N 0.00 0.14 -1.78 -0.10 1.12 -1.78 -3.26 114.38 108.72 1s6d h ARG 80 Ca 0.29 -0.18 0.52 0.00 -1.11 0.00 0.00 59.98 59.49 1s6d h ARG 80 Cb 1.82 0.06 -0.07 0.00 -0.01 0.00 0.00 29.97 31.77 1s6d h ARG 80 CO -0.00 1.00 1.35 -3.47 -3.11 0.00 0.00 179.97 175.74 1s6d n ASP 81 N -3.54 0.00 -0.07 -3.80 2.03 0.46 0.22 116.55 111.85 1s6d n ASP 81 Ca -0.03 0.92 -0.22 0.00 0.52 0.00 0.00 54.79 55.98 1s6d n ASP 81 Cb 0.88 -0.45 -0.12 0.00 -0.72 0.00 0.00 41.12 40.71 1s6d n ASP 81 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s6d n GLN 82 N -3.75 0.67 0.00 -0.67 6.02 -1.23 -4.07 117.38 114.36 1s6d n GLN 82 Ca 0.40 0.28 0.08 0.00 -0.01 0.00 0.00 57.00 57.75 1s6d n GLN 82 Cb 1.88 -1.63 0.42 0.00 1.02 0.00 0.00 30.24 31.93 1s6d n GLN 82 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1s6d n VAL 83 N -3.66 0.54 0.20 5.09 0.24 0.28 -2.21 118.33 118.81 1s6d n VAL 83 Ca -0.39 0.14 0.08 0.00 -2.04 0.00 0.00 64.34 62.13 1s6d n VAL 83 Cb 0.95 -0.86 0.30 0.00 -1.47 0.00 0.00 33.84 32.76 1s6d n VAL 83 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1s6d h MET 84 N 0.00 0.00 -0.63 7.34 4.05 0.25 -0.99 114.93 124.95 1s6d h MET 84 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1s6d h MET 84 Cb 0.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 1s6d h MET 84 CO 0.00 0.27 0.00 0.45 0.23 0.00 0.00 176.91 177.86 1s6d n SER 85 N -3.29 3.62 0.00 1.39 2.88 -0.94 -3.71 113.62 113.58 1s6d n SER 85 Ca 0.01 -2.15 0.00 0.00 -1.33 0.00 0.00 58.87 55.40 1s6d n SER 85 Cb 0.53 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 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 1.15 0.51 -0.26 -1.46 2.81 -0.95 -4.63 117.12 114.30 1s6d n MET 86 Ca 0.21 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.14 1s6d n MET 86 Cb 0.62 -0.97 0.16 0.00 -0.71 0.00 0.00 33.22 32.32 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 -2.37 2.71 -0.07 3.04 0.00 -0.42 -2.30 120.51 121.11 1s6d n ALA 87 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 53.44 52.73 1s6d n ALA 87 Cb 0.47 -1.01 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 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 0.38 0.00 0.10 0.00 1.44 -1.24 -4.22 115.22 111.67 1s6d n HIS 88 Ca 0.11 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.90 1s6d n HIS 88 Cb 0.43 -0.79 -0.11 0.00 0.12 0.00 0.00 29.99 29.64 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 -2.55 1.43 0.04 4.39 5.03 -1.22 -3.93 115.26 118.45 1s6d n ASN 89 Ca -0.23 -0.13 -0.13 0.00 0.87 0.00 0.00 54.58 54.96 1s6d n ASN 89 Cb 0.94 1.58 -0.09 0.00 -1.02 0.00 0.00 39.78 41.20 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 -0.06 -0.88 3.41 3.38 -1.67 0.80 115.31 120.28 1s6d h LEU 90 Ca 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1s6d h LEU 90 Cb 0.63 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1s6d h LEU 90 CO 0.00 0.23 -0.16 1.55 0.09 0.00 0.00 178.44 180.14 1s6d h PRO 91 N -0.35 0.00 0.01 1.13 0.13 -1.79 -2.81 132.00 128.33 1s6d h PRO 91 Ca -0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 1s6d h PRO 91 Cb 0.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1s6d h PRO 91 CO 0.01 0.16 -0.40 0.82 -0.23 0.00 0.00 178.00 178.36 1s6d h ILE 92 N 0.00 1.55 0.00 -3.56 2.04 -1.64 1.15 117.51 117.04 1s6d h ILE 92 Ca -0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 1s6d h ILE 92 Cb 0.81 3.09 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 1s6d h ILE 92 CO 0.02 0.55 0.00 -0.33 0.00 0.00 0.00 178.15 178.39 1s6d h GLU 93 N -0.93 0.00 0.00 2.37 5.08 0.59 0.70 114.58 122.39 1s6d h GLU 93 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1s6d h GLU 93 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1s6d h GLU 93 CO -0.04 0.00 -0.86 0.00 -1.00 0.00 0.00 179.01 177.11 1s6d n ASN 95 N -1.77 -1.71 -0.05 0.00 4.05 0.24 -4.98 115.26 111.04 1s6d n ASN 95 Ca 0.03 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 55.05 1s6d n ASN 95 Cb 0.39 -0.42 -0.01 0.00 1.23 0.00 0.00 39.78 40.98 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 -2.97 1.20 3.38 0.12 -3.40 115.31 113.64 1s6d h LEU 96 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1s6d h LEU 96 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1s6d h LEU 96 CO 0.00 0.57 -0.21 1.15 0.09 0.00 0.00 178.44 180.04 1s6d n MET 97 N -4.74 1.32 0.00 1.13 0.00 -0.63 -4.48 117.12 109.72 1s6d n MET 97 Ca -0.02 -2.77 0.00 0.00 0.00 0.00 0.00 57.70 54.91 1s6d n MET 97 Cb 0.07 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.81 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 -1.24 0.00 -2.71 3.17 2.88 -1.26 -4.24 113.62 110.22 1s6d n SER 98 Ca 0.16 0.65 -0.08 0.00 -1.33 0.00 0.00 58.87 58.27 1s6d n SER 98 Cb 0.67 -0.29 0.11 0.00 -0.75 0.00 0.00 64.21 63.95 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 -2.38 1.16 0.06 -1.46 7.27 -1.26 -4.97 117.38 115.80 1s6d n GLN 99 Ca 0.00 -1.94 -0.03 0.00 0.07 0.00 0.00 57.00 55.10 1s6d n GLN 99 Cb 0.00 -0.31 -0.01 0.00 2.41 0.00 0.00 30.24 32.33 1s6d n GLN 99 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1s6d h PRO 100 N 2.25 -0.17 -6.37 3.69 0.13 -1.89 -3.43 132.00 126.21 1s6d h PRO 100 Ca -0.23 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.36 1s6d h PRO 100 Cb 1.25 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1s6d h PRO 100 CO 0.01 -0.11 0.73 0.00 -0.23 0.00 0.00 178.00 178.40 1s6d n GLN 102 N 5.05 0.74 0.00 0.00 6.02 -1.26 -5.10 117.38 122.83 1s6d n GLN 102 Ca 0.11 -3.08 0.08 0.00 -0.01 0.00 0.00 57.00 54.10 1s6d n GLN 102 Cb 0.45 1.35 0.48 0.00 1.02 0.00 0.00 30.24 33.54 1s6d n GLN 102 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05