#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 4.11 -1.26 -5.04 117.16 115.51 1s6d n TYR 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1s6d n TYR 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1s6d n TYR 2 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1s6d n GLY 3 N -0.89 -1.61 3.36 -7.48 0.00 -1.26 -5.17 105.19 92.15 1s6d n GLY 3 Ca 0.00 0.77 -0.20 0.00 0.00 0.00 0.00 46.02 46.59 1s6d n GLY 3 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s6d s ARG 4 N 0.00 1.67 -0.37 1.61 3.52 -1.26 -5.13 118.95 119.00 1s6d s ARG 4 Ca 0.00 -1.97 -0.05 0.00 -0.13 0.00 0.00 55.73 53.58 1s6d s ARG 4 Cb 0.00 -0.16 0.22 0.00 -1.56 0.00 0.00 34.95 33.45 1s6d s ARG 4 CO 0.00 -0.47 1.06 0.41 -0.81 0.00 0.00 175.30 175.49 1s6d n GLY 5 N -0.65 -1.54 3.31 8.12 0.00 -1.26 -4.83 105.19 108.34 1s6d n GLY 5 Ca 0.00 1.15 -0.14 0.00 0.00 0.00 0.00 46.02 47.03 1s6d n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6d s ARG 6 N 0.90 1.51 -0.41 1.61 1.81 -1.26 -5.13 118.95 117.98 1s6d s ARG 6 Ca 0.25 -1.72 0.00 0.00 -1.72 0.00 0.00 55.73 52.54 1s6d s ARG 6 Cb 0.12 0.33 0.11 0.00 -0.45 0.00 0.00 34.95 35.07 1s6d s ARG 6 CO -0.10 -0.55 0.17 0.95 -0.68 0.00 0.00 175.30 175.08 1s6d s THR 7 N -3.77 2.89 -0.09 0.02 -4.23 -1.26 -4.87 115.64 104.33 1s6d s THR 7 Ca 0.36 -2.32 0.11 0.00 -1.18 0.00 0.00 61.69 58.66 1s6d s THR 7 Cb 0.04 -3.02 -0.16 0.00 1.34 0.00 0.00 72.50 70.70 1s6d s THR 7 CO 0.18 -0.68 0.10 -0.62 -0.54 0.00 0.00 174.62 173.06 1s6d n GLU 8 N 4.29 1.65 0.00 3.99 -0.58 -1.26 -5.04 120.64 123.69 1s6d n GLU 8 Ca 0.01 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1s6d n GLU 8 Cb 0.41 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1s6d n GLU 8 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1s6d n SER 9 N -2.29 -1.25 0.00 1.62 7.64 -1.26 -5.08 113.62 113.00 1s6d n SER 9 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1s6d n SER 9 Cb 0.72 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 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 0.00 2.84 0.37 0.23 0.00 -1.26 -4.85 105.19 102.51 1s6d n GLY 10 Ca 0.00 -0.36 0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 0.46 -1.04 -0.78 0.00 3.20 -1.92 0.38 116.97 117.28 1s6d h TYR 12 Ca 0.65 0.08 -0.04 0.00 3.14 0.00 0.00 58.73 62.56 1s6d h TYR 12 Cb 1.45 0.56 -0.03 0.00 1.54 0.00 0.00 36.73 40.24 1s6d h TYR 12 CO -0.01 -0.39 0.31 0.37 -1.64 0.00 0.00 178.16 176.80 1s6d h GLN 13 N -0.13 1.16 0.00 1.82 4.15 -0.76 -0.85 115.11 120.50 1s6d h GLN 13 Ca 0.25 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1s6d h GLN 13 Cb 0.56 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1s6d h GLN 13 CO -0.77 0.94 0.00 1.04 -1.93 0.00 0.00 178.83 178.12 1s6d n GLN 14 N -4.30 0.01 -0.04 1.69 6.02 0.28 -3.18 117.38 117.85 1s6d n GLN 14 Ca 0.07 0.30 -0.01 0.00 -0.01 0.00 0.00 57.00 57.35 1s6d n GLN 14 Cb 0.18 -1.52 -0.00 0.00 1.02 0.00 0.00 30.24 29.92 1s6d n GLN 14 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1s6d h MET 15 N 0.00 0.00 -0.93 -1.09 4.05 0.11 -3.06 114.93 114.01 1s6d h MET 15 Ca 0.00 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.58 1s6d h MET 15 Cb 0.21 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 30.94 1s6d h MET 15 CO 0.00 0.00 0.59 1.05 0.23 0.00 0.00 176.91 178.78 1s6d h GLU 16 N -0.75 0.67 0.00 0.39 4.11 -1.60 0.31 114.58 117.71 1s6d h GLU 16 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 1s6d h GLU 16 Cb 0.14 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1s6d h GLU 16 CO 0.00 0.44 -0.11 1.49 0.07 0.00 0.00 179.01 180.90 1s6d h GLU 17 N 0.69 0.00 -1.46 1.06 4.22 -1.70 -3.03 114.58 114.36 1s6d h GLU 17 Ca 0.48 0.00 -0.47 0.00 0.08 0.00 0.00 59.36 59.46 1s6d h GLU 17 Cb 0.81 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.65 1s6d h GLU 17 CO -0.24 0.11 -1.02 0.00 -2.18 0.00 0.00 179.01 175.68 1s6d n ALA 18 N -2.21 3.71 -1.50 2.92 0.00 0.57 -5.06 120.51 118.93 1s6d n ALA 18 Ca -0.01 -3.66 -0.29 0.00 0.00 0.00 0.00 53.44 49.48 1s6d n ALA 18 Cb 0.28 -0.81 -0.19 0.00 0.00 0.00 0.00 19.45 18.72 1s6d n ALA 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1s6d n GLU 19 N -0.12 0.03 -0.13 0.00 0.28 0.78 -4.69 120.64 116.78 1s6d n GLU 19 Ca 0.22 -0.02 -0.18 0.00 -0.16 0.00 0.00 57.16 57.02 1s6d n GLU 19 Cb 0.70 -1.28 -0.12 0.00 1.43 0.00 0.00 31.44 32.18 1s6d n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1s6d n MET 20 N 6.72 0.65 -1.00 3.44 0.00 -1.26 -4.02 117.12 121.64 1s6d n MET 20 Ca 0.66 0.15 -0.21 0.00 0.00 0.00 0.00 57.70 58.30 1s6d n MET 20 Cb 0.11 -1.52 0.05 0.00 0.00 0.00 0.00 33.22 31.87 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 -3.25 6.72 -0.07 3.17 4.77 -1.26 -3.74 117.00 123.33 1s6d n LEU 21 Ca -0.46 -3.53 -0.09 0.00 -0.03 0.00 0.00 56.01 51.91 1s6d n LEU 21 Cb 0.99 -1.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 1s6d n LEU 21 CO 0.26 1.26 -0.93 0.59 -1.33 0.00 0.00 177.39 177.24 1s6d n ASN 22 N -0.04 2.72 -0.02 -1.43 4.13 -1.26 -3.94 115.26 115.41 1s6d n ASN 22 Ca 0.39 -0.05 -0.16 0.00 1.68 0.00 0.00 54.58 56.44 1s6d n ASN 22 Cb 0.64 0.06 -0.13 0.00 -1.54 0.00 0.00 39.78 38.82 1s6d n ASN 22 CO 0.00 0.00 0.00 0.45 0.28 0.00 0.00 177.26 177.99 1s6d h HIS 23 N 0.00 0.24 0.00 3.10 3.86 -1.80 -1.97 115.15 118.58 1s6d h HIS 23 Ca -0.31 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1s6d h HIS 23 Cb 1.55 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.00 1s6d h HIS 23 CO 0.01 1.06 0.00 0.00 0.86 0.00 0.00 177.93 179.86 1s6d h GLY 25 N 2.00 0.35 1.19 0.00 0.00 -1.64 -3.35 103.07 101.61 1s6d h GLY 25 Ca 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 47.33 46.40 1s6d h GLY 25 CO 0.00 0.77 0.25 -0.33 0.00 0.00 0.00 176.54 177.23 1s6d h MET 26 N 0.08 1.03 -0.38 4.80 2.86 -0.94 0.26 114.93 122.64 1s6d h MET 26 Ca -0.35 -0.19 0.07 0.00 -2.06 0.00 0.00 59.70 57.17 1s6d h MET 26 Cb 2.06 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 33.53 1s6d h MET 26 CO 0.14 0.85 0.26 -0.92 1.06 0.00 0.00 176.91 178.30 1s6d h TYR 27 N 1.00 0.22 0.00 -0.22 5.03 -1.69 0.21 116.97 121.53 1s6d h TYR 27 Ca 0.23 0.01 -0.13 0.00 2.58 0.00 0.00 58.73 61.42 1s6d h TYR 27 Cb 0.23 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 1s6d h TYR 27 CO 0.02 0.12 -1.56 1.28 -1.32 0.00 0.00 178.16 176.70 1s6d n LEU 28 N -4.47 0.60 -0.88 2.82 4.77 -0.28 -3.75 117.00 115.80 1s6d n LEU 28 Ca 0.05 0.25 0.09 0.00 -0.03 0.00 0.00 56.01 56.38 1s6d n LEU 28 Cb 0.29 0.09 0.26 0.00 -2.33 0.00 0.00 43.42 41.73 1s6d n LEU 28 CO 0.35 0.10 0.71 0.80 -1.33 0.00 0.00 177.39 178.02 1s6d n MET 29 N -2.72 2.12 0.10 3.23 1.56 0.77 -3.92 117.12 118.26 1s6d n MET 29 Ca -0.10 -1.72 0.03 0.00 -0.27 0.00 0.00 57.70 55.64 1s6d n MET 29 Cb 0.77 -1.41 -0.01 0.00 2.15 0.00 0.00 33.22 34.72 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 3.04 0.00 -0.00 2.12 3.64 -0.69 -3.21 116.57 121.46 1s6d h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1s6d h LYS 30 Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1s6d h LYS 30 CO 0.00 0.36 -0.69 0.27 -2.27 0.00 0.00 179.45 177.12 1s6d n ASN 31 N -3.06 1.05 0.07 4.20 6.94 -1.26 -4.32 115.26 118.89 1s6d n ASN 31 Ca -0.02 -1.02 0.12 0.00 -0.02 0.00 0.00 54.58 53.64 1s6d n ASN 31 Cb 0.75 0.86 0.26 0.00 -2.36 0.00 0.00 39.78 39.29 1s6d n ASN 31 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1s6d n LEU 32 N -1.06 0.72 0.00 -4.53 4.77 -1.23 -5.03 117.00 110.64 1s6d n LEU 32 Ca 0.04 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1s6d n LEU 32 Cb 0.29 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1s6d n LEU 32 CO 0.31 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1s6d n GLY 33 N 1.34 -1.25 0.00 -0.72 0.00 -1.21 -5.08 105.19 98.27 1s6d n GLY 33 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 3.85 -2.94 1.61 2.13 -1.26 -4.45 120.64 119.57 1s6d n GLU 34 Ca 0.00 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.38 1s6d n GLU 34 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1s6d n GLU 34 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1s6d s ARG 35 N 2.03 3.34 0.11 5.31 0.52 -1.26 -4.93 118.95 124.07 1s6d s ARG 35 Ca 0.00 -1.39 -0.33 0.00 -0.52 0.00 0.00 55.73 53.49 1s6d s ARG 35 Cb 0.00 -4.56 -0.12 0.00 0.52 0.00 0.00 34.95 30.79 1s6d s ARG 35 CO 0.00 -1.74 1.57 0.66 0.02 0.00 0.00 175.30 175.81 1s6d h SER 36 N 9.12 -1.39 -3.68 0.23 4.64 -2.02 -3.42 113.55 117.02 1s6d h SER 36 Ca -0.07 0.15 -0.67 0.00 -0.47 0.00 0.00 61.79 60.73 1s6d h SER 36 Cb 1.05 0.52 -0.18 0.00 -0.31 0.00 0.00 62.40 63.48 1s6d h SER 36 CO 1.12 -0.53 -0.76 -1.58 -0.87 0.00 0.00 176.83 174.21 1s6d s GLN 37 N -5.86 2.06 0.20 4.77 0.74 -1.26 -5.08 119.66 115.24 1s6d s GLN 37 Ca -0.16 -1.03 -0.32 0.00 0.05 0.00 0.00 55.36 53.90 1s6d s GLN 37 Cb 0.07 -2.25 -0.12 0.00 1.10 0.00 0.00 33.01 31.81 1s6d s GLN 37 CO 0.62 0.51 1.74 1.55 -0.55 0.00 0.00 175.29 179.17 1s6d n VAL 38 N 0.95 0.05 -3.01 1.34 3.14 -1.26 -4.94 118.33 114.59 1s6d n VAL 38 Ca -0.15 -0.01 -0.16 0.00 -2.96 0.00 0.00 64.34 61.06 1s6d n VAL 38 Cb 0.52 -2.01 -0.02 0.00 -1.06 0.00 0.00 33.84 31.27 1s6d n VAL 38 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1s6d n SER 39 N 4.21 -1.51 -4.56 6.55 2.88 -1.26 -5.07 113.62 114.85 1s6d n SER 39 Ca 0.16 -2.87 -0.31 0.00 -1.33 0.00 0.00 58.87 54.52 1s6d n SER 39 Cb 0.35 0.55 -0.04 0.00 -0.75 0.00 0.00 64.21 64.32 1s6d n SER 39 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1s6d s PRO 40 N -0.04 2.89 0.06 -1.46 0.04 -1.26 -4.85 135.00 130.37 1s6d s PRO 40 Ca 0.33 -0.55 -0.14 0.00 0.04 0.00 0.00 61.00 60.68 1s6d s PRO 40 Cb 0.14 -5.15 -0.04 0.00 0.04 0.00 0.00 34.50 29.49 1s6d s PRO 40 CO -0.16 -3.00 1.23 -0.09 0.04 0.00 0.00 177.00 175.01 1s6d h ARG 41 N 10.83 -0.12 0.00 4.56 9.65 -1.98 -3.44 114.38 133.89 1s6d h ARG 41 Ca 0.13 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1s6d h ARG 41 Cb 1.01 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 1s6d h ARG 41 CO 1.28 -0.08 0.00 -1.33 2.80 0.00 0.00 179.97 182.64 1s6d n MET 42 N -3.85 0.00 0.00 0.20 2.81 -1.26 -5.06 117.12 109.96 1s6d n MET 42 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1s6d n MET 42 Cb 0.13 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.64 1s6d n MET 42 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1s6d n ARG 43 N -3.03 0.00 -1.41 0.03 1.85 -1.26 -5.15 116.66 107.68 1s6d n ARG 43 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 1s6d n ARG 43 Cb 0.00 0.00 0.15 0.00 -1.05 0.00 0.00 32.46 31.56 1s6d n ARG 43 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1s6d s GLU 44 N 0.00 0.86 -0.45 2.89 2.12 -1.26 -5.06 118.70 117.80 1s6d s GLU 44 Ca 0.00 0.35 0.06 0.00 0.36 0.00 0.00 54.97 55.74 1s6d s GLU 44 Cb 0.00 -1.80 0.19 0.00 0.26 0.00 0.00 34.13 32.77 1s6d s GLU 44 CO 0.00 -2.40 0.72 -1.21 -0.54 0.00 0.00 175.26 171.84 1s6d s GLU 45 N -5.18 0.87 -0.29 4.30 2.02 -1.26 -4.90 118.70 114.26 1s6d s GLU 45 Ca 0.64 -0.62 -0.19 0.00 0.02 0.00 0.00 54.97 54.82 1s6d s GLU 45 Cb -0.16 0.02 0.18 0.00 0.10 0.00 0.00 34.13 34.27 1s6d s GLU 45 CO 0.55 -1.15 1.22 0.34 0.02 0.00 0.00 175.26 176.23 1s6d s ASP 46 N 1.36 -0.21 0.54 -0.19 2.15 -1.26 -5.18 116.67 113.88 1s6d s ASP 46 Ca 0.23 0.35 0.02 0.00 0.43 0.00 0.00 52.55 53.57 1s6d s ASP 46 Cb -0.01 0.81 0.02 0.00 -0.30 0.00 0.00 42.92 43.44 1s6d s ASP 46 CO -0.07 -0.06 0.13 -1.00 -0.17 0.00 0.00 175.17 174.01 1s6d s HIS 47 N 0.75 1.65 0.00 -5.34 3.76 -1.26 -4.98 115.29 109.87 1s6d s HIS 47 Ca -0.03 -0.97 0.00 0.00 -0.15 0.00 0.00 55.06 53.91 1s6d s HIS 47 Cb -0.04 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.98 1s6d s HIS 47 CO -0.12 -0.05 0.00 1.63 -0.85 0.00 0.00 174.74 175.35 1s6d n LYS 48 N -1.48 0.00 -0.28 1.40 4.76 -1.26 -4.93 118.16 116.37 1s6d n LYS 48 Ca -0.16 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.35 1s6d n LYS 48 Cb 0.66 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.96 1s6d n LYS 48 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1s6d n GLN 49 N 0.00 0.92 0.02 1.97 6.02 -1.26 -4.73 117.38 120.33 1s6d n GLN 49 Ca 0.00 -2.20 -0.19 0.00 -0.01 0.00 0.00 57.00 54.60 1s6d n GLN 49 Cb 0.00 -1.19 -0.11 0.00 1.02 0.00 0.00 30.24 29.96 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 0.12 0.72 -0.42 1.08 3.38 -1.94 -1.89 115.31 116.37 1s6d h LEU 50 Ca -0.01 -0.75 -0.04 0.00 0.09 0.00 0.00 57.88 57.18 1s6d h LEU 50 Cb 1.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1s6d h LEU 50 CO 0.00 1.37 0.11 0.00 0.09 0.00 0.00 178.44 180.02 1s6d h MET 53 N 0.00 -0.08 -0.05 0.00 -1.53 -0.46 -2.73 114.93 110.08 1s6d h MET 53 Ca 0.00 0.01 -0.10 0.00 -3.44 0.00 0.00 59.70 56.17 1s6d h MET 53 Cb 0.19 0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.24 1s6d h MET 53 CO 0.00 -0.06 -0.42 1.96 0.14 0.00 0.00 176.91 178.53 1s6d h GLN 54 N -0.13 0.10 -0.33 0.39 4.20 -1.42 -2.20 115.11 115.73 1s6d h GLN 54 Ca -0.01 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.71 1s6d h GLN 54 Cb 0.07 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1s6d h GLN 54 CO 0.01 0.51 0.23 -0.07 -0.67 0.00 0.00 178.83 178.84 1s6d h LEU 55 N 0.09 0.16 -0.43 1.46 3.38 -1.21 0.24 115.31 119.00 1s6d h LEU 55 Ca 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1s6d h LEU 55 Cb 0.79 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1s6d h LEU 55 CO 0.06 0.10 -0.75 0.50 0.09 0.00 0.00 178.44 178.44 1s6d h LYS 56 N 0.18 0.29 -0.52 1.13 3.64 -1.07 -3.10 116.57 117.12 1s6d h LYS 56 Ca 0.15 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1s6d h LYS 56 Cb 0.36 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1s6d h LYS 56 CO -0.02 0.91 0.35 -0.91 -2.27 0.00 0.00 179.45 177.50 1s6d h ASN 57 N 0.19 0.55 -1.22 4.20 2.35 -0.35 -3.44 115.58 117.87 1s6d h ASN 57 Ca -0.03 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1s6d h ASN 57 Cb 1.32 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1s6d h ASN 57 CO 0.12 0.39 0.00 0.18 -1.65 0.00 0.00 177.43 176.47 1s6d n LEU 58 N -4.47 0.00 -4.68 1.61 4.77 -0.55 -5.07 117.00 108.61 1s6d n LEU 58 Ca 0.05 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.79 1s6d n LEU 58 Cb 0.10 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1s6d n LEU 58 CO 0.35 -1.10 -0.31 -1.81 -1.33 0.00 0.00 177.39 173.19 1s6d s ASP 59 N -1.67 4.78 0.26 -1.43 1.11 -1.26 -4.99 116.67 113.47 1s6d s ASP 59 Ca 0.00 -0.47 0.21 0.00 0.18 0.00 0.00 52.55 52.47 1s6d s ASP 59 Cb 0.00 -1.00 1.00 0.00 1.07 0.00 0.00 42.92 43.99 1s6d s ASP 59 CO 0.00 0.04 1.65 1.21 1.18 0.00 0.00 175.17 179.25 1s6d n GLU 60 N -0.55 0.16 0.02 8.23 2.13 -1.26 0.29 120.64 129.65 1s6d n GLU 60 Ca -0.08 0.51 0.12 0.00 0.66 0.00 0.00 57.16 58.36 1s6d n GLU 60 Cb 0.57 -1.88 0.12 0.00 0.27 0.00 0.00 31.44 30.52 1s6d n GLU 60 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1s6d n LYS 61 N -2.19 0.14 -0.01 5.31 4.76 -1.26 -3.87 118.16 121.04 1s6d n LYS 61 Ca 0.01 0.01 0.09 0.00 -2.87 0.00 0.00 58.31 55.55 1s6d n LYS 61 Cb 0.14 -1.56 -0.13 0.00 -1.84 0.00 0.00 35.03 31.64 1s6d n LYS 61 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s6d n MET 63 N -1.90 3.76 0.00 0.00 2.81 0.43 -1.84 117.12 120.38 1s6d n MET 63 Ca -0.01 -2.76 0.00 0.00 -1.81 0.00 0.00 57.70 53.12 1s6d n MET 63 Cb 0.41 -2.87 0.00 0.00 -0.71 0.00 0.00 33.22 30.05 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 0.03 0.11 0.00 0.13 -1.77 -3.20 132.00 127.30 1s6d h PRO 65 Ca 0.00 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1s6d h PRO 65 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1s6d h PRO 65 CO 0.00 0.96 -0.05 0.00 -0.23 0.00 0.00 178.00 178.68 1s6d h ALA 66 N 1.01 -0.15 -0.79 -0.56 0.00 -1.66 -3.24 119.26 113.88 1s6d h ALA 66 Ca -0.02 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.81 1s6d h ALA 66 Cb 1.68 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 19.38 1s6d h ALA 66 CO 0.13 -0.32 -0.21 0.82 0.00 0.00 0.00 179.25 179.67 1s6d h ILE 67 N -0.67 0.20 -0.94 0.00 2.04 -1.69 0.54 117.51 117.00 1s6d h ILE 67 Ca -0.01 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.11 1s6d h ILE 67 Cb 0.52 0.20 -0.14 0.00 -0.74 0.00 0.00 36.82 36.66 1s6d h ILE 67 CO 0.02 0.00 0.42 -0.03 0.00 0.00 0.00 178.15 178.57 1s6d h MET 68 N -0.01 0.31 0.01 2.37 4.05 -1.58 0.34 114.93 120.43 1s6d h MET 68 Ca 0.37 -0.02 -0.20 0.00 -0.28 0.00 0.00 59.70 59.57 1s6d h MET 68 Cb 0.58 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1s6d h MET 68 CO -0.81 0.20 -0.92 0.52 0.23 0.00 0.00 176.91 176.13 1s6d h MET 69 N 0.32 0.16 -0.81 0.39 2.86 -0.05 -3.29 114.93 114.51 1s6d h MET 69 Ca 0.63 -0.19 0.11 0.00 -2.06 0.00 0.00 59.70 58.20 1s6d h MET 69 Cb 1.34 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 33.00 1s6d h MET 69 CO -0.60 0.97 0.53 0.00 1.06 0.00 0.00 176.91 178.87 1s6d h MET 70 N 0.08 0.66 -0.24 1.72 3.00 0.15 0.30 114.93 120.60 1s6d h MET 70 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 59.70 59.62 1s6d h MET 70 Cb 1.57 -0.15 0.00 0.00 0.00 0.00 0.00 31.60 33.02 1s6d h MET 70 CO 0.14 0.44 0.00 1.28 0.00 0.00 0.00 176.91 178.77 1s6d n LEU 71 N -4.52 1.54 -0.04 -0.10 4.77 -0.76 -2.90 117.00 114.99 1s6d n LEU 71 Ca 0.14 -0.72 0.01 0.00 -0.03 0.00 0.00 56.01 55.41 1s6d n LEU 71 Cb 0.39 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1s6d n LEU 71 CO 0.31 0.36 0.24 0.59 -1.33 0.00 0.00 177.39 177.57 1s6d n ASN 72 N 0.29 0.98 -3.76 -1.43 3.02 0.92 -4.31 115.26 110.98 1s6d n ASN 72 Ca 0.12 -0.99 -0.30 0.00 -0.03 0.00 0.00 54.58 53.38 1s6d n ASN 72 Cb 0.27 0.11 0.25 0.00 -0.61 0.00 0.00 39.78 39.80 1s6d n ASN 72 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s6d s GLU 73 N -0.20 -1.72 0.00 3.52 2.02 -0.44 -4.84 118.70 117.03 1s6d s GLU 73 Ca 0.01 0.06 -0.00 0.00 0.02 0.00 0.00 54.97 55.06 1s6d s GLU 73 Cb 0.01 -1.53 -0.02 0.00 0.10 0.00 0.00 34.13 32.70 1s6d s GLU 73 CO 0.02 -4.07 1.48 -0.35 0.02 0.00 0.00 175.26 172.36 1s6d n PRO 74 N -5.04 0.75 -0.35 0.39 -0.04 -1.26 -2.31 135.00 127.14 1s6d n PRO 74 Ca 0.12 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1s6d n PRO 74 Cb 0.59 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 1.74 0.00 -3.20 0.54 1.56 -1.26 -5.07 117.12 111.43 1s6d n MET 75 Ca 0.02 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.47 1s6d n MET 75 Cb 0.37 0.00 -0.01 0.00 2.15 0.00 0.00 33.22 35.73 1s6d n MET 75 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 1s6d s TRP 76 N 0.00 -1.75 0.00 1.12 0.52 -0.98 -4.91 118.94 112.94 1s6d s TRP 76 Ca 0.00 0.49 0.00 0.00 0.02 0.00 0.00 56.10 56.61 1s6d s TRP 76 Cb 0.00 0.31 0.00 0.00 -1.15 0.00 0.00 33.47 32.63 1s6d s TRP 76 CO 0.00 -1.15 0.00 -0.89 0.02 0.00 0.00 176.95 174.93 1s6d n ILE 77 N 4.71 0.00 -0.10 2.03 -0.00 -1.26 -3.54 119.36 121.20 1s6d n ILE 77 Ca 0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.71 1s6d n ILE 77 Cb 0.56 -0.19 -0.14 0.00 -0.00 0.00 0.00 39.64 39.87 1s6d n ILE 77 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 1s6d n ARG 78 N -0.75 0.67 0.26 0.38 1.85 -1.26 -4.12 116.66 113.70 1s6d n ARG 78 Ca 0.00 0.09 0.17 0.00 -1.00 0.00 0.00 57.85 57.11 1s6d n ARG 78 Cb 0.00 -1.55 0.73 0.00 -1.05 0.00 0.00 32.46 30.59 1s6d n ARG 78 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s6d h MET 79 N 0.00 0.00 0.00 2.89 -0.00 -1.96 -1.68 114.93 114.18 1s6d h MET 79 Ca -0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.13 1s6d h MET 79 Cb 2.09 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.69 1s6d h MET 79 CO -0.01 0.00 -0.18 0.07 -0.00 0.00 0.00 176.91 176.79 1s6d h ARG 80 N 0.00 0.00 -1.39 -0.10 0.11 -1.88 -3.30 114.38 107.82 1s6d h ARG 80 Ca 0.00 0.00 0.41 0.00 0.10 0.00 0.00 59.98 60.49 1s6d h ARG 80 Cb 0.40 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.41 1s6d h ARG 80 CO 0.00 0.18 0.97 0.22 0.10 0.00 0.00 179.97 181.45 1s6d h ASP 81 N 0.00 0.11 0.08 0.08 1.82 -1.48 0.59 116.42 117.62 1s6d h ASP 81 Ca -0.00 0.04 -0.19 0.00 -0.39 0.00 0.00 57.03 56.48 1s6d h ASP 81 Cb 1.01 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.04 1s6d h ASP 81 CO 0.02 -0.02 -0.97 1.56 -1.61 0.00 0.00 179.24 178.22 1s6d h GLN 82 N 0.07 0.17 0.00 0.28 7.50 -1.77 -3.32 115.11 118.04 1s6d h GLN 82 Ca 0.71 -0.28 0.00 0.00 0.50 0.00 0.00 58.65 59.58 1s6d h GLN 82 Cb 2.60 0.11 0.00 0.00 0.05 0.00 0.00 27.48 30.23 1s6d h GLN 82 CO -0.12 1.14 0.00 1.33 -1.50 0.00 0.00 178.83 179.67 1s6d n VAL 83 N -4.19 1.52 -0.02 -0.54 0.24 0.19 -2.75 118.33 112.78 1s6d n VAL 83 Ca -0.21 0.38 -0.09 0.00 -2.04 0.00 0.00 64.34 62.39 1s6d n VAL 83 Cb 0.76 -1.32 -0.07 0.00 -1.47 0.00 0.00 33.84 31.74 1s6d n VAL 83 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1s6d h MET 84 N 0.00 -0.08 0.00 7.34 2.86 -0.03 0.59 114.93 125.61 1s6d h MET 84 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1s6d h MET 84 Cb 0.05 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1s6d h MET 84 CO 0.00 0.41 0.00 0.45 1.06 0.00 0.00 176.91 178.83 1s6d n SER 85 N -4.77 0.00 -0.05 1.22 2.88 -1.11 -2.38 113.62 109.40 1s6d n SER 85 Ca -0.06 -0.50 -0.06 0.00 -1.33 0.00 0.00 58.87 56.91 1s6d n SER 85 Cb 0.26 -0.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.61 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 -1.04 1.47 -0.62 -1.46 2.81 -1.16 -4.49 117.12 112.64 1s6d n MET 86 Ca 0.13 0.03 -0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1s6d n MET 86 Cb 0.08 -1.24 0.22 0.00 -0.71 0.00 0.00 33.22 31.56 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 -2.58 3.63 -0.05 3.04 0.00 0.20 -2.45 120.51 122.31 1s6d n ALA 87 Ca -0.18 -1.35 -0.03 0.00 0.00 0.00 0.00 53.44 51.88 1s6d n ALA 87 Cb 0.77 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.98 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 0.18 0.00 -0.03 0.00 1.44 -1.00 -4.40 115.22 111.40 1s6d n HIS 88 Ca 0.22 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.92 1s6d n HIS 88 Cb 0.94 -0.60 -0.08 0.00 0.12 0.00 0.00 29.99 30.37 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 -2.38 2.61 -0.21 4.39 5.03 -1.22 -4.21 115.26 119.26 1s6d n ASN 89 Ca -0.17 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.26 1s6d n ASN 89 Cb 0.80 0.98 0.09 0.00 -1.02 0.00 0.00 39.78 40.63 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 0.46 -0.18 3.41 3.38 -1.74 0.43 115.31 121.08 1s6d h LEU 90 Ca -0.18 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1s6d h LEU 90 Cb 1.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1s6d h LEU 90 CO 0.01 0.30 0.00 -0.81 0.09 0.00 0.00 178.44 178.03 1s6d n PRO 91 N -4.84 0.17 -0.03 1.13 -0.04 -1.26 -3.20 135.00 126.93 1s6d n PRO 91 Ca 0.08 0.23 -0.21 0.00 -0.04 0.00 0.00 63.50 63.55 1s6d n PRO 91 Cb 0.19 -1.74 -0.13 0.00 -0.04 0.00 0.00 33.50 31.78 1s6d n PRO 91 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1s6d n ILE 92 N -2.05 1.72 -0.35 0.52 5.41 -0.64 0.50 119.36 124.48 1s6d n ILE 92 Ca 0.05 -0.55 0.05 0.00 1.00 0.00 0.00 62.75 63.29 1s6d n ILE 92 Cb 0.34 -1.75 0.20 0.00 -0.71 0.00 0.00 39.64 37.72 1s6d n ILE 92 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 1s6d h GLU 93 N -0.11 0.96 0.00 0.38 4.11 -0.24 0.26 114.58 119.94 1s6d h GLU 93 Ca -0.44 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 58.92 1s6d h GLU 93 Cb 1.91 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.94 1s6d h GLU 93 CO 0.02 0.64 -0.08 0.00 0.07 0.00 0.00 179.01 179.66 1s6d n ASN 95 N -3.14 -0.37 -0.06 0.00 4.05 0.91 -5.02 115.26 111.63 1s6d n ASN 95 Ca 0.02 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 55.02 1s6d n ASN 95 Cb 0.48 -0.16 -0.03 0.00 1.23 0.00 0.00 39.78 41.29 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 -3.08 1.20 3.38 -0.11 -3.40 115.31 113.30 1s6d h LEU 96 Ca 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1s6d h LEU 96 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1s6d h LEU 96 CO 0.00 0.65 -0.06 1.15 0.09 0.00 0.00 178.44 180.27 1s6d n MET 97 N -4.72 1.70 0.00 1.13 0.00 0.42 -4.55 117.12 111.11 1s6d n MET 97 Ca -0.04 -2.76 0.00 0.00 0.00 0.00 0.00 57.70 54.90 1s6d n MET 97 Cb 0.14 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 31.75 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 -1.18 0.00 -2.74 3.17 2.88 -1.26 -4.10 113.62 110.39 1s6d n SER 98 Ca 0.19 0.58 -0.09 0.00 -1.33 0.00 0.00 58.87 58.22 1s6d n SER 98 Cb 0.72 -0.24 0.07 0.00 -0.75 0.00 0.00 64.21 64.02 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 -2.13 1.13 0.04 -1.46 7.27 -1.26 -4.97 117.38 116.00 1s6d n GLN 99 Ca 0.00 -2.48 -0.09 0.00 0.07 0.00 0.00 57.00 54.49 1s6d n GLN 99 Cb 0.00 -0.75 -0.07 0.00 2.41 0.00 0.00 30.24 31.84 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 2.57 -0.19 -6.02 3.69 0.13 -1.89 -3.45 132.00 126.85 1s6d h PRO 100 Ca -0.16 0.01 -0.85 0.00 -0.87 0.00 0.00 66.00 64.14 1s6d h PRO 100 Cb 1.20 0.04 0.02 0.00 0.13 0.00 0.00 31.00 32.39 1s6d h PRO 100 CO 0.21 0.21 0.60 0.00 -0.23 0.00 0.00 178.00 178.79 1s6d n GLN 102 N 3.69 0.78 0.00 0.00 6.02 -1.26 -5.18 117.38 121.42 1s6d n GLN 102 Ca 0.28 -3.49 0.16 0.00 -0.01 0.00 0.00 57.00 53.95 1s6d n GLN 102 Cb -0.01 1.13 0.89 0.00 1.02 0.00 0.00 30.24 33.27 1s6d n GLN 102 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93