#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 -3.72 0.54 4.19 -1.26 -4.96 117.16 111.95 1s6d n TYR 2 Ca 0.00 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.17 1s6d n TYR 2 Cb 0.00 0.16 0.02 0.00 0.49 0.00 0.00 39.34 40.01 1s6d n TYR 2 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1s6d n GLY 3 N 0.00 0.92 3.93 2.98 0.00 -1.26 -5.17 105.19 106.60 1s6d n GLY 3 Ca 0.00 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 1s6d n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6d s ARG 4 N -2.05 1.70 -0.30 1.61 3.00 -1.26 -5.06 118.95 116.59 1s6d s ARG 4 Ca 0.15 -0.36 -0.05 0.00 0.00 0.00 0.00 55.73 55.48 1s6d s ARG 4 Cb -0.03 -2.08 0.18 0.00 0.00 0.00 0.00 34.95 33.03 1s6d s ARG 4 CO 0.06 -1.61 0.71 0.20 0.00 0.00 0.00 175.30 174.66 1s6d s GLY 5 N -4.65 -0.82 1.50 -3.53 0.00 -1.26 -4.99 107.32 93.57 1s6d s GLY 5 Ca 0.65 2.12 -0.25 0.00 0.00 0.00 0.00 44.72 47.24 1s6d s GLY 5 CO 0.47 3.45 0.88 -0.96 0.00 0.00 0.00 173.10 176.95 1s6d n ARG 6 N 5.43 -4.96 -3.57 2.90 1.85 -1.26 -4.40 116.66 112.65 1s6d n ARG 6 Ca -0.03 -1.48 -0.06 0.00 -1.00 0.00 0.00 57.85 55.28 1s6d n ARG 6 Cb 0.52 -1.93 -0.02 0.00 -1.05 0.00 0.00 32.46 29.98 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 -2.12 0.00 1.18 8.89 -1.32 -1.26 -4.84 115.64 116.17 1s6d s THR 7 Ca 0.68 -0.09 -0.19 0.00 -1.21 0.00 0.00 61.69 60.88 1s6d s THR 7 Cb -0.12 -1.18 0.28 0.00 -1.51 0.00 0.00 72.50 69.97 1s6d s THR 7 CO 0.57 0.00 1.15 -1.61 -2.21 0.00 0.00 174.62 172.52 1s6d s GLU 8 N -2.83 -1.06 0.53 7.08 2.02 -1.26 -5.03 118.70 118.14 1s6d s GLU 8 Ca 0.08 -0.17 -0.08 0.00 0.02 0.00 0.00 54.97 54.82 1s6d s GLU 8 Cb -0.01 -1.62 0.13 0.00 0.10 0.00 0.00 34.13 32.73 1s6d s GLU 8 CO -0.06 -3.59 0.29 -1.13 0.02 0.00 0.00 175.26 170.79 1s6d n SER 9 N -4.65 -2.49 0.00 -0.19 3.41 -1.26 -4.41 113.62 104.03 1s6d n SER 9 Ca 0.14 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1s6d n SER 9 Cb 0.60 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.67 2.11 0.06 5.00 0.00 -1.26 -4.61 105.19 104.82 1s6d n GLY 10 Ca 0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.15 -0.02 -0.98 0.00 3.20 -1.82 0.95 116.97 118.17 1s6d h TYR 12 Ca -0.01 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1s6d h TYR 12 Cb 0.12 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 1s6d h TYR 12 CO 0.10 -0.31 0.65 0.37 -1.64 0.00 0.00 178.16 177.33 1s6d h GLN 13 N 0.08 1.27 0.00 1.82 5.75 -1.84 -0.98 115.11 121.21 1s6d h GLN 13 Ca 0.50 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.90 1s6d h GLN 13 Cb 0.94 -0.29 -0.00 0.00 1.07 0.00 0.00 27.48 29.20 1s6d h GLN 13 CO -0.77 0.84 -0.08 -0.56 -2.65 0.00 0.00 178.83 175.62 1s6d h GLN 14 N 1.31 0.00 0.00 1.69 3.07 0.15 -3.31 115.11 118.02 1s6d h GLN 14 Ca 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.10 1s6d h GLN 14 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.43 1s6d h GLN 14 CO -0.09 0.08 -0.00 1.98 0.09 0.00 0.00 178.83 180.89 1s6d h MET 15 N 0.00 -0.00 -0.75 0.06 4.05 0.46 -1.86 114.93 116.90 1s6d h MET 15 Ca -0.00 0.00 0.18 0.00 -0.28 0.00 0.00 59.70 59.60 1s6d h MET 15 Cb 0.70 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.45 1s6d h MET 15 CO 0.01 0.34 0.52 1.05 0.23 0.00 0.00 176.91 179.06 1s6d h GLU 16 N -0.34 0.20 0.00 0.39 4.11 -1.57 0.40 114.58 117.78 1s6d h GLU 16 Ca -0.00 -0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.29 1s6d h GLU 16 Cb 0.34 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1s6d h GLU 16 CO 0.00 0.13 -0.62 1.49 0.07 0.00 0.00 179.01 180.08 1s6d h GLU 17 N 0.21 0.00 -1.44 1.06 4.81 -1.63 -3.30 114.58 114.29 1s6d h GLU 17 Ca 0.37 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 59.08 1s6d h GLU 17 Cb 1.14 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.10 1s6d h GLU 17 CO -0.07 0.62 -0.89 0.00 -0.73 0.00 0.00 179.01 177.94 1s6d n ALA 18 N -2.35 4.40 -1.46 2.92 0.00 -0.02 -5.05 120.51 118.95 1s6d n ALA 18 Ca -0.00 -3.95 -0.18 0.00 0.00 0.00 0.00 53.44 49.30 1s6d n ALA 18 Cb 0.67 -0.70 -0.18 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.30 0.09 0.13 0.00 0.28 0.12 -4.68 120.64 116.28 1s6d n GLU 19 Ca 0.28 -0.16 0.02 0.00 -0.16 0.00 0.00 57.16 57.14 1s6d n GLU 19 Cb 0.69 -1.47 0.01 0.00 1.43 0.00 0.00 31.44 32.10 1s6d n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1s6d h MET 20 N 11.09 0.00 0.00 3.44 -0.00 -1.94 -2.40 114.93 125.12 1s6d h MET 20 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 1s6d h MET 20 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.70 1s6d h MET 20 CO 1.46 0.49 0.00 -0.11 -0.00 0.00 0.00 176.91 178.75 1s6d n LEU 21 N -3.19 0.00 0.00 -0.10 0.00 -1.26 -2.58 117.00 109.87 1s6d n LEU 21 Ca 0.01 0.05 0.11 0.00 0.00 0.00 0.00 56.01 56.18 1s6d n LEU 21 Cb 0.75 -0.05 0.65 0.00 0.00 0.00 0.00 43.42 44.76 1s6d n LEU 21 CO 0.41 -0.01 0.86 -3.20 0.00 0.00 0.00 177.39 175.46 1s6d n ASN 22 N -1.05 0.00 0.07 1.96 2.85 -0.90 -1.40 115.26 116.78 1s6d n ASN 22 Ca 0.20 -0.97 0.00 0.00 -0.11 0.00 0.00 54.58 53.70 1s6d n ASN 22 Cb 0.12 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.14 1s6d n ASN 22 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1s6d n HIS 23 N -0.91 -0.86 0.31 1.20 -0.00 -1.06 -4.24 115.22 109.64 1s6d n HIS 23 Ca 0.16 0.15 0.17 0.00 -0.00 0.00 0.00 57.72 58.20 1s6d n HIS 23 Cb 0.07 0.23 0.71 0.00 -0.00 0.00 0.00 29.99 31.00 1s6d n HIS 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1s6d h GLY 25 N 1.79 0.00 0.12 0.00 0.00 -1.47 -3.33 103.07 100.19 1s6d h GLY 25 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.54 1s6d h GLY 25 CO 0.00 0.00 0.62 1.98 0.00 0.00 0.00 176.54 179.14 1s6d h MET 26 N -1.00 0.55 -0.99 4.80 -1.53 -1.59 0.62 114.93 115.79 1s6d h MET 26 Ca -0.21 -0.03 0.08 0.00 -3.44 0.00 0.00 59.70 56.10 1s6d h MET 26 Cb 1.10 -0.12 -0.07 0.00 -0.55 0.00 0.00 31.60 31.95 1s6d h MET 26 CO -0.13 0.37 0.63 -0.92 0.14 0.00 0.00 176.91 177.00 1s6d h TYR 27 N 0.57 1.16 0.00 1.39 3.20 -1.69 0.40 116.97 122.00 1s6d h TYR 27 Ca 0.55 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 62.23 1s6d h TYR 27 Cb 1.12 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.98 1s6d h TYR 27 CO -0.00 0.56 -1.34 -0.07 -1.64 0.00 0.00 178.16 175.67 1s6d h LEU 28 N 1.10 0.00 -0.81 2.82 3.38 -0.74 -3.29 115.31 117.77 1s6d h LEU 28 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1s6d h LEU 28 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1s6d h LEU 28 CO -0.20 0.82 0.00 0.80 0.09 0.00 0.00 178.44 179.95 1s6d n MET 29 N -3.08 1.55 0.06 1.13 1.56 0.18 -3.83 117.12 114.69 1s6d n MET 29 Ca -0.09 -0.81 -0.06 0.00 -0.27 0.00 0.00 57.70 56.48 1s6d n MET 29 Cb 0.93 -1.47 -0.10 0.00 2.15 0.00 0.00 33.22 34.73 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 1.93 0.00 0.00 2.12 1.57 -0.28 -3.06 116.57 118.86 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 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1s6d h LYS 30 CO 0.00 0.82 -0.96 0.09 -0.57 0.00 0.00 179.45 178.83 1s6d n ASN 31 N -3.26 0.68 0.17 0.86 4.13 -1.25 -4.14 115.26 112.44 1s6d n ASN 31 Ca -0.03 -0.46 0.13 0.00 1.68 0.00 0.00 54.58 55.91 1s6d n ASN 31 Cb 0.92 0.81 0.41 0.00 -1.54 0.00 0.00 39.78 40.38 1s6d n ASN 31 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1s6d h LEU 32 N 0.00 0.00 -8.13 3.41 3.38 -1.64 -3.41 115.31 108.92 1s6d h LEU 32 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1s6d h LEU 32 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1s6d h LEU 32 CO 0.00 0.00 0.43 -0.83 0.09 0.00 0.00 178.44 178.13 1s6d s GLY 33 N -3.85 -0.52 -0.82 0.83 0.00 -1.18 -4.87 107.32 96.91 1s6d s GLY 33 Ca 0.07 -1.53 -0.26 0.00 0.00 0.00 0.00 44.72 42.99 1s6d s GLY 33 CO 0.57 3.96 2.36 1.85 0.00 0.00 0.00 173.10 181.84 1s6d s GLU 34 N 7.79 1.61 -0.07 2.90 2.12 -1.26 -4.63 118.70 127.16 1s6d s GLU 34 Ca 0.78 0.38 0.11 0.00 0.36 0.00 0.00 54.97 56.60 1s6d s GLU 34 Cb -0.06 -4.81 0.18 0.00 0.26 0.00 0.00 34.13 29.70 1s6d s GLU 34 CO 0.12 -4.48 1.09 -2.13 -0.54 0.00 0.00 175.26 169.32 1s6d n ARG 35 N 8.78 0.67 -1.66 4.30 0.63 -1.26 -5.07 116.66 123.04 1s6d n ARG 35 Ca 0.46 -1.91 -0.02 0.00 -0.92 0.00 0.00 57.85 55.46 1s6d n ARG 35 Cb 0.44 -0.99 0.01 0.00 0.45 0.00 0.00 32.46 32.36 1s6d n ARG 35 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1s6d n SER 36 N -0.68 -0.47 -1.94 6.15 2.88 -1.26 -5.06 113.62 113.23 1s6d n SER 36 Ca 0.09 -1.31 -0.01 0.00 -1.33 0.00 0.00 58.87 56.30 1s6d n SER 36 Cb 0.70 0.78 0.06 0.00 -0.75 0.00 0.00 64.21 65.00 1s6d n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6d n GLN 37 N -0.12 1.37 -4.83 -1.46 10.64 -1.26 -5.06 117.38 116.65 1s6d n GLN 37 Ca -0.02 -3.04 -0.25 0.00 -1.83 0.00 0.00 57.00 51.86 1s6d n GLN 37 Cb 0.13 -1.14 -0.15 0.00 -0.86 0.00 0.00 30.24 28.22 1s6d n GLN 37 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1s6d s VAL 38 N -2.49 1.38 -0.76 -0.39 0.11 -1.26 -5.09 120.40 111.89 1s6d s VAL 38 Ca 0.34 -0.73 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1s6d s VAL 38 Cb 0.36 -1.15 0.18 0.00 -1.53 0.00 0.00 36.38 34.25 1s6d s VAL 38 CO -0.08 0.39 0.58 -0.55 -3.33 0.00 0.00 175.10 172.11 1s6d s SER 39 N -0.32 5.18 0.70 3.54 0.15 -1.26 -5.09 113.70 116.60 1s6d s SER 39 Ca 0.05 -3.81 0.00 0.00 0.70 0.00 0.00 55.95 52.89 1s6d s SER 39 Cb -0.08 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1s6d s SER 39 CO -0.00 -0.12 0.00 -0.81 1.20 0.00 0.00 173.24 173.51 1s6d n PRO 40 N 2.09 -0.22 -3.23 5.44 -0.04 -1.26 -5.09 135.00 132.70 1s6d n PRO 40 Ca 0.20 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.64 1s6d n PRO 40 Cb 0.36 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.79 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 -2.09 0.80 0.41 0.54 3.52 -1.26 -5.16 118.95 115.70 1s6d s ARG 41 Ca 0.00 -0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.28 1s6d s ARG 41 Cb 0.00 -0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.29 1s6d s ARG 41 CO 0.00 -1.19 0.03 -1.64 -0.81 0.00 0.00 175.30 171.68 1s6d s MET 42 N 1.77 1.92 -0.08 5.12 -1.94 -1.26 -5.14 119.30 119.69 1s6d s MET 42 Ca 0.16 -2.11 0.02 0.00 -1.71 0.00 0.00 55.69 52.05 1s6d s MET 42 Cb -0.06 -1.38 0.02 0.00 2.01 0.00 0.00 34.83 35.42 1s6d s MET 42 CO -0.06 -0.15 -0.12 1.03 -0.01 0.00 0.00 175.02 175.71 1s6d s ARG 43 N -3.78 1.71 -0.29 2.03 0.52 -1.26 -5.12 118.95 112.77 1s6d s ARG 43 Ca 0.30 -0.39 -0.21 0.00 -0.52 0.00 0.00 55.73 54.91 1s6d s ARG 43 Cb 0.08 -1.49 0.14 0.00 0.52 0.00 0.00 34.95 34.20 1s6d s ARG 43 CO 0.15 -0.04 1.03 -1.21 0.02 0.00 0.00 175.30 175.25 1s6d s GLU 44 N 0.90 0.41 -0.01 3.54 2.02 -1.26 -5.18 118.70 119.13 1s6d s GLU 44 Ca -0.10 0.60 0.05 0.00 0.02 0.00 0.00 54.97 55.53 1s6d s GLU 44 Cb -0.15 0.15 -0.01 0.00 0.10 0.00 0.00 34.13 34.22 1s6d s GLU 44 CO 0.01 -0.07 -0.15 -1.83 0.02 0.00 0.00 175.26 173.24 1s6d s GLU 45 N 0.76 1.22 0.00 1.61 -1.05 -1.26 -5.02 118.70 114.97 1s6d s GLU 45 Ca -0.03 -0.55 0.00 0.00 -0.15 0.00 0.00 54.97 54.25 1s6d s GLU 45 Cb -0.04 -1.18 0.00 0.00 -0.44 0.00 0.00 34.13 32.46 1s6d s GLU 45 CO -0.11 0.32 0.46 -3.47 0.95 0.00 0.00 175.26 173.42 1s6d n ASP 46 N 2.69 0.00 -3.69 0.83 2.03 -1.26 -5.10 116.55 112.04 1s6d n ASP 46 Ca -0.14 -1.12 -0.11 0.00 0.52 0.00 0.00 54.79 53.94 1s6d n ASP 46 Cb 0.55 -0.02 -0.11 0.00 -0.72 0.00 0.00 41.12 40.81 1s6d n ASP 46 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1s6d s HIS 47 N 0.00 -0.57 0.00 -0.67 3.76 -1.26 -4.98 115.29 111.57 1s6d s HIS 47 Ca 0.00 1.21 0.00 0.00 -0.15 0.00 0.00 55.06 56.12 1s6d s HIS 47 Cb 0.00 0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.90 1s6d s HIS 47 CO 0.00 -0.35 0.00 1.63 -0.85 0.00 0.00 174.74 175.17 1s6d n LYS 48 N 4.54 0.00 -0.34 1.40 5.02 -1.26 -4.82 118.16 122.70 1s6d n LYS 48 Ca -0.20 0.00 0.23 0.00 -2.02 0.00 0.00 58.31 56.32 1s6d n LYS 48 Cb 0.53 0.00 0.47 0.00 -0.02 0.00 0.00 35.03 36.01 1s6d n LYS 48 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1s6d h GLN 49 N 0.00 0.37 0.45 1.97 4.20 -1.97 0.25 115.11 120.38 1s6d h GLN 49 Ca 0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1s6d h GLN 49 Cb 0.00 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1s6d h GLN 49 CO 0.00 0.24 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.12 1s6d h LEU 50 N 0.38 -0.52 -1.10 1.46 4.07 -1.97 0.35 115.31 117.98 1s6d h LEU 50 Ca 0.70 -0.09 0.13 0.00 0.08 0.00 0.00 57.88 58.71 1s6d h LEU 50 Cb 1.61 0.13 -0.08 0.00 1.08 0.00 0.00 40.66 43.41 1s6d h LEU 50 CO -0.53 -0.17 0.61 0.00 -1.08 0.00 0.00 178.44 177.28 1s6d h MET 53 N 0.30 -0.41 -0.82 0.00 -1.53 0.12 -0.55 114.93 112.05 1s6d h MET 53 Ca 0.06 0.03 0.21 0.00 -3.44 0.00 0.00 59.70 56.56 1s6d h MET 53 Cb 0.38 0.09 -0.05 0.00 -0.55 0.00 0.00 31.60 31.48 1s6d h MET 53 CO 0.02 -0.27 0.56 0.37 0.14 0.00 0.00 176.91 177.73 1s6d h GLN 54 N -0.74 0.19 -0.21 0.39 5.75 -1.08 0.46 115.11 119.87 1s6d h GLN 54 Ca -0.04 -0.01 -0.20 0.00 -0.15 0.00 0.00 58.65 58.25 1s6d h GLN 54 Cb 0.32 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.83 1s6d h GLN 54 CO 0.07 0.13 -0.65 -0.07 -2.65 0.00 0.00 178.83 175.66 1s6d h LEU 55 N 0.20 0.88 -1.45 -2.39 -0.00 -1.38 -1.13 115.31 110.04 1s6d h LEU 55 Ca 0.40 -0.52 0.04 0.00 -0.00 0.00 0.00 57.88 57.81 1s6d h LEU 55 Cb 1.29 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 41.66 1s6d h LEU 55 CO -0.08 1.30 0.41 0.50 -0.00 0.00 0.00 178.44 180.57 1s6d h LYS 56 N 0.56 0.69 0.00 1.13 1.63 0.73 -1.54 116.57 119.76 1s6d h LYS 56 Ca -0.01 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 1s6d h LYS 56 Cb 1.25 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.72 1s6d h LYS 56 CO 0.13 0.45 -0.20 -0.91 -3.45 0.00 0.00 179.45 175.48 1s6d h ASN 57 N 0.71 0.00 -2.17 4.20 2.35 -0.73 -3.45 115.58 116.49 1s6d h ASN 57 Ca 0.25 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.87 1s6d h ASN 57 Cb 0.12 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.55 1s6d h ASN 57 CO -0.07 0.20 0.05 0.18 -1.65 0.00 0.00 177.43 176.14 1s6d n LEU 58 N -3.35 0.00 -4.88 1.61 4.77 -0.47 -5.05 117.00 109.63 1s6d n LEU 58 Ca 0.00 -0.39 -0.35 0.00 -0.03 0.00 0.00 56.01 55.25 1s6d n LEU 58 Cb 0.43 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1s6d n LEU 58 CO 0.33 -1.31 -0.04 -1.81 -1.33 0.00 0.00 177.39 173.24 1s6d s ASP 59 N -2.48 6.52 0.61 -1.43 1.11 -1.26 -4.96 116.67 114.78 1s6d s ASP 59 Ca 0.23 0.60 0.39 0.00 0.18 0.00 0.00 52.55 53.96 1s6d s ASP 59 Cb -0.02 -2.11 1.96 0.00 1.07 0.00 0.00 42.92 43.83 1s6d s ASP 59 CO 0.18 0.24 2.21 -0.08 1.18 0.00 0.00 175.17 178.90 1s6d h GLU 60 N 3.97 0.00 0.00 8.23 4.57 -1.94 0.19 114.58 129.60 1s6d h GLU 60 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1s6d h GLU 60 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1s6d h GLU 60 CO 0.66 0.01 -0.78 1.57 -1.18 0.00 0.00 179.01 179.29 1s6d h LYS 61 N 0.00 0.00 -0.57 1.92 5.09 -1.95 -3.27 116.57 117.78 1s6d h LYS 61 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1s6d h LYS 61 Cb 0.21 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.54 1s6d h LYS 61 CO 0.00 0.00 0.00 0.00 -2.09 0.00 0.00 179.45 177.36 1s6d n MET 63 N 1.07 4.31 0.00 0.00 2.81 -0.65 -3.48 117.12 121.18 1s6d n MET 63 Ca 0.19 -4.63 0.00 0.00 -1.81 0.00 0.00 57.70 51.45 1s6d n MET 63 Cb 0.52 -2.44 0.00 0.00 -0.71 0.00 0.00 33.22 30.60 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 0.35 -0.22 0.00 0.13 -1.78 -3.17 132.00 127.32 1s6d h PRO 65 Ca 0.00 -0.32 -0.10 0.00 -0.87 0.00 0.00 66.00 64.71 1s6d h PRO 65 Cb 0.00 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 1s6d h PRO 65 CO 0.00 0.98 -0.24 0.00 -0.23 0.00 0.00 178.00 178.51 1s6d h ALA 66 N 0.92 0.32 -0.96 -0.56 0.00 -1.83 -3.26 119.26 113.89 1s6d h ALA 66 Ca -0.04 -0.38 0.16 0.00 0.00 0.00 0.00 54.91 54.66 1s6d h ALA 66 Cb 1.39 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 1s6d h ALA 66 CO 0.13 0.29 -0.32 -0.89 0.00 0.00 0.00 179.25 178.46 1s6d n ILE 67 N -4.39 -0.47 -0.27 0.00 2.08 -1.20 0.14 119.36 115.26 1s6d n ILE 67 Ca -0.05 2.23 -0.11 0.00 0.56 0.00 0.00 62.75 65.38 1s6d n ILE 67 Cb 0.43 -3.00 -0.09 0.00 -0.75 0.00 0.00 39.64 36.23 1s6d n ILE 67 CO 0.00 0.00 0.00 -0.03 0.56 0.00 0.00 176.55 177.08 1s6d h MET 68 N 0.00 -0.14 -0.32 0.38 1.85 -1.65 -0.67 114.93 114.37 1s6d h MET 68 Ca 0.38 0.01 0.09 0.00 -0.61 0.00 0.00 59.70 59.57 1s6d h MET 68 Cb 0.62 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.67 1s6d h MET 68 CO -0.97 -0.09 0.25 0.52 -0.40 0.00 0.00 176.91 176.22 1s6d h MET 69 N -0.15 0.00 -0.86 0.39 2.86 -0.44 -1.02 114.93 115.71 1s6d h MET 69 Ca 0.11 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.88 1s6d h MET 69 Cb 0.43 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.03 1s6d h MET 69 CO -0.71 0.00 0.56 0.00 1.06 0.00 0.00 176.91 177.82 1s6d h MET 70 N 0.00 0.69 -0.62 1.72 3.00 0.46 0.82 114.93 121.00 1s6d h MET 70 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 59.70 59.81 1s6d h MET 70 Cb 0.65 -0.16 0.00 0.00 0.00 0.00 0.00 31.60 32.09 1s6d h MET 70 CO -0.00 0.46 0.00 1.28 0.00 0.00 0.00 176.91 178.65 1s6d n LEU 71 N -4.54 3.76 -0.12 -0.10 4.77 -0.39 -3.65 117.00 116.73 1s6d n LEU 71 Ca 0.16 -1.90 0.02 0.00 -0.03 0.00 0.00 56.01 54.26 1s6d n LEU 71 Cb 0.41 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 41.01 1s6d n LEU 71 CO 0.30 0.65 0.21 0.59 -1.33 0.00 0.00 177.39 177.82 1s6d n ASN 72 N 0.83 0.98 -3.91 -1.43 5.03 0.20 -4.35 115.26 112.62 1s6d n ASN 72 Ca 0.20 -0.99 -0.30 0.00 0.87 0.00 0.00 54.58 54.36 1s6d n ASN 72 Cb 0.71 0.33 0.27 0.00 -1.02 0.00 0.00 39.78 40.06 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 -0.69 -1.96 0.00 3.52 2.02 -0.70 -4.82 118.70 116.07 1s6d s GLU 73 Ca 0.04 0.37 -0.00 0.00 0.02 0.00 0.00 54.97 55.40 1s6d s GLU 73 Cb 0.03 -1.47 -0.00 0.00 0.10 0.00 0.00 34.13 32.79 1s6d s GLU 73 CO 0.09 -4.29 1.10 -0.35 0.02 0.00 0.00 175.26 171.83 1s6d n PRO 74 N -5.25 0.55 -0.64 0.39 -0.04 -1.26 -2.42 135.00 126.33 1s6d n PRO 74 Ca 0.09 -0.01 -0.03 0.00 -0.04 0.00 0.00 63.50 63.51 1s6d n PRO 74 Cb 0.58 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 1s6d n PRO 74 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1s6d n MET 75 N 1.75 0.00 -3.23 0.54 2.81 -1.26 -5.08 117.12 112.65 1s6d n MET 75 Ca 0.01 -0.40 -0.02 0.00 -1.81 0.00 0.00 57.70 55.47 1s6d n MET 75 Cb 0.27 0.34 -0.02 0.00 -0.71 0.00 0.00 33.22 33.11 1s6d n MET 75 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1s6d s TRP 76 N 0.00 -1.46 0.00 2.03 0.52 -1.02 -4.89 118.94 114.13 1s6d s TRP 76 Ca 0.00 0.21 0.00 0.00 0.02 0.00 0.00 56.10 56.33 1s6d s TRP 76 Cb 0.00 0.16 0.00 0.00 -1.15 0.00 0.00 33.47 32.48 1s6d s TRP 76 CO 0.00 -1.12 0.00 -0.89 0.02 0.00 0.00 176.95 174.96 1s6d n ILE 77 N 4.61 0.00 0.50 2.03 -0.00 -1.26 -3.82 119.36 121.42 1s6d n ILE 77 Ca 0.09 0.00 0.06 0.00 -0.00 0.00 0.00 62.75 62.90 1s6d n ILE 77 Cb 0.54 0.00 0.19 0.00 -0.00 0.00 0.00 39.64 40.37 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 0.00 2.28 -0.02 0.38 1.85 -1.26 -3.76 116.66 116.13 1s6d n ARG 78 Ca 0.00 -1.53 -0.02 0.00 -1.00 0.00 0.00 57.85 55.29 1s6d n ARG 78 Cb 0.00 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 29.90 1s6d n ARG 78 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s6d n MET 79 N 0.59 2.10 0.08 2.89 0.00 -1.26 -4.50 117.12 117.02 1s6d n MET 79 Ca 0.14 0.01 0.08 0.00 0.00 0.00 0.00 57.70 57.93 1s6d n MET 79 Cb 0.46 -1.09 0.37 0.00 0.00 0.00 0.00 33.22 32.96 1s6d n MET 79 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 1s6d n ARG 80 N -2.33 0.10 0.02 3.17 1.85 -1.25 -2.84 116.66 115.37 1s6d n ARG 80 Ca -0.07 0.46 0.21 0.00 -1.00 0.00 0.00 57.85 57.46 1s6d n ARG 80 Cb 0.61 -1.74 0.58 0.00 -1.05 0.00 0.00 32.46 30.86 1s6d n ARG 80 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1s6d h ASP 81 N 0.00 0.00 0.00 2.89 1.82 -1.79 0.33 116.42 119.67 1s6d h ASP 81 Ca 0.00 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.50 1s6d h ASP 81 Cb 0.16 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.14 1s6d h ASP 81 CO 0.00 0.00 -1.95 0.00 -1.61 0.00 0.00 179.24 175.68 1s6d n GLN 82 N -3.34 0.92 -0.05 0.28 6.02 -1.13 -4.36 117.38 115.72 1s6d n GLN 82 Ca 0.12 -0.09 0.11 0.00 -0.01 0.00 0.00 57.00 57.13 1s6d n GLN 82 Cb 0.98 -1.42 0.44 0.00 1.02 0.00 0.00 30.24 31.27 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 -2.34 0.14 -0.08 5.09 0.24 0.16 -3.82 118.33 117.72 1s6d n VAL 83 Ca -0.14 -0.27 -0.23 0.00 -2.04 0.00 0.00 64.34 61.66 1s6d n VAL 83 Cb 0.73 0.28 -0.12 0.00 -1.47 0.00 0.00 33.84 33.25 1s6d n VAL 83 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 1s6d n MET 84 N 0.10 0.64 -0.08 7.34 0.00 0.94 -1.75 117.12 124.31 1s6d n MET 84 Ca 0.17 0.39 0.06 0.00 0.00 0.00 0.00 57.70 58.31 1s6d n MET 84 Cb 0.29 -1.68 0.23 0.00 0.00 0.00 0.00 33.22 32.06 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 -3.98 1.07 -0.02 3.17 2.88 -1.25 -3.02 113.62 112.46 1s6d n SER 85 Ca -0.37 -1.84 -0.02 0.00 -1.33 0.00 0.00 58.87 55.31 1s6d n SER 85 Cb 0.86 -0.11 -0.02 0.00 -0.75 0.00 0.00 64.21 64.20 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 0.02 0.13 -0.34 -1.46 2.00 -1.25 -4.52 117.12 111.69 1s6d n MET 86 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.83 1s6d n MET 86 Cb 0.19 -1.07 0.13 0.00 0.00 0.00 0.00 33.22 32.47 1s6d n MET 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s6d n ALA 87 N -2.60 3.11 -0.02 3.04 0.00 -0.72 -2.76 120.51 120.57 1s6d n ALA 87 Ca -0.06 -0.75 0.09 0.00 0.00 0.00 0.00 53.44 52.71 1s6d n ALA 87 Cb 0.57 -1.07 -0.16 0.00 0.00 0.00 0.00 19.45 18.79 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 0.17 0.00 -0.02 0.00 1.44 -1.17 -4.31 115.22 111.33 1s6d n HIS 88 Ca 0.12 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.86 1s6d n HIS 88 Cb 0.65 -0.52 -0.09 0.00 0.12 0.00 0.00 29.99 30.15 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 -2.27 2.25 0.10 4.39 5.03 -1.20 -3.92 115.26 119.64 1s6d n ASN 89 Ca -0.06 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.26 1s6d n ASN 89 Cb 0.60 1.31 -0.08 0.00 -1.02 0.00 0.00 39.78 40.59 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 -0.15 -0.55 3.41 3.38 -1.75 0.42 115.31 120.08 1s6d h LEU 90 Ca -0.09 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 1s6d h LEU 90 Cb 0.90 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1s6d h LEU 90 CO 0.01 -0.06 -0.67 1.55 0.09 0.00 0.00 178.44 179.35 1s6d h PRO 91 N -0.22 0.00 -0.15 1.13 0.13 -1.81 -2.85 132.00 128.23 1s6d h PRO 91 Ca -0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.00 1s6d h PRO 91 Cb 0.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1s6d h PRO 91 CO 0.03 0.67 -0.35 0.82 -0.23 0.00 0.00 178.00 178.94 1s6d h ILE 92 N 0.00 1.36 0.00 -3.56 2.04 -1.65 0.43 117.51 116.13 1s6d h ILE 92 Ca -0.01 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1s6d h ILE 92 Cb 1.25 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1s6d h ILE 92 CO 0.09 0.49 0.00 -0.33 0.00 0.00 0.00 178.15 178.39 1s6d h GLU 93 N 0.12 0.00 -0.00 2.37 5.08 -0.21 0.77 114.58 122.72 1s6d h GLU 93 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s6d h GLU 93 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1s6d h GLU 93 CO 0.08 0.00 -0.31 0.00 -1.00 0.00 0.00 179.01 177.78 1s6d n ASN 95 N -1.37 -2.05 -0.02 0.00 4.05 0.26 -4.98 115.26 111.15 1s6d n ASN 95 Ca 0.07 0.00 -0.00 0.00 0.45 0.00 0.00 54.58 55.11 1s6d n ASN 95 Cb 0.33 -0.56 -0.00 0.00 1.23 0.00 0.00 39.78 40.78 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 -3.26 1.20 3.38 -0.32 -3.40 115.31 112.91 1s6d h LEU 96 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1s6d h LEU 96 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1s6d h LEU 96 CO 0.01 0.24 -0.00 1.15 0.09 0.00 0.00 178.44 179.92 1s6d n MET 97 N -3.28 2.66 0.00 1.13 0.00 -1.01 -4.59 117.12 112.03 1s6d n MET 97 Ca -0.00 -2.88 0.00 0.00 0.00 0.00 0.00 57.70 54.82 1s6d n MET 97 Cb 0.01 -1.83 0.00 0.00 0.00 0.00 0.00 33.22 31.40 1s6d n MET 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1s6d n SER 98 N -0.66 0.00 -2.74 3.17 3.41 -1.26 -4.17 113.62 111.37 1s6d n SER 98 Ca 0.23 0.77 -0.09 0.00 -0.26 0.00 0.00 58.87 59.52 1s6d n SER 98 Cb 0.91 -0.38 0.09 0.00 -0.26 0.00 0.00 64.21 64.56 1s6d n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s6d n GLN 99 N -2.76 1.12 0.03 4.33 10.64 -1.26 -4.11 117.38 125.38 1s6d n GLN 99 Ca 0.00 -2.16 -0.03 0.00 -1.83 0.00 0.00 57.00 52.98 1s6d n GLN 99 Cb 0.00 -0.61 -0.01 0.00 -0.86 0.00 0.00 30.24 28.76 1s6d n GLN 99 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1s6d h PRO 100 N 2.49 -0.18 -6.37 2.61 0.13 -1.87 -3.43 132.00 125.38 1s6d h PRO 100 Ca -0.18 0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.40 1s6d h PRO 100 Cb 1.20 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 1s6d h PRO 100 CO 0.11 -0.12 0.97 0.00 -0.23 0.00 0.00 178.00 178.73 1s6d s GLN 102 N 4.22 2.14 0.00 0.00 -0.21 -1.26 -4.42 119.66 120.12 1s6d s GLN 102 Ca 0.56 -2.36 0.26 0.00 0.02 0.00 0.00 55.36 53.84 1s6d s GLN 102 Cb -0.16 -1.15 0.58 0.00 1.00 0.00 0.00 33.01 33.28 1s6d s GLN 102 CO 0.24 -0.45 1.48 -0.12 -2.12 0.00 0.00 175.29 174.32