#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 -0.31 -4.08 0.54 4.11 -1.26 -4.98 117.16 111.18 1s6d n TYR 2 Ca 0.00 -0.36 -0.05 0.00 -0.00 0.00 0.00 57.90 57.49 1s6d n TYR 2 Cb 0.00 0.06 -0.02 0.00 -0.00 0.00 0.00 39.34 39.38 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 -0.08 3.76 2.91 -7.48 0.00 -1.25 -4.91 105.19 98.14 1s6d n GLY 3 Ca 0.01 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.35 1.53 -0.30 1.61 6.06 -1.26 -4.98 118.95 119.26 1s6d s ARG 4 Ca 0.10 -0.63 0.06 0.00 -2.50 0.00 0.00 55.73 52.75 1s6d s ARG 4 Cb 0.00 -2.16 0.19 0.00 0.06 0.00 0.00 34.95 33.05 1s6d s ARG 4 CO 0.07 -0.46 0.57 0.20 -2.50 0.00 0.00 175.30 173.18 1s6d s GLY 5 N 1.57 -1.18 0.38 8.12 0.00 -1.26 -4.73 107.32 110.22 1s6d s GLY 5 Ca -0.01 0.87 -0.02 0.00 0.00 0.00 0.00 44.72 45.57 1s6d s GLY 5 CO -0.08 3.61 0.62 0.50 0.00 0.00 0.00 173.10 177.75 1s6d s ARG 6 N 2.69 3.52 -0.24 2.90 0.52 -1.26 -4.83 118.95 122.25 1s6d s ARG 6 Ca 0.11 -0.14 -0.36 0.00 -0.52 0.00 0.00 55.73 54.82 1s6d s ARG 6 Cb -0.10 -2.57 0.15 0.00 0.52 0.00 0.00 34.95 32.95 1s6d s ARG 6 CO -0.24 0.05 1.29 -0.08 0.02 0.00 0.00 175.30 176.34 1s6d s THR 7 N -2.42 0.00 1.26 0.02 -1.32 -1.26 -5.17 115.64 106.74 1s6d s THR 7 Ca 0.43 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.75 1s6d s THR 7 Cb -0.10 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.21 1s6d s THR 7 CO 0.38 0.00 0.99 -1.61 -2.21 0.00 0.00 174.62 172.17 1s6d s GLU 8 N -2.03 -1.65 0.19 7.08 2.02 -1.26 -4.89 118.70 118.17 1s6d s GLU 8 Ca 0.10 0.63 -0.33 0.00 0.02 0.00 0.00 54.97 55.40 1s6d s GLU 8 Cb -0.01 -1.48 -0.13 0.00 0.10 0.00 0.00 34.13 32.60 1s6d s GLU 8 CO -0.04 -4.15 1.58 0.43 0.02 0.00 0.00 175.26 173.09 1s6d n SER 9 N -5.19 3.26 0.00 -0.19 7.64 -1.26 -4.76 113.62 113.11 1s6d n SER 9 Ca 0.05 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1s6d n SER 9 Cb 0.56 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 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 3.20 -0.67 0.28 0.23 0.00 -1.26 -4.93 105.19 102.03 1s6d n GLY 10 Ca 0.15 0.55 0.05 0.00 0.00 0.00 0.00 46.02 46.77 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 0.09 -0.84 -0.89 0.00 3.20 -1.91 0.45 116.97 117.06 1s6d h TYR 12 Ca 0.41 0.08 0.02 0.00 3.14 0.00 0.00 58.73 62.39 1s6d h TYR 12 Cb 0.73 0.49 -0.05 0.00 1.54 0.00 0.00 36.73 39.44 1s6d h TYR 12 CO -0.45 -0.38 0.59 0.37 -1.64 0.00 0.00 178.16 176.65 1s6d h GLN 13 N -0.06 1.13 0.00 1.82 5.75 -0.79 0.43 115.11 123.39 1s6d h GLN 13 Ca 0.32 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 1s6d h GLN 13 Cb 0.59 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.88 1s6d h GLN 13 CO -0.84 0.75 0.00 1.04 -2.65 0.00 0.00 178.83 177.12 1s6d n GLN 14 N -4.42 0.23 0.03 1.69 6.02 0.85 -3.73 117.38 118.05 1s6d n GLN 14 Ca 0.11 0.33 -0.06 0.00 -0.01 0.00 0.00 57.00 57.38 1s6d n GLN 14 Cb 0.06 -1.85 -0.04 0.00 1.02 0.00 0.00 30.24 29.44 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 -0.18 -1.01 -1.09 4.05 0.19 -2.79 114.93 114.11 1s6d h MET 15 Ca 0.00 0.01 0.23 0.00 -0.28 0.00 0.00 59.70 59.66 1s6d h MET 15 Cb 0.53 0.04 -0.10 0.00 -0.80 0.00 0.00 31.60 31.26 1s6d h MET 15 CO 0.00 0.05 0.62 1.05 0.23 0.00 0.00 176.91 178.87 1s6d h GLU 16 N -1.01 0.56 0.00 0.39 4.11 -1.55 0.65 114.58 117.72 1s6d h GLU 16 Ca -0.02 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.31 1s6d h GLU 16 Cb 0.32 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1s6d h GLU 16 CO 0.03 0.37 -0.31 1.49 0.07 0.00 0.00 179.01 180.66 1s6d h GLU 17 N 0.58 0.00 -1.46 1.06 4.81 -1.64 -3.19 114.58 114.74 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 1.19 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.16 1s6d h GLU 17 CO -0.37 0.31 -0.95 0.00 -0.73 0.00 0.00 179.01 177.27 1s6d n ALA 18 N -2.36 4.07 -1.49 2.92 0.00 0.79 -5.06 120.51 119.38 1s6d n ALA 18 Ca -0.01 -3.81 -0.27 0.00 0.00 0.00 0.00 53.44 49.35 1s6d n ALA 18 Cb 0.40 -0.76 -0.21 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.21 0.00 -0.04 0.00 0.28 0.19 -4.70 120.64 116.16 1s6d n GLU 19 Ca 0.25 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 57.03 1s6d n GLU 19 Cb 0.69 -1.12 -0.13 0.00 1.43 0.00 0.00 31.44 32.31 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 11.18 0.16 -1.98 3.44 -0.00 -1.90 -3.35 114.93 122.47 1s6d h MET 20 Ca 0.02 -0.27 -0.74 0.00 -0.00 0.00 0.00 59.70 58.70 1s6d h MET 20 Cb 1.17 0.10 -0.30 0.00 -0.00 0.00 0.00 31.60 32.57 1s6d h MET 20 CO 1.56 1.13 0.74 1.28 -0.00 0.00 0.00 176.91 181.62 1s6d n LEU 21 N -3.90 6.99 -0.04 -0.10 7.99 -1.26 -4.03 117.00 122.65 1s6d n LEU 21 Ca -0.32 -5.01 -0.05 0.00 -0.01 0.00 0.00 56.01 50.63 1s6d n LEU 21 Cb 0.89 -0.98 -0.04 0.00 -0.11 0.00 0.00 43.42 43.18 1s6d n LEU 21 CO 0.33 1.90 -0.73 -3.20 -1.51 0.00 0.00 177.39 174.17 1s6d n ASN 22 N -0.45 3.45 0.02 -1.43 4.05 -1.26 -4.36 115.26 115.29 1s6d n ASN 22 Ca 0.50 -0.03 -0.20 0.00 0.45 0.00 0.00 54.58 55.30 1s6d n ASN 22 Cb 0.30 0.07 -0.14 0.00 1.23 0.00 0.00 39.78 41.24 1s6d n ASN 22 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 177.26 174.66 1s6d h HIS 23 N 0.00 0.44 0.00 1.20 3.86 -1.82 -3.06 115.15 115.78 1s6d h HIS 23 Ca -0.16 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1s6d h HIS 23 Cb 1.28 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1s6d h HIS 23 CO 0.01 1.40 0.00 0.00 0.86 0.00 0.00 177.93 180.20 1s6d h GLY 25 N 0.25 0.65 0.71 0.00 0.00 -1.73 -3.28 103.07 99.66 1s6d h GLY 25 Ca 0.00 -1.03 0.07 0.00 0.00 0.00 0.00 47.33 46.36 1s6d h GLY 25 CO 0.00 0.92 0.54 1.98 0.00 0.00 0.00 176.54 179.98 1s6d h MET 26 N 0.21 0.96 -0.47 4.80 4.05 -1.15 0.59 114.93 123.91 1s6d h MET 26 Ca -0.07 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1s6d h MET 26 Cb 1.38 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 31.94 1s6d h MET 26 CO 0.14 0.63 0.32 -0.92 0.23 0.00 0.00 176.91 177.31 1s6d h TYR 27 N 0.98 0.41 0.00 1.39 3.20 -1.63 0.48 116.97 121.81 1s6d h TYR 27 Ca 0.39 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 62.09 1s6d h TYR 27 Cb 0.19 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1s6d h TYR 27 CO -0.03 0.22 -1.50 1.28 -1.64 0.00 0.00 178.16 176.49 1s6d n LEU 28 N -4.48 0.78 -0.84 2.82 4.77 -0.14 -3.77 117.00 116.15 1s6d n LEU 28 Ca 0.06 0.34 0.08 0.00 -0.03 0.00 0.00 56.01 56.47 1s6d n LEU 28 Cb 0.24 0.10 0.24 0.00 -2.33 0.00 0.00 43.42 41.66 1s6d n LEU 28 CO 0.35 0.17 0.69 0.80 -1.33 0.00 0.00 177.39 178.07 1s6d n MET 29 N -2.86 2.07 0.11 3.23 1.56 0.19 -3.86 117.12 117.55 1s6d n MET 29 Ca -0.11 -1.64 0.12 0.00 -0.27 0.00 0.00 57.70 55.79 1s6d n MET 29 Cb 0.86 -1.38 0.08 0.00 2.15 0.00 0.00 33.22 34.92 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 2.80 0.00 -0.00 2.12 3.11 -0.18 -3.26 116.57 121.17 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 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 1s6d h LYS 30 CO 0.00 0.00 -0.38 0.09 -2.81 0.00 0.00 179.45 176.35 1s6d n ASN 31 N -2.57 0.83 0.21 4.20 4.13 -1.25 -3.95 115.26 116.86 1s6d n ASN 31 Ca 0.02 -0.92 0.13 0.00 1.68 0.00 0.00 54.58 55.48 1s6d n ASN 31 Cb 0.51 0.77 0.25 0.00 -1.54 0.00 0.00 39.78 39.77 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 0.53 0.00 -5.00 3.41 3.38 -1.67 -3.42 115.31 112.55 1s6d h LEU 32 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1s6d h LEU 32 Cb 0.30 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.91 1s6d h LEU 32 CO 0.00 0.00 -0.18 0.61 0.09 0.00 0.00 178.44 178.96 1s6d n GLY 33 N 1.04 -1.44 3.37 0.83 0.00 -1.23 -5.05 105.19 102.71 1s6d n GLY 33 Ca 0.04 1.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.97 1s6d n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s6d s GLU 34 N 0.71 0.50 -0.73 1.61 -6.30 -1.25 -4.89 118.70 108.35 1s6d s GLU 34 Ca 0.26 0.82 -0.25 0.00 -2.50 0.00 0.00 54.97 53.30 1s6d s GLU 34 Cb 0.14 0.10 -0.14 0.00 0.00 0.00 0.00 34.13 34.23 1s6d s GLU 34 CO -0.10 -0.13 2.41 0.54 0.02 0.00 0.00 175.26 178.00 1s6d n ARG 35 N 3.81 0.62 -0.10 4.30 1.74 -1.26 -4.76 116.66 121.01 1s6d n ARG 35 Ca -0.20 -0.44 0.10 0.00 -0.77 0.00 0.00 57.85 56.55 1s6d n ARG 35 Cb 0.56 -3.21 0.47 0.00 -1.02 0.00 0.00 32.46 29.26 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 14.78 0.44 -0.85 0.55 0.87 -1.98 -3.42 113.55 123.94 1s6d h SER 36 Ca -0.08 0.01 -0.76 0.00 -1.23 0.00 0.00 61.79 59.73 1s6d h SER 36 Cb 1.12 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 63.00 1s6d h SER 36 CO 1.14 0.27 0.61 0.00 -0.53 0.00 0.00 176.83 178.32 1s6d n GLN 37 N -4.48 0.00 -3.64 2.24 -0.00 -1.26 -4.93 117.38 105.31 1s6d n GLN 37 Ca 0.10 0.00 -0.19 0.00 -0.00 0.00 0.00 57.00 56.91 1s6d n GLN 37 Cb 0.33 -1.31 -0.16 0.00 -0.00 0.00 0.00 30.24 29.10 1s6d n GLN 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1s6d s VAL 38 N 2.68 -0.21 -0.04 -0.39 0.11 -1.26 -5.04 120.40 116.25 1s6d s VAL 38 Ca 0.92 0.25 -0.20 0.00 -2.93 0.00 0.00 61.98 60.02 1s6d s VAL 38 Cb -1.31 -0.34 -0.14 0.00 -1.53 0.00 0.00 36.38 33.07 1s6d s VAL 38 CO 0.71 0.06 0.86 -1.28 -3.33 0.00 0.00 175.10 172.11 1s6d h SER 39 N 8.38 -0.29 -0.80 3.54 0.87 -1.98 -3.47 113.55 119.80 1s6d h SER 39 Ca -0.14 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1s6d h SER 39 Cb 1.13 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1s6d h SER 39 CO 0.18 0.20 0.00 -0.81 -0.53 0.00 0.00 176.83 175.87 1s6d n PRO 40 N -5.02 0.24 0.00 2.24 -0.04 -1.26 -5.00 135.00 126.16 1s6d n PRO 40 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1s6d n PRO 40 Cb 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.71 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 -0.62 0.00 -0.17 0.54 3.00 -1.26 -5.01 116.66 113.14 1s6d n ARG 41 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 57.85 57.98 1s6d n ARG 41 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 32.46 31.68 1s6d n ARG 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1s6d n MET 42 N -0.42 0.00 0.00 5.56 2.81 -1.26 -5.00 117.12 118.81 1s6d n MET 42 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1s6d n MET 42 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1s6d n MET 42 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1s6d n ARG 43 N 0.00 0.00 0.00 0.03 1.74 -1.26 -5.08 116.66 112.09 1s6d n ARG 43 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1s6d n ARG 43 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1s6d n ARG 43 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1s6d n GLU 44 N 0.00 0.00 -0.26 5.56 0.00 -1.26 -5.18 120.64 119.51 1s6d n GLU 44 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 56.99 1s6d n GLU 44 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 31.44 31.60 1s6d n GLU 44 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1s6d n GLU 45 N 0.00 -3.19 -3.26 3.44 0.00 -1.26 -5.07 120.64 111.30 1s6d n GLU 45 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 57.16 56.27 1s6d n GLU 45 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 31.44 30.39 1s6d n GLU 45 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1s6d s ASP 46 N -2.76 -0.39 -0.82 -1.84 2.15 -1.26 -4.94 116.67 106.80 1s6d s ASP 46 Ca 0.38 0.15 0.01 0.00 0.43 0.00 0.00 52.55 53.51 1s6d s ASP 46 Cb -0.06 1.50 0.21 0.00 -0.30 0.00 0.00 42.92 44.27 1s6d s ASP 46 CO 0.31 -0.31 0.72 1.41 -0.17 0.00 0.00 175.17 177.13 1s6d n HIS 47 N 5.38 3.78 0.79 -5.34 8.25 -1.26 -4.77 115.22 122.06 1s6d n HIS 47 Ca -0.00 -4.13 0.08 0.00 -0.26 0.00 0.00 57.72 53.41 1s6d n HIS 47 Cb 0.51 -0.92 -0.08 0.00 1.12 0.00 0.00 29.99 30.61 1s6d n HIS 47 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1s6d n LYS 48 N 1.98 1.46 -0.02 -0.41 4.81 -1.26 -3.34 118.16 121.39 1s6d n LYS 48 Ca 0.22 -0.11 0.08 0.00 -0.87 0.00 0.00 58.31 57.62 1s6d n LYS 48 Cb 0.37 -1.30 -0.15 0.00 0.02 0.00 0.00 35.03 33.97 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 -1.22 0.64 0.10 1.64 7.27 -1.26 -3.25 117.38 121.30 1s6d n GLN 49 Ca 0.04 -0.16 -0.03 0.00 0.07 0.00 0.00 57.00 56.92 1s6d n GLN 49 Cb 0.28 -1.46 0.01 0.00 2.41 0.00 0.00 30.24 31.47 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 0.00 1.69 3.38 -1.93 -1.80 115.31 116.65 1s6d h LEU 50 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1s6d h LEU 50 Cb 1.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1s6d h LEU 50 CO 0.00 0.79 -0.02 0.00 0.09 0.00 0.00 178.44 179.30 1s6d n MET 53 N -2.65 0.00 -0.14 0.00 0.00 -0.68 -3.60 117.12 110.05 1s6d n MET 53 Ca -0.02 0.00 0.19 0.00 0.00 0.00 0.00 57.70 57.87 1s6d n MET 53 Cb 0.14 -0.65 0.59 0.00 0.00 0.00 0.00 33.22 33.29 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 0.24 -0.96 2.12 7.50 -1.42 0.34 115.11 122.93 1s6d h GLN 54 Ca 0.00 -0.01 0.23 0.00 0.50 0.00 0.00 58.65 59.37 1s6d h GLN 54 Cb 0.00 -0.05 -0.07 0.00 0.05 0.00 0.00 27.48 27.40 1s6d h GLN 54 CO 0.00 0.16 0.63 -0.07 -1.50 0.00 0.00 178.83 178.05 1s6d h LEU 55 N 0.25 0.39 -0.15 1.46 3.38 -1.36 0.28 115.31 119.56 1s6d h LEU 55 Ca 0.37 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.22 1s6d h LEU 55 Cb 1.07 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.81 1s6d h LEU 55 CO -0.08 0.13 -0.56 0.50 0.09 0.00 0.00 178.44 178.51 1s6d h LYS 56 N 0.37 0.64 -0.98 1.13 1.63 -0.38 -3.08 116.57 115.89 1s6d h LYS 56 Ca 0.51 -0.49 0.29 0.00 -0.85 0.00 0.00 60.65 60.10 1s6d h LYS 56 Cb 1.35 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 33.03 1s6d h LYS 56 CO -0.20 1.11 0.79 -0.97 -3.45 0.00 0.00 179.45 176.73 1s6d h ASN 57 N 0.30 0.00 -4.55 4.20 -0.73 -0.30 -3.41 115.58 111.08 1s6d h ASN 57 Ca -0.03 0.00 -0.48 0.00 1.87 0.00 0.00 56.30 57.66 1s6d h ASN 57 Cb 1.20 0.00 0.09 0.00 0.27 0.00 0.00 38.32 39.88 1s6d h ASN 57 CO 0.12 0.00 0.41 -0.76 -0.37 0.00 0.00 177.43 176.83 1s6d s LEU 58 N -7.98 2.68 0.52 0.34 1.43 -0.77 -5.06 118.68 109.84 1s6d s LEU 58 Ca -0.05 0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 53.82 1s6d s LEU 58 Cb 0.20 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.78 1s6d s LEU 58 CO 0.71 -1.65 1.01 -0.62 0.23 0.00 0.00 176.35 176.03 1s6d s ASP 59 N -4.48 6.42 0.63 2.29 -1.08 -1.26 -4.92 116.67 114.26 1s6d s ASP 59 Ca 0.60 1.70 0.38 0.00 -0.52 0.00 0.00 52.55 54.72 1s6d s ASP 59 Cb -0.11 -2.53 2.11 0.00 -1.46 0.00 0.00 42.92 40.93 1s6d s ASP 59 CO 0.50 -0.73 2.29 -0.08 0.52 0.00 0.00 175.17 177.67 1s6d h GLU 60 N 1.03 0.00 0.00 4.34 4.81 -1.91 0.37 114.58 123.21 1s6d h GLU 60 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1s6d h GLU 60 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1s6d h GLU 60 CO 0.60 0.01 -0.19 0.36 -0.73 0.00 0.00 179.01 179.06 1s6d n LYS 61 N -3.35 0.13 -0.36 1.92 2.85 -1.26 -2.93 118.16 115.15 1s6d n LYS 61 Ca -0.03 0.08 0.10 0.00 -1.05 0.00 0.00 58.31 57.42 1s6d n LYS 61 Cb 0.10 -1.63 0.30 0.00 -0.65 0.00 0.00 35.03 33.16 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 1.40 4.35 0.00 0.00 2.81 -1.11 -3.75 117.12 120.83 1s6d n MET 63 Ca 0.22 -4.63 0.00 0.00 -1.81 0.00 0.00 57.70 51.48 1s6d n MET 63 Cb 0.59 -2.36 0.00 0.00 -0.71 0.00 0.00 33.22 30.74 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 0.26 0.17 0.00 0.13 -1.79 -3.27 132.00 127.50 1s6d h PRO 65 Ca 0.00 -0.32 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1s6d h PRO 65 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1s6d h PRO 65 CO 0.00 1.06 -0.08 0.00 -0.23 0.00 0.00 178.00 178.75 1s6d h ALA 66 N 0.82 -0.23 -0.94 -0.56 0.00 -1.84 -3.21 119.26 113.31 1s6d h ALA 66 Ca -0.07 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.81 1s6d h ALA 66 Cb 1.65 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 19.37 1s6d h ALA 66 CO 0.16 -0.44 -0.31 -0.89 0.00 0.00 0.00 179.25 177.77 1s6d n ILE 67 N -5.02 -0.45 -0.26 0.00 5.41 -1.23 0.54 119.36 118.34 1s6d n ILE 67 Ca -0.09 2.17 -0.06 0.00 1.00 0.00 0.00 62.75 65.78 1s6d n ILE 67 Cb 0.24 -2.93 -0.01 0.00 -0.71 0.00 0.00 39.64 36.23 1s6d n ILE 67 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1s6d h MET 68 N 0.00 -0.14 -0.05 0.38 4.05 -1.61 0.30 114.93 117.86 1s6d h MET 68 Ca 0.38 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.78 1s6d h MET 68 Cb 0.61 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1s6d h MET 68 CO -0.94 -0.09 -0.07 0.52 0.23 0.00 0.00 176.91 176.55 1s6d h MET 69 N -0.14 0.07 -0.93 0.39 2.86 0.03 -2.38 114.93 114.83 1s6d h MET 69 Ca 0.23 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.99 1s6d h MET 69 Cb 0.56 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.13 1s6d h MET 69 CO -0.77 0.15 0.59 0.00 1.06 0.00 0.00 176.91 177.95 1s6d h MET 70 N 0.07 0.82 -0.72 1.72 3.00 0.15 0.12 114.93 120.08 1s6d h MET 70 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 59.70 59.67 1s6d h MET 70 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 31.60 31.60 1s6d h MET 70 CO 0.01 0.54 0.00 1.28 0.00 0.00 0.00 176.91 178.74 1s6d n LEU 71 N -4.57 3.18 -0.00 -0.10 4.32 -0.90 -3.27 117.00 115.66 1s6d n LEU 71 Ca 0.17 -1.61 0.00 0.00 -0.02 0.00 0.00 56.01 54.55 1s6d n LEU 71 Cb 0.39 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1s6d n LEU 71 CO 0.29 0.45 0.18 0.59 -1.22 0.00 0.00 177.39 177.69 1s6d n ASN 72 N 0.36 0.74 -3.96 -1.43 5.03 0.38 -4.38 115.26 112.00 1s6d n ASN 72 Ca 0.14 -0.87 -0.30 0.00 0.87 0.00 0.00 54.58 54.42 1s6d n ASN 72 Cb 0.67 0.27 0.24 0.00 -1.02 0.00 0.00 39.78 39.94 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 -0.28 -1.23 0.00 3.52 2.02 -1.07 -4.85 118.70 116.81 1s6d s GLU 73 Ca 0.00 0.13 -0.00 0.00 0.02 0.00 0.00 54.97 55.12 1s6d s GLU 73 Cb 0.00 -1.58 -0.02 0.00 0.10 0.00 0.00 34.13 32.63 1s6d s GLU 73 CO 0.00 -3.76 1.42 -0.35 0.02 0.00 0.00 175.26 172.60 1s6d n PRO 74 N -4.83 0.71 -0.57 0.39 -0.04 -1.26 -2.42 135.00 126.99 1s6d n PRO 74 Ca 0.11 -0.07 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1s6d n PRO 74 Cb 0.59 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.78 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 1.79 0.00 -3.21 0.54 1.56 -1.26 -5.07 117.12 111.47 1s6d n MET 75 Ca 0.03 -0.32 -0.01 0.00 -0.27 0.00 0.00 57.70 57.12 1s6d n MET 75 Cb 0.35 0.31 -0.02 0.00 2.15 0.00 0.00 33.22 36.01 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 -1.55 0.00 1.12 0.52 -1.02 -4.89 118.94 113.12 1s6d s TRP 76 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 56.10 56.20 1s6d s TRP 76 Cb 0.00 0.23 0.00 0.00 -1.15 0.00 0.00 33.47 32.55 1s6d s TRP 76 CO 0.00 -1.16 0.00 -0.89 0.02 0.00 0.00 176.95 174.92 1s6d n ILE 77 N 4.31 0.00 -0.08 2.03 -0.00 -1.26 -3.70 119.36 120.66 1s6d n ILE 77 Ca 0.11 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.66 1s6d n ILE 77 Cb 0.56 -0.25 -0.12 0.00 -0.00 0.00 0.00 39.64 39.82 1s6d n ILE 77 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1s6d n ARG 78 N -1.04 0.68 0.30 0.38 1.74 -1.26 -4.14 116.66 113.32 1s6d n ARG 78 Ca 0.00 0.23 0.18 0.00 -0.77 0.00 0.00 57.85 57.48 1s6d n ARG 78 Cb 0.00 -1.60 0.92 0.00 -1.02 0.00 0.00 32.46 30.77 1s6d n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s6d h MET 79 N -0.13 0.00 0.00 5.56 -0.00 -1.96 -0.70 114.93 117.70 1s6d h MET 79 Ca -0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.12 1s6d h MET 79 Cb 1.88 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.47 1s6d h MET 79 CO -0.07 0.04 -0.26 0.07 -0.00 0.00 0.00 176.91 176.70 1s6d h ARG 80 N 0.00 0.00 -1.40 -0.10 0.11 -1.88 -3.24 114.38 107.87 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 0.21 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.23 1s6d h ARG 80 CO 0.01 0.26 1.01 0.22 0.10 0.00 0.00 179.97 181.56 1s6d h ASP 81 N 0.00 0.02 0.06 0.08 1.82 -1.28 0.70 116.42 117.82 1s6d h ASP 81 Ca -0.00 0.01 -0.24 0.00 -0.39 0.00 0.00 57.03 56.41 1s6d h ASP 81 Cb 0.89 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 1s6d h ASP 81 CO 0.03 -0.00 -1.24 1.56 -1.61 0.00 0.00 179.24 177.98 1s6d h GLN 82 N 0.01 0.14 0.00 0.28 7.50 -1.75 -3.33 115.11 117.96 1s6d h GLN 82 Ca 0.68 -0.23 0.00 0.00 0.50 0.00 0.00 58.65 59.59 1s6d h GLN 82 Cb 2.67 0.09 0.00 0.00 0.05 0.00 0.00 27.48 30.29 1s6d h GLN 82 CO -0.03 1.11 0.00 1.33 -1.50 0.00 0.00 178.83 179.74 1s6d n VAL 83 N -4.14 1.66 0.29 -0.54 0.24 0.26 -2.32 118.33 113.78 1s6d n VAL 83 Ca -0.26 0.51 -0.13 0.00 -2.04 0.00 0.00 64.34 62.42 1s6d n VAL 83 Cb 0.79 -1.48 -0.06 0.00 -1.47 0.00 0.00 33.84 31.62 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 -0.77 -0.26 7.34 2.86 0.16 0.91 114.93 125.17 1s6d h MET 84 Ca 0.00 0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.54 1s6d h MET 84 Cb 0.04 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1s6d h MET 84 CO 0.00 -0.50 -0.44 0.66 1.06 0.00 0.00 176.91 177.69 1s6d h SER 85 N -1.20 0.70 -0.58 1.22 4.64 -1.69 -2.76 113.55 113.89 1s6d h SER 85 Ca -0.08 -0.33 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 1s6d h SER 85 Cb 0.62 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1s6d h SER 85 CO 0.13 1.04 0.15 0.24 -0.87 0.00 0.00 176.83 177.53 1s6d h MET 86 N 0.53 0.92 -0.91 4.77 2.86 -1.50 -0.40 114.93 121.20 1s6d h MET 86 Ca 0.04 -0.22 -0.11 0.00 -2.06 0.00 0.00 59.70 57.34 1s6d h MET 86 Cb 0.98 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.45 1s6d h MET 86 CO 0.09 0.85 0.15 0.00 1.06 0.00 0.00 176.91 179.05 1s6d n ALA 87 N -2.40 3.50 -0.02 6.32 0.00 0.31 -2.98 120.51 125.23 1s6d n ALA 87 Ca 0.03 -1.07 0.03 0.00 0.00 0.00 0.00 53.44 52.43 1s6d n ALA 87 Cb 0.23 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 1s6d n ALA 87 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1s6d n HIS 88 N 0.02 0.00 -0.01 0.00 -0.00 -0.16 -4.35 115.22 110.73 1s6d n HIS 88 Ca 0.19 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.96 1s6d n HIS 88 Cb 0.85 -0.45 -0.07 0.00 -0.00 0.00 0.00 29.99 30.32 1s6d n HIS 88 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1s6d n ASN 89 N -2.17 2.92 0.01 0.26 5.03 -1.22 -4.23 115.26 115.86 1s6d n ASN 89 Ca -0.09 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.25 1s6d n ASN 89 Cb 0.56 1.38 -0.07 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 0.05 -0.87 3.41 3.38 -1.78 0.14 115.31 119.65 1s6d h LEU 90 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1s6d h LEU 90 Cb 0.47 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1s6d h LEU 90 CO 0.00 0.16 0.00 1.55 0.09 0.00 0.00 178.44 180.24 1s6d h PRO 91 N -0.05 0.00 0.13 1.13 0.13 -1.82 -3.04 132.00 128.48 1s6d h PRO 91 Ca 0.01 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.97 1s6d h PRO 91 Cb 0.12 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.27 1s6d h PRO 91 CO -0.00 0.00 -0.77 0.82 -0.23 0.00 0.00 178.00 177.82 1s6d h ILE 92 N 0.00 1.52 0.00 -3.56 2.04 -1.67 0.56 117.51 116.40 1s6d h ILE 92 Ca 0.00 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.36 1s6d h ILE 92 Cb 0.66 3.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.92 1s6d h ILE 92 CO 0.00 0.71 0.00 -0.33 0.00 0.00 0.00 178.15 178.53 1s6d h GLU 93 N -0.38 0.00 0.00 2.37 5.08 -0.71 0.27 114.58 121.20 1s6d h GLU 93 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1s6d h GLU 93 Cb 1.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1s6d h GLU 93 CO 0.14 0.00 -0.62 0.00 -1.00 0.00 0.00 179.01 177.53 1s6d n ASN 95 N -1.79 -1.71 -0.05 0.00 4.05 0.93 -4.98 115.26 111.72 1s6d n ASN 95 Ca 0.04 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 55.06 1s6d n ASN 95 Cb 0.39 -0.43 -0.00 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 -3.07 1.20 3.38 -0.06 -3.40 115.31 113.36 1s6d h LEU 96 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s6d h LEU 96 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1s6d h LEU 96 CO 0.00 0.50 -0.11 1.15 0.09 0.00 0.00 178.44 180.07 1s6d n MET 97 N -4.47 1.65 -0.00 1.13 0.00 -0.86 -4.55 117.12 110.01 1s6d n MET 97 Ca -0.01 -2.82 -0.00 0.00 0.00 0.00 0.00 57.70 54.87 1s6d n MET 97 Cb 0.05 -1.60 -0.00 0.00 0.00 0.00 0.00 33.22 31.66 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 -1.20 -0.00 -2.75 3.17 2.88 -1.26 -4.23 113.62 110.22 1s6d n SER 98 Ca 0.19 0.81 -0.09 0.00 -1.33 0.00 0.00 58.87 58.45 1s6d n SER 98 Cb 0.72 -0.40 0.09 0.00 -0.75 0.00 0.00 64.21 63.87 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 -2.82 1.10 0.00 -1.46 0.00 -1.26 -4.88 117.38 108.06 1s6d n GLN 99 Ca 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 57.00 54.91 1s6d n GLN 99 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 30.24 29.57 1s6d n GLN 99 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1s6d n PRO 100 N -0.09 0.00 -2.37 3.69 -0.04 -1.26 -4.72 135.00 130.21 1s6d n PRO 100 Ca 0.04 0.47 -0.42 0.00 -0.04 0.00 0.00 63.50 63.54 1s6d n PRO 100 Cb 0.77 -1.11 -0.03 0.00 -0.04 0.00 0.00 33.50 33.09 1s6d n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s6d s GLN 102 N 2.67 2.11 0.00 0.00 -0.21 -1.26 -3.81 119.66 119.16 1s6d s GLN 102 Ca 0.58 -2.34 0.31 0.00 0.02 0.00 0.00 55.36 53.93 1s6d s GLN 102 Cb -0.26 -1.02 1.83 0.00 1.00 0.00 0.00 33.01 34.57 1s6d s GLN 102 CO 0.22 -0.48 2.16 -0.12 -2.12 0.00 0.00 175.29 174.95