#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs8 n ILE 2 N 0.00 1.27 -2.61 2.02 3.06 -1.26 -4.85 119.36 116.99 1vs8 n ILE 2 Ca 0.00 -0.45 -0.43 0.00 -2.50 0.00 0.00 62.75 59.37 1vs8 n ILE 2 Cb 0.00 -0.49 -0.02 0.00 0.54 0.00 0.00 39.64 39.67 1vs8 n ILE 2 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1vs8 s ARG 3 N -2.18 3.70 -0.90 9.51 1.81 -1.26 -4.92 118.95 124.71 1vs8 s ARG 3 Ca 0.61 0.52 -0.21 0.00 -1.72 0.00 0.00 55.73 54.93 1vs8 s ARG 3 Cb -0.38 -3.92 -0.12 0.00 -0.45 0.00 0.00 34.95 30.08 1vs8 s ARG 3 CO 0.62 -1.40 1.96 -1.91 -0.68 0.00 0.00 175.30 173.88 1vs8 n GLU 4 N 7.86 1.70 -4.16 3.54 4.07 -1.26 -4.87 120.64 127.53 1vs8 n GLU 4 Ca 0.11 -2.03 -0.25 0.00 -0.06 0.00 0.00 57.16 54.94 1vs8 n GLU 4 Cb 0.49 -3.06 -0.06 0.00 -0.06 0.00 0.00 31.44 28.75 1vs8 n GLU 4 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1vs8 s GLU 5 N 4.93 2.67 -1.29 5.31 8.01 -1.26 -5.01 118.70 132.06 1vs8 s GLU 5 Ca 0.57 -1.05 -0.05 0.00 0.01 0.00 0.00 54.97 54.45 1vs8 s GLU 5 Cb 0.13 -2.48 0.14 0.00 -4.31 0.00 0.00 34.13 27.61 1vs8 s GLU 5 CO 0.10 0.44 2.32 -2.13 0.01 0.00 0.00 175.26 176.00 1vs8 n ARG 6 N -0.52 4.69 -0.35 1.61 3.00 -1.26 -4.79 116.66 119.03 1vs8 n ARG 6 Ca -0.08 -3.60 0.28 0.00 -0.00 0.00 0.00 57.85 54.45 1vs8 n ARG 6 Cb 0.56 -2.62 0.45 0.00 0.00 0.00 0.00 32.46 30.86 1vs8 n ARG 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1vs8 n LEU 7 N 1.55 0.08 0.00 6.15 7.99 -1.26 -3.32 117.00 128.19 1vs8 n LEU 7 Ca 0.61 0.75 0.00 0.00 -0.01 0.00 0.00 56.01 57.36 1vs8 n LEU 7 Cb 0.25 -0.37 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 1vs8 n LEU 7 CO 0.67 -0.80 0.00 -0.11 -1.51 0.00 0.00 177.39 175.64 1vs8 n LEU 8 N -3.61 0.00 -4.39 2.23 7.94 -1.26 -4.80 117.00 113.10 1vs8 n LEU 8 Ca 0.26 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.85 1vs8 n LEU 8 Cb 1.08 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.96 1vs8 n LEU 8 CO 0.18 0.00 1.61 1.17 -1.11 0.00 0.00 177.39 179.24 1vs8 n LYS 9 N -0.84 1.54 -0.00 1.96 4.81 -1.21 -4.41 118.16 120.01 1vs8 n LYS 9 Ca 0.00 -2.33 0.08 0.00 -0.87 0.00 0.00 58.31 55.20 1vs8 n LYS 9 Cb 0.00 -3.57 -0.11 0.00 0.02 0.00 0.00 35.03 31.36 1vs8 n LYS 9 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1vs8 n VAL 10 N 7.49 0.00 0.00 3.15 3.14 -1.25 -4.88 118.33 125.98 1vs8 n VAL 10 Ca 0.46 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.61 1vs8 n VAL 10 Cb 0.45 0.62 0.00 0.00 -1.06 0.00 0.00 33.84 33.86 1vs8 n VAL 10 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vs8 n LEU 11 N -1.70 0.00 0.00 6.55 -0.00 -1.26 -1.00 117.00 119.59 1vs8 n LEU 11 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 1vs8 n LEU 11 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1vs8 n LEU 11 CO 0.36 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.61 1vs8 n ARG 12 N 0.00 0.00 -1.18 1.47 0.63 -1.16 -4.59 116.66 111.83 1vs8 n ARG 12 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 1vs8 n ARG 12 Cb 0.00 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.00 1vs8 n ARG 12 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vs8 n ALA 13 N -3.00 -1.28 -1.74 5.13 0.00 -1.26 -4.67 120.51 113.69 1vs8 n ALA 13 Ca 0.00 -0.31 -0.35 0.00 0.00 0.00 0.00 53.44 52.79 1vs8 n ALA 13 Cb 0.00 -1.94 0.01 0.00 0.00 0.00 0.00 19.45 17.52 1vs8 n ALA 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vs8 s PRO 14 N -3.19 3.29 0.00 0.00 0.04 -1.26 -3.60 135.00 130.28 1vs8 s PRO 14 Ca 0.66 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1vs8 s PRO 14 Cb -0.32 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1vs8 s PRO 14 CO 0.57 -0.89 0.38 1.58 0.04 0.00 0.00 177.00 178.68 1vs8 n HIS 15 N -1.44 0.00 -0.59 0.56 -0.00 -1.26 -4.71 115.22 107.78 1vs8 n HIS 15 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 1vs8 n HIS 15 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 1vs8 n HIS 15 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1vs8 n VAL 16 N -0.53 -1.26 -3.25 3.57 0.31 -1.26 -4.98 118.33 110.93 1vs8 n VAL 16 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1vs8 n VAL 16 Cb 0.00 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.13 1vs8 n VAL 16 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1vs8 n SER 17 N 0.00 -0.30 0.01 4.52 3.41 -1.26 -4.96 113.62 115.05 1vs8 n SER 17 Ca 0.00 -1.19 -0.12 0.00 -0.26 0.00 0.00 58.87 57.30 1vs8 n SER 17 Cb 0.00 0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 1vs8 n SER 17 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1vs8 h GLU 18 N 0.00 0.01 -0.01 4.33 4.22 -2.05 -1.94 114.58 119.14 1vs8 h GLU 18 Ca -0.04 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1vs8 h GLU 18 Cb 0.17 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1vs8 h GLU 18 CO 0.06 0.22 0.01 -0.22 -2.18 0.00 0.00 179.01 176.90 1vs8 h LYS 19 N -0.20 0.00 -7.31 1.92 1.63 -2.01 -3.39 116.57 107.21 1vs8 h LYS 19 Ca 0.00 0.00 -0.48 0.00 -0.85 0.00 0.00 60.65 59.32 1vs8 h LYS 19 Cb 0.21 0.00 0.16 0.00 -0.60 0.00 0.00 32.23 32.00 1vs8 h LYS 19 CO -0.00 0.00 0.22 0.00 -3.45 0.00 0.00 179.45 176.22 1vs8 s ALA 20 N -4.82 1.33 0.00 5.00 0.00 -0.73 -2.44 121.76 120.10 1vs8 s ALA 20 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1vs8 s ALA 20 Cb 0.16 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1vs8 s ALA 20 CO 0.60 -2.54 0.00 0.45 0.00 0.00 0.00 175.76 174.27 1vs8 n SER 21 N -4.02 0.00 0.22 0.00 2.88 -1.26 -4.26 113.62 107.17 1vs8 n SER 21 Ca 0.07 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.71 1vs8 n SER 21 Cb 0.55 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 64.44 1vs8 n SER 21 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1vs8 h THR 22 N 0.00 0.56 0.00 2.46 1.35 -1.76 -1.94 112.91 113.58 1vs8 h THR 22 Ca 0.00 -1.18 -0.02 0.00 -0.55 0.00 0.00 66.41 64.66 1vs8 h THR 22 Cb 0.00 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1vs8 h THR 22 CO 0.00 0.23 -0.08 0.00 -0.25 0.00 0.00 175.52 175.42 1vs8 h ALA 23 N 1.76 1.11 0.00 6.62 0.00 -1.66 -1.77 119.26 125.32 1vs8 h ALA 23 Ca -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1vs8 h ALA 23 Cb 0.79 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1vs8 h ALA 23 CO 0.03 0.10 -0.20 0.52 0.00 0.00 0.00 179.25 179.70 1vs8 h MET 24 N 0.00 0.00 0.00 0.00 2.86 -1.32 -1.44 114.93 115.03 1vs8 h MET 24 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1vs8 h MET 24 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1vs8 h MET 24 CO 0.01 0.20 0.00 0.39 1.06 0.00 0.00 176.91 178.57 1vs8 n GLU 25 N -3.90 0.17 0.10 1.72 4.71 -0.67 0.12 120.64 122.89 1vs8 n GLU 25 Ca -0.02 0.23 -0.05 0.00 -0.01 0.00 0.00 57.16 57.31 1vs8 n GLU 25 Cb 0.29 -1.74 0.08 0.00 -1.01 0.00 0.00 31.44 29.06 1vs8 n GLU 25 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1vs8 h LYS 26 N 0.00 0.14 0.00 3.49 1.57 -1.35 -3.43 116.57 116.99 1vs8 h LYS 26 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1vs8 h LYS 26 Cb 0.55 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1vs8 h LYS 26 CO 0.00 0.79 0.00 -1.13 -0.57 0.00 0.00 179.45 178.54 1vs8 n SER 27 N -3.75 0.00 -0.90 0.86 3.41 -1.19 -4.88 113.62 107.17 1vs8 n SER 27 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.47 1vs8 n SER 27 Cb 0.70 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.60 1vs8 n SER 27 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1vs8 n ASN 28 N 0.00 -4.98 -4.58 4.04 4.13 0.32 -4.10 115.26 110.10 1vs8 n ASN 28 Ca 0.00 0.29 -0.43 0.00 1.68 0.00 0.00 54.58 56.12 1vs8 n ASN 28 Cb 0.00 -3.51 -0.04 0.00 -1.54 0.00 0.00 39.78 34.69 1vs8 n ASN 28 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1vs8 s THR 29 N -2.25 4.56 0.11 3.41 -1.32 -0.35 -4.58 115.64 115.22 1vs8 s THR 29 Ca 0.00 0.94 0.05 0.00 -1.21 0.00 0.00 61.69 61.47 1vs8 s THR 29 Cb 0.00 -4.36 -0.04 0.00 -1.51 0.00 0.00 72.50 66.59 1vs8 s THR 29 CO 0.00 -0.66 0.01 -0.51 -2.21 0.00 0.00 174.62 171.26 1vs8 s ILE 30 N 3.54 4.02 0.00 5.08 2.07 -1.15 -3.26 121.20 131.50 1vs8 s ILE 30 Ca 0.36 -1.06 0.00 0.00 -1.41 0.00 0.00 60.65 58.55 1vs8 s ILE 30 Cb -0.11 -2.94 0.00 0.00 0.13 0.00 0.00 42.46 39.53 1vs8 s ILE 30 CO 0.22 0.07 0.08 0.55 -1.91 0.00 0.00 174.94 173.95 1vs8 n VAL 31 N 0.39 0.00 -1.41 4.00 3.14 -1.26 -3.76 118.33 119.43 1vs8 n VAL 31 Ca -0.10 0.49 0.00 0.00 -2.96 0.00 0.00 64.34 61.76 1vs8 n VAL 31 Cb 0.53 -1.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 1vs8 n VAL 31 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1vs8 n LEU 32 N -0.10 -4.69 -4.76 6.55 0.00 -1.26 -3.14 117.00 109.60 1vs8 n LEU 32 Ca 0.00 2.10 -0.40 0.00 0.00 0.00 0.00 56.01 57.72 1vs8 n LEU 32 Cb 0.00 -2.15 -0.05 0.00 0.00 0.00 0.00 43.42 41.21 1vs8 n LEU 32 CO 0.00 -0.90 0.45 -1.59 0.00 0.00 0.00 177.39 175.35 1vs8 s LYS 33 N -1.90 4.49 0.43 1.96 0.00 -1.24 -2.32 119.74 121.16 1vs8 s LYS 33 Ca 0.00 1.05 0.07 0.00 0.00 0.00 0.00 55.97 57.09 1vs8 s LYS 33 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 37.83 34.46 1vs8 s LYS 33 CO 0.00 0.39 0.22 0.54 0.00 0.00 0.00 175.35 176.49 1vs8 s VAL 34 N -0.42 2.23 0.78 1.79 0.11 -0.67 -3.01 120.40 121.22 1vs8 s VAL 34 Ca 0.37 -1.65 -0.12 0.00 -2.93 0.00 0.00 61.98 57.65 1vs8 s VAL 34 Cb -0.21 -2.88 0.07 0.00 -1.53 0.00 0.00 36.38 31.82 1vs8 s VAL 34 CO 0.23 0.00 1.12 0.00 -3.33 0.00 0.00 175.10 173.12 1vs8 s ALA 35 N -2.61 2.10 0.00 1.54 0.00 -0.17 -3.88 121.76 118.73 1vs8 s ALA 35 Ca 0.40 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1vs8 s ALA 35 Cb 0.02 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1vs8 s ALA 35 CO 0.22 -1.92 0.29 1.63 0.00 0.00 0.00 175.76 175.98 1vs8 n LYS 36 N -3.42 0.00 -1.16 0.00 5.02 -1.26 -3.25 118.16 114.08 1vs8 n LYS 36 Ca 0.10 0.15 -0.42 0.00 -2.02 0.00 0.00 58.31 56.12 1vs8 n LYS 36 Cb 0.52 -0.79 -0.05 0.00 -0.02 0.00 0.00 35.03 34.69 1vs8 n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1vs8 n ASP 37 N -0.44 2.71 -0.12 4.39 8.00 -1.26 -4.42 116.55 125.40 1vs8 n ASP 37 Ca 0.00 -2.67 -0.22 0.00 0.71 0.00 0.00 54.79 52.61 1vs8 n ASP 37 Cb 0.00 -1.14 -0.10 0.00 -0.02 0.00 0.00 41.12 39.86 1vs8 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vs8 n ALA 38 N 7.23 1.41 -1.48 2.24 0.00 -1.20 -5.12 120.51 123.59 1vs8 n ALA 38 Ca 0.49 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1vs8 n ALA 38 Cb 0.39 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1vs8 n ALA 38 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vs8 n THR 39 N -3.69 -6.94 -0.29 0.00 -2.24 -1.26 -4.13 114.28 95.73 1vs8 n THR 39 Ca -0.47 2.18 -0.08 0.00 -2.27 0.00 0.00 64.05 63.41 1vs8 n THR 39 Cb 0.90 -3.53 -0.04 0.00 -2.10 0.00 0.00 70.33 65.56 1vs8 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1vs8 h LYS 40 N 2.60 -0.14 -1.29 -0.78 1.57 -1.98 0.32 116.57 116.87 1vs8 h LYS 40 Ca 0.00 0.01 0.38 0.00 -1.87 0.00 0.00 60.65 59.17 1vs8 h LYS 40 Cb 0.00 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.25 1vs8 h LYS 40 CO 0.00 -0.09 0.88 0.00 -0.57 0.00 0.00 179.45 179.67 1vs8 h ALA 41 N 0.69 2.87 0.00 3.86 0.00 -2.01 0.96 119.26 125.63 1vs8 h ALA 41 Ca 0.20 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1vs8 h ALA 41 Cb 0.54 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1vs8 h ALA 41 CO -0.80 -1.34 -0.46 1.49 0.00 0.00 0.00 179.25 178.14 1vs8 h GLU 42 N 0.13 0.00 0.00 0.00 4.81 -1.09 -3.32 114.58 115.11 1vs8 h GLU 42 Ca 0.70 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.86 1vs8 h GLU 42 Cb 2.36 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.74 1vs8 h GLU 42 CO -0.21 0.30 -0.28 0.82 -0.73 0.00 0.00 179.01 178.91 1vs8 h ILE 43 N 0.00 1.55 -0.82 2.32 1.08 0.12 -2.98 117.51 118.79 1vs8 h ILE 43 Ca -0.02 -1.99 0.08 0.00 -0.39 0.00 0.00 64.86 62.54 1vs8 h ILE 43 Cb 1.26 2.80 -0.11 0.00 -3.07 0.00 0.00 36.82 37.70 1vs8 h ILE 43 CO 0.04 0.55 -0.58 0.50 -0.69 0.00 0.00 178.15 177.97 1vs8 h LYS 44 N -0.50 -0.12 -0.68 2.37 3.64 -1.33 0.61 116.57 120.57 1vs8 h LYS 44 Ca -0.04 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1vs8 h LYS 44 Cb 1.04 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1vs8 h LYS 44 CO 0.05 -0.08 0.13 0.00 -2.27 0.00 0.00 179.45 177.29 1vs8 h ALA 45 N 0.33 0.93 -0.74 5.00 0.00 -1.70 -1.59 119.26 121.49 1vs8 h ALA 45 Ca 0.13 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.91 1vs8 h ALA 45 Cb 0.47 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 1vs8 h ALA 45 CO -0.83 0.67 0.29 0.00 0.00 0.00 0.00 179.25 179.38 1vs8 h ALA 46 N 1.08 1.03 0.09 0.00 0.00 -0.80 0.25 119.26 120.92 1vs8 h ALA 46 Ca 0.21 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 1vs8 h ALA 46 Cb 0.42 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1vs8 h ALA 46 CO 0.01 -0.21 -0.83 -0.24 0.00 0.00 0.00 179.25 177.98 1vs8 h VAL 47 N 0.44 1.39 0.47 0.00 3.04 -0.91 -3.39 116.25 117.29 1vs8 h VAL 47 Ca 0.40 -2.42 -0.02 0.00 -1.01 0.00 0.00 66.70 63.65 1vs8 h VAL 47 Cb 0.60 3.02 0.00 0.00 -2.01 0.00 0.00 31.29 32.91 1vs8 h VAL 47 CO -0.39 0.65 -0.23 0.06 -1.01 0.00 0.00 177.57 176.65 1vs8 h GLN 48 N -0.56 -0.61 -7.25 4.17 3.07 -1.13 -3.30 115.11 109.50 1vs8 h GLN 48 Ca -0.17 0.04 -0.51 0.00 0.09 0.00 0.00 58.65 58.10 1vs8 h GLN 48 Cb 1.50 0.14 0.10 0.00 0.08 0.00 0.00 27.48 29.29 1vs8 h GLN 48 CO 0.06 -0.32 0.36 0.15 0.09 0.00 0.00 178.83 179.17 1vs8 s LYS 49 N -5.19 2.79 0.00 0.06 1.02 0.88 -1.47 119.74 117.82 1vs8 s LYS 49 Ca -0.15 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.06 1vs8 s LYS 49 Cb 0.03 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 1vs8 s LYS 49 CO 0.56 -1.24 0.00 1.47 -0.92 0.00 0.00 175.35 175.22 1vs8 n LEU 50 N -2.74 0.00 -1.36 3.17 -0.00 -1.26 -4.01 117.00 110.80 1vs8 n LEU 50 Ca 0.09 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.22 1vs8 n LEU 50 Cb 0.53 0.00 0.32 0.00 -0.00 0.00 0.00 43.42 44.27 1vs8 n LEU 50 CO 0.50 0.00 0.78 0.33 -0.00 0.00 0.00 177.39 179.00 1vs8 n PHE 51 N 0.00 1.02 -2.30 1.47 7.35 -1.24 -5.03 117.46 118.73 1vs8 n PHE 51 Ca 0.00 -0.51 0.00 0.00 -0.76 0.00 0.00 57.45 56.18 1vs8 n PHE 51 Cb 0.00 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 39.80 1vs8 n PHE 51 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1vs8 n GLU 52 N 1.56 -0.35 0.00 -4.13 4.71 -0.54 -4.89 120.64 117.00 1vs8 n GLU 52 Ca 0.24 0.61 0.00 0.00 -0.01 0.00 0.00 57.16 58.00 1vs8 n GLU 52 Cb 0.65 -0.64 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1vs8 n GLU 52 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1vs8 n VAL 53 N 1.29 0.00 -3.25 2.62 0.24 -1.03 -4.89 118.33 113.31 1vs8 n VAL 53 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 1vs8 n VAL 53 Cb 0.26 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.64 1vs8 n VAL 53 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1vs8 n GLU 54 N -0.80 -1.73 -1.00 7.34 4.71 -1.26 -4.75 120.64 123.16 1vs8 n GLU 54 Ca 0.00 1.47 -0.02 0.00 -0.01 0.00 0.00 57.16 58.60 1vs8 n GLU 54 Cb 0.00 -4.35 0.01 0.00 -1.01 0.00 0.00 31.44 26.09 1vs8 n GLU 54 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1vs8 n VAL 55 N -1.37 0.00 -3.55 2.62 3.14 -1.26 -4.25 118.33 113.66 1vs8 n VAL 55 Ca -0.06 -0.16 -0.01 0.00 -2.96 0.00 0.00 64.34 61.15 1vs8 n VAL 55 Cb 0.57 -1.13 -0.05 0.00 -1.06 0.00 0.00 33.84 32.17 1vs8 n VAL 55 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1vs8 s GLU 56 N -2.41 0.43 0.46 1.45 2.12 -1.26 -4.82 118.70 114.67 1vs8 s GLU 56 Ca 0.06 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.31 1vs8 s GLU 56 Cb -0.00 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1vs8 s GLU 56 CO 0.04 -0.12 0.00 1.33 -0.54 0.00 0.00 175.26 175.97 1vs8 n VAL 57 N 4.62 -2.53 -0.70 3.70 0.24 -1.26 -4.42 118.33 117.98 1vs8 n VAL 57 Ca -0.14 1.23 0.00 0.00 -2.04 0.00 0.00 64.34 63.40 1vs8 n VAL 57 Cb 0.54 -2.00 0.00 0.00 -1.47 0.00 0.00 33.84 30.91 1vs8 n VAL 57 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1vs8 n VAL 58 N -2.23 0.00 0.04 3.34 0.31 -1.26 -3.97 118.33 114.56 1vs8 n VAL 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vs8 n VAL 58 Cb 0.34 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 1vs8 n VAL 58 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1vs8 n ASN 59 N 0.00 -0.66 -1.22 4.52 5.03 -1.26 -4.83 115.26 116.84 1vs8 n ASN 59 Ca 0.00 0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.59 1vs8 n ASN 59 Cb 0.00 1.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.78 1vs8 n ASN 59 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1vs8 n THR 60 N -2.63 -2.51 0.00 3.41 -2.24 -1.23 -4.99 114.28 104.09 1vs8 n THR 60 Ca 0.00 1.22 0.00 0.00 -2.27 0.00 0.00 64.05 63.00 1vs8 n THR 60 Cb 0.00 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.26 1vs8 n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1vs8 n LEU 61 N -2.20 0.00 0.00 3.22 4.77 0.16 -4.92 117.00 118.03 1vs8 n LEU 61 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1vs8 n LEU 61 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1vs8 n LEU 61 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.39 177.39 1vs8 n VAL 62 N 0.00 0.00 -0.59 4.08 0.24 -1.26 -4.42 118.33 116.38 1vs8 n VAL 62 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vs8 n VAL 62 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1vs8 n VAL 62 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1vs8 n VAL 63 N -1.70 -2.55 0.00 3.34 0.31 -1.26 -2.45 118.33 114.03 1vs8 n VAL 63 Ca 0.00 0.86 0.00 0.00 -0.01 0.00 0.00 64.34 65.19 1vs8 n VAL 63 Cb 0.00 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1vs8 n VAL 63 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1vs8 n LYS 64 N -0.50 0.00 0.00 5.55 4.01 -1.26 -2.30 118.16 123.66 1vs8 n LYS 64 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1vs8 n LYS 64 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1vs8 n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vs8 n GLY 65 N 5.00 -0.94 0.69 0.72 0.00 -1.26 -3.68 105.19 105.72 1vs8 n GLY 65 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1vs8 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vs8 n LYS 66 N 0.00 -1.40 0.00 1.61 0.00 -1.18 -4.96 118.16 112.24 1vs8 n LYS 66 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 58.31 59.49 1vs8 n LYS 66 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 33.95 1vs8 n LYS 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1vs8 n VAL 67 N 0.12 0.00 -2.67 3.15 0.31 -1.26 -4.96 118.33 113.03 1vs8 n VAL 67 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1vs8 n VAL 67 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 1vs8 n VAL 67 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1vs8 s LYS 68 N 2.41 0.01 0.00 5.55 2.20 -1.26 -4.32 119.74 124.33 1vs8 s LYS 68 Ca 0.00 -0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1vs8 s LYS 68 Cb 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1vs8 s LYS 68 CO 0.00 -0.02 0.45 0.54 -0.36 0.00 0.00 175.35 175.96 1vs8 n ARG 69 N 3.54 0.00 0.00 4.03 1.74 -1.26 -4.93 116.66 119.78 1vs8 n ARG 69 Ca 0.04 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1vs8 n ARG 69 Cb 0.65 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 1vs8 n ARG 69 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1vs8 n HIS 70 N -1.46 -1.98 0.00 -1.55 -0.00 -1.26 -5.02 115.22 103.94 1vs8 n HIS 70 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1vs8 n HIS 70 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1vs8 n HIS 70 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1vs8 n GLY 71 N 2.81 -0.94 3.87 1.57 0.00 -1.26 -4.91 105.19 106.33 1vs8 n GLY 71 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1vs8 n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vs8 s GLN 72 N 0.00 2.42 0.00 1.61 -0.21 -1.26 -4.84 119.66 117.38 1vs8 s GLN 72 Ca 0.00 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 53.69 1vs8 s GLN 72 Cb 0.00 -2.28 0.00 0.00 1.00 0.00 0.00 33.01 31.73 1vs8 s GLN 72 CO 0.00 -0.31 0.00 0.54 -2.12 0.00 0.00 175.29 173.40 1vs8 n ARG 73 N -1.59 0.00 -1.59 2.91 3.00 -1.26 -4.90 116.66 113.22 1vs8 n ARG 73 Ca 0.02 0.00 -0.63 0.00 -0.01 0.00 0.00 57.85 57.23 1vs8 n ARG 73 Cb 0.63 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.99 1vs8 n ARG 73 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1vs8 n ILE 74 N 0.00 0.05 -3.84 0.55 2.08 -1.26 -4.91 119.36 112.03 1vs8 n ILE 74 Ca 0.00 -0.02 -0.03 0.00 0.56 0.00 0.00 62.75 63.26 1vs8 n ILE 74 Cb 0.00 -0.66 0.01 0.00 -0.75 0.00 0.00 39.64 38.24 1vs8 n ILE 74 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1vs8 s GLY 75 N 4.11 0.01 0.00 7.39 0.00 -1.26 -4.20 107.32 113.37 1vs8 s GLY 75 Ca 1.08 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.61 1vs8 s GLY 75 CO 0.74 1.70 0.00 -0.96 0.00 0.00 0.00 173.10 174.57 1vs8 n ARG 76 N -0.63 0.00 -3.66 2.90 0.00 -1.26 -4.98 116.66 109.03 1vs8 n ARG 76 Ca -0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.66 1vs8 n ARG 76 Cb 0.60 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.98 1vs8 n ARG 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1vs8 s ARG 77 N 1.54 0.79 -0.04 2.89 3.52 -1.26 -3.08 118.95 123.31 1vs8 s ARG 77 Ca 0.00 0.20 -0.04 0.00 -0.13 0.00 0.00 55.73 55.76 1vs8 s ARG 77 Cb 0.00 0.37 -0.03 0.00 -1.56 0.00 0.00 34.95 33.73 1vs8 s ARG 77 CO 0.00 -0.21 -0.10 0.45 -0.81 0.00 0.00 175.30 174.63 1vs8 n SER 78 N 1.54 0.83 -2.07 -2.12 2.88 -1.26 -4.87 113.62 108.54 1vs8 n SER 78 Ca -0.19 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1vs8 n SER 78 Cb 0.56 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1vs8 n SER 78 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1vs8 n ASP 79 N -3.49 -8.17 0.00 -3.46 8.00 -1.24 -5.03 116.55 103.16 1vs8 n ASP 79 Ca -0.11 1.48 0.00 0.00 0.71 0.00 0.00 54.79 56.87 1vs8 n ASP 79 Cb 0.45 -4.44 0.00 0.00 -0.02 0.00 0.00 41.12 37.10 1vs8 n ASP 79 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1vs8 n TRP 80 N 1.51 0.00 -3.63 1.24 5.03 -0.97 -4.98 117.44 115.64 1vs8 n TRP 80 Ca 0.00 0.00 -0.04 0.00 3.03 0.00 0.00 57.50 60.49 1vs8 n TRP 80 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 31.31 30.22 1vs8 n TRP 80 CO 0.00 0.00 0.00 0.21 -0.03 0.00 0.00 177.69 177.87 1vs8 s LYS 81 N 3.24 0.50 -0.10 -0.99 2.20 -1.02 -4.44 119.74 119.12 1vs8 s LYS 81 Ca 0.00 0.90 -0.05 0.00 -0.36 0.00 0.00 55.97 56.45 1vs8 s LYS 81 Cb 0.00 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 1vs8 s LYS 81 CO 0.00 -0.11 0.11 0.21 -0.36 0.00 0.00 175.35 175.20 1vs8 s LYS 82 N 1.59 3.32 0.45 4.03 2.20 -1.26 -1.68 119.74 128.40 1vs8 s LYS 82 Ca -0.09 -0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.33 1vs8 s LYS 82 Cb -0.05 -3.08 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 1vs8 s LYS 82 CO -0.17 0.75 0.04 0.00 -0.36 0.00 0.00 175.35 175.61 1vs8 s ALA 83 N -1.03 3.52 0.00 3.13 0.00 -0.98 0.37 121.76 126.77 1vs8 s ALA 83 Ca 0.16 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1vs8 s ALA 83 Cb -0.12 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1vs8 s ALA 83 CO 0.05 -0.14 0.00 0.66 0.00 0.00 0.00 175.76 176.33 1vs8 n TYR 84 N -1.08 0.00 -0.25 0.00 0.53 -1.19 -4.14 117.16 111.04 1vs8 n TYR 84 Ca -0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.76 1vs8 n TYR 84 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.97 1vs8 n TYR 84 CO 0.00 0.00 0.00 1.33 -1.02 0.00 0.00 176.86 177.17 1vs8 n VAL 85 N 0.00 0.00 0.00 -0.72 0.24 -1.25 -2.91 118.33 113.69 1vs8 n VAL 85 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vs8 n VAL 85 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1vs8 n VAL 85 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1vs8 n THR 86 N 0.00 0.00 -1.53 3.34 -1.04 -1.25 -4.60 114.28 109.19 1vs8 n THR 86 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1vs8 n THR 86 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1vs8 n THR 86 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1vs8 n LEU 87 N -1.40 -2.12 -4.53 -4.42 4.77 -1.26 -1.21 117.00 106.84 1vs8 n LEU 87 Ca 0.00 0.06 -0.38 0.00 -0.03 0.00 0.00 56.01 55.65 1vs8 n LEU 87 Cb 0.00 -1.06 0.04 0.00 -2.33 0.00 0.00 43.42 40.07 1vs8 n LEU 87 CO 0.00 -0.10 0.27 1.17 -1.33 0.00 0.00 177.39 177.40 1vs8 n LYS 88 N 0.04 0.71 0.00 3.23 3.00 -1.26 -4.41 118.16 119.47 1vs8 n LYS 88 Ca -0.01 0.27 0.05 0.00 -0.00 0.00 0.00 58.31 58.63 1vs8 n LYS 88 Cb 0.02 -1.88 0.26 0.00 0.00 0.00 0.00 35.03 33.43 1vs8 n LYS 88 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1vs8 n GLU 89 N -0.33 0.12 -0.08 1.64 0.00 -1.26 -2.98 120.64 117.74 1vs8 n GLU 89 Ca 0.12 0.22 -0.10 0.00 0.00 0.00 0.00 57.16 57.40 1vs8 n GLU 89 Cb 0.46 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.36 1vs8 n GLU 89 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1vs8 h GLY 90 N 1.80 0.00 -7.70 -1.84 0.00 -1.99 -3.42 103.07 89.92 1vs8 h GLY 90 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 1vs8 h GLY 90 CO 0.00 0.00 1.81 1.20 0.00 0.00 0.00 176.54 179.55 1vs8 s GLN 91 N -2.24 3.95 0.00 4.80 -0.21 -1.16 -4.98 119.66 119.82 1vs8 s GLN 91 Ca -0.18 -2.03 0.00 0.00 0.02 0.00 0.00 55.36 53.16 1vs8 s GLN 91 Cb 0.03 -5.35 0.00 0.00 1.00 0.00 0.00 33.01 28.69 1vs8 s GLN 91 CO 0.32 -2.09 0.00 0.09 -2.12 0.00 0.00 175.29 171.49 1vs8 n ASN 92 N 7.62 -0.73 0.00 5.90 4.13 -1.26 -4.49 115.26 126.42 1vs8 n ASN 92 Ca 0.42 -0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1vs8 n ASN 92 Cb 0.46 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 1vs8 n ASN 92 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1vs8 n LEU 93 N 0.00 0.00 -2.86 3.41 4.32 -1.26 -4.82 117.00 115.80 1vs8 n LEU 93 Ca 0.00 -0.01 -0.22 0.00 -0.02 0.00 0.00 56.01 55.76 1vs8 n LEU 93 Cb 0.00 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.82 1vs8 n LEU 93 CO 0.00 0.07 -0.08 -0.67 -1.22 0.00 0.00 177.39 175.48 1vs8 n ASP 94 N 0.00 -5.77 0.00 -1.43 -0.08 -1.26 -4.48 116.55 103.54 1vs8 n ASP 94 Ca 0.00 -0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1vs8 n ASP 94 Cb 0.28 -4.71 0.00 0.00 2.34 0.00 0.00 41.12 39.03 1vs8 n ASP 94 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1vs8 n PHE 95 N -4.28 0.00 -0.46 -0.67 -0.00 -1.26 -4.69 117.46 106.10 1vs8 n PHE 95 Ca -0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.29 1vs8 n PHE 95 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 40.09 1vs8 n PHE 95 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1vs8 n VAL 96 N 0.00 1.73 -4.56 -2.13 0.24 -1.26 -4.82 118.33 107.54 1vs8 n VAL 96 Ca 0.00 -0.51 -0.27 0.00 -2.04 0.00 0.00 64.34 61.52 1vs8 n VAL 96 Cb 0.00 -1.47 -0.08 0.00 -1.47 0.00 0.00 33.84 30.82 1vs8 n VAL 96 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1vs8 s GLY 97 N 2.02 2.64 0.00 7.63 0.00 -1.26 -5.13 107.32 113.22 1vs8 s GLY 97 Ca 0.07 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1vs8 s GLY 97 CO 0.00 -1.91 0.00 0.61 0.00 0.00 0.00 173.10 171.80 1vs8 n GLY 98 N -0.96 1.76 0.32 0.20 0.00 -1.26 -5.20 105.19 100.06 1vs8 n GLY 98 Ca -0.08 0.30 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1vs8 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32