#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 n ILE 2 N 0.00 2.62 -0.10 1.12 2.08 -1.26 -4.75 119.36 119.07 1vs6 n ILE 2 Ca 0.00 -5.36 -0.13 0.00 0.56 0.00 0.00 62.75 57.82 1vs6 n ILE 2 Cb 0.00 -1.80 -0.11 0.00 -0.75 0.00 0.00 39.64 36.98 1vs6 n ILE 2 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1vs6 n ARG 3 N 0.39 0.73 -1.59 0.38 0.00 -1.26 -4.82 116.66 110.49 1vs6 n ARG 3 Ca 0.30 0.09 -0.14 0.00 -0.00 0.00 0.00 57.85 58.10 1vs6 n ARG 3 Cb 0.40 -1.43 -0.09 0.00 0.00 0.00 0.00 32.46 31.35 1vs6 n ARG 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1vs6 s GLU 4 N -2.42 1.45 0.26 -0.14 2.12 -1.26 -3.39 118.70 115.31 1vs6 s GLU 4 Ca -0.23 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1vs6 s GLU 4 Cb 0.07 -4.87 0.00 0.00 0.26 0.00 0.00 34.13 29.59 1vs6 s GLU 4 CO 0.55 -4.85 0.00 -0.85 -0.54 0.00 0.00 175.26 169.57 1vs6 n GLU 5 N 8.57 0.00 0.00 4.30 0.00 -1.26 -5.00 120.64 127.26 1vs6 n GLU 5 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.61 1vs6 n GLU 5 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.89 1vs6 n GLU 5 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1vs6 n ARG 6 N -3.09 0.00 0.11 3.44 1.85 -1.22 -4.96 116.66 112.79 1vs6 n ARG 6 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.88 1vs6 n ARG 6 Cb 0.00 0.00 0.18 0.00 -1.05 0.00 0.00 32.46 31.59 1vs6 n ARG 6 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1vs6 n LEU 7 N 0.00 0.17 0.13 2.89 7.94 -1.22 -1.58 117.00 125.32 1vs6 n LEU 7 Ca 0.00 0.39 -0.13 0.00 -1.11 0.00 0.00 56.01 55.16 1vs6 n LEU 7 Cb 0.00 -0.32 -0.06 0.00 0.53 0.00 0.00 43.42 43.57 1vs6 n LEU 7 CO 0.00 -0.45 0.65 -0.07 -1.11 0.00 0.00 177.39 176.41 1vs6 h LEU 8 N 0.00 -0.93 -5.92 -1.96 3.38 -1.93 -3.36 115.31 104.59 1vs6 h LEU 8 Ca 0.00 0.10 -0.53 0.00 0.09 0.00 0.00 57.88 57.54 1vs6 h LEU 8 Cb 0.73 0.35 -0.40 0.00 0.09 0.00 0.00 40.66 41.43 1vs6 h LEU 8 CO 0.00 -0.42 -1.03 0.29 0.09 0.00 0.00 178.44 177.37 1vs6 n LYS 9 N -5.42 1.36 0.05 1.13 5.02 -0.62 -4.86 118.16 114.82 1vs6 n LYS 9 Ca -0.07 -3.66 0.12 0.00 -2.02 0.00 0.00 58.31 52.67 1vs6 n LYS 9 Cb 0.33 -1.68 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 1vs6 n LYS 9 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1vs6 n VAL 10 N 0.63 0.32 -4.28 -0.18 0.24 -1.24 -4.76 118.33 109.06 1vs6 n VAL 10 Ca 0.25 -0.33 -0.21 0.00 -2.04 0.00 0.00 64.34 62.01 1vs6 n VAL 10 Cb 0.56 -0.03 -0.11 0.00 -1.47 0.00 0.00 33.84 32.78 1vs6 n VAL 10 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1vs6 s LEU 11 N -4.37 2.39 -0.29 1.34 0.05 -1.26 -3.15 118.68 113.38 1vs6 s LEU 11 Ca 0.03 -0.79 -0.28 0.00 0.05 0.00 0.00 54.13 53.14 1vs6 s LEU 11 Cb 0.13 -0.73 0.20 0.00 -2.05 0.00 0.00 46.19 43.73 1vs6 s LEU 11 CO 0.78 -0.05 1.40 0.00 -0.55 0.00 0.00 176.35 177.93 1vs6 s ARG 12 N -2.49 0.04 0.40 1.48 1.70 -1.26 -4.91 118.95 113.90 1vs6 s ARG 12 Ca 0.10 0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.38 1vs6 s ARG 12 Cb -0.07 0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.33 1vs6 s ARG 12 CO 0.05 -0.01 0.00 0.00 -1.08 0.00 0.00 175.30 174.26 1vs6 n ALA 13 N 0.83 -1.95 -1.00 7.88 0.00 -1.26 0.49 120.51 125.50 1vs6 n ALA 13 Ca -0.03 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1vs6 n ALA 13 Cb 0.58 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1vs6 n ALA 13 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vs6 n PRO 14 N 0.36 0.00 0.00 0.00 -0.02 -1.26 0.69 135.00 134.76 1vs6 n PRO 14 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1vs6 n PRO 14 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1vs6 n PRO 14 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1vs6 n HIS 15 N 0.00 0.00 -4.17 6.00 -0.00 -1.26 -3.24 115.22 112.54 1vs6 n HIS 15 Ca 0.00 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.83 1vs6 n HIS 15 Cb 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.79 1vs6 n HIS 15 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1vs6 n VAL 16 N -0.48 -0.26 -0.62 3.57 3.14 -1.26 -4.91 118.33 117.51 1vs6 n VAL 16 Ca 0.00 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 1vs6 n VAL 16 Cb 0.00 -0.57 0.00 0.00 -1.06 0.00 0.00 33.84 32.21 1vs6 n VAL 16 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1vs6 n SER 17 N -2.21 0.00 0.11 6.55 3.41 -1.26 -4.93 113.62 115.29 1vs6 n SER 17 Ca -0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.41 1vs6 n SER 17 Cb 0.46 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.28 1vs6 n SER 17 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1vs6 h GLU 18 N 0.00 0.40 -0.56 4.33 4.57 -2.05 -3.20 114.58 118.07 1vs6 h GLU 18 Ca 0.00 -0.64 0.05 0.00 -1.18 0.00 0.00 59.36 57.59 1vs6 h GLU 18 Cb 0.00 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 1vs6 h GLU 18 CO 0.00 1.29 0.37 0.87 -1.18 0.00 0.00 179.01 180.36 1vs6 h LYS 19 N 0.13 0.56 -6.94 1.92 1.79 -1.97 -3.36 116.57 108.71 1vs6 h LYS 19 Ca -0.17 -0.03 -0.53 0.00 -2.18 0.00 0.00 60.65 57.73 1vs6 h LYS 19 Cb 1.99 -0.13 0.09 0.00 -1.58 0.00 0.00 32.23 32.61 1vs6 h LYS 19 CO 0.23 0.37 0.70 0.00 -1.08 0.00 0.00 179.45 179.67 1vs6 s ALA 20 N -5.52 3.45 0.00 3.86 0.00 -1.21 -0.95 121.76 121.39 1vs6 s ALA 20 Ca -0.09 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1vs6 s ALA 20 Cb 0.19 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1vs6 s ALA 20 CO 0.75 -0.94 0.00 0.45 0.00 0.00 0.00 175.76 176.02 1vs6 n SER 21 N 0.38 0.00 0.07 0.00 2.88 -1.26 -4.47 113.62 111.22 1vs6 n SER 21 Ca 0.02 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.67 1vs6 n SER 21 Cb 0.41 -0.18 0.07 0.00 -0.75 0.00 0.00 64.21 63.76 1vs6 n SER 21 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1vs6 n THR 22 N -0.72 0.44 -1.71 2.46 -1.04 -1.09 -4.09 114.28 108.53 1vs6 n THR 22 Ca 0.00 -0.39 -0.33 0.00 -2.04 0.00 0.00 64.05 61.29 1vs6 n THR 22 Cb 0.00 -0.16 0.05 0.00 -1.82 0.00 0.00 70.33 68.40 1vs6 n THR 22 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vs6 n ALA 23 N -1.99 5.97 -3.95 2.41 0.00 -0.12 -4.89 120.51 117.93 1vs6 n ALA 23 Ca 0.02 -3.76 -0.30 0.00 0.00 0.00 0.00 53.44 49.39 1vs6 n ALA 23 Cb 0.49 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 1vs6 n ALA 23 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1vs6 s MET 24 N -3.80 1.66 0.00 0.00 -1.94 -1.26 -4.38 119.30 109.58 1vs6 s MET 24 Ca 0.58 -2.19 0.00 0.00 -1.71 0.00 0.00 55.69 52.37 1vs6 s MET 24 Cb 0.46 -3.14 0.00 0.00 2.01 0.00 0.00 34.83 34.16 1vs6 s MET 24 CO -0.10 -1.03 0.00 -1.91 -0.01 0.00 0.00 175.02 171.97 1vs6 n GLU 25 N 3.71 0.00 0.21 2.03 4.07 -1.26 -4.89 120.64 124.51 1vs6 n GLU 25 Ca 0.04 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.23 1vs6 n GLU 25 Cb 0.37 0.00 0.61 0.00 -0.06 0.00 0.00 31.44 32.36 1vs6 n GLU 25 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 1vs6 h LYS 26 N 0.00 0.07 -2.83 5.31 5.09 -1.96 -3.40 116.57 118.86 1vs6 h LYS 26 Ca 0.00 -0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.51 1vs6 h LYS 26 Cb 0.00 -0.02 -0.33 0.00 0.10 0.00 0.00 32.23 31.99 1vs6 h LYS 26 CO 0.00 0.05 -0.54 0.45 -2.09 0.00 0.00 179.45 177.32 1vs6 s SER 27 N -6.97 0.43 0.79 7.07 0.15 -1.26 -4.43 113.70 109.49 1vs6 s SER 27 Ca -0.05 0.52 -0.13 0.00 0.70 0.00 0.00 55.95 56.99 1vs6 s SER 27 Cb 0.17 0.67 0.07 0.00 -1.71 0.00 0.00 66.02 65.22 1vs6 s SER 27 CO 0.68 -0.25 1.16 0.20 1.20 0.00 0.00 173.24 176.23 1vs6 s ASN 28 N 2.41 3.93 0.00 5.45 0.02 -1.25 -4.80 114.94 120.70 1vs6 s ASN 28 Ca 0.02 2.18 0.00 0.00 -1.02 0.00 0.00 52.86 54.04 1vs6 s ASN 28 Cb -0.12 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.58 1vs6 s ASN 28 CO -0.09 -2.43 0.00 0.35 0.02 0.00 0.00 177.10 174.95 1vs6 n THR 29 N -3.30 0.00 -4.00 1.60 -2.24 -1.26 -2.81 114.28 102.26 1vs6 n THR 29 Ca 0.12 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.93 1vs6 n THR 29 Cb 0.51 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.76 1vs6 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vs6 n ILE 30 N 0.00 0.00 0.05 2.28 0.13 0.11 -4.82 119.36 117.11 1vs6 n ILE 30 Ca 0.00 -0.12 0.00 0.00 -1.10 0.00 0.00 62.75 61.53 1vs6 n ILE 30 Cb 0.00 0.52 0.00 0.00 -0.84 0.00 0.00 39.64 39.32 1vs6 n ILE 30 CO 0.00 0.00 0.00 1.33 2.80 0.00 0.00 176.55 180.68 1vs6 n VAL 31 N -0.86 0.30 -1.93 9.51 0.24 -1.17 -3.59 118.33 120.83 1vs6 n VAL 31 Ca 0.04 0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 1vs6 n VAL 31 Cb 0.53 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 1vs6 n VAL 31 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1vs6 n LEU 32 N -3.00 -3.99 -1.23 1.34 4.32 -1.20 -1.52 117.00 111.71 1vs6 n LEU 32 Ca 0.00 2.51 0.00 0.00 -0.02 0.00 0.00 56.01 58.50 1vs6 n LEU 32 Cb 0.00 -2.61 0.00 0.00 -1.62 0.00 0.00 43.42 39.19 1vs6 n LEU 32 CO 0.00 -1.43 0.41 1.17 -1.22 0.00 0.00 177.39 176.31 1vs6 n LYS 33 N 1.82 0.61 -0.36 3.23 4.81 0.22 -3.67 118.16 124.82 1vs6 n LYS 33 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1vs6 n LYS 33 Cb 0.00 -1.20 -0.01 0.00 0.02 0.00 0.00 35.03 33.85 1vs6 n LYS 33 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1vs6 n VAL 34 N 1.03 0.46 -1.07 3.15 0.31 -1.20 -4.68 118.33 116.33 1vs6 n VAL 34 Ca 0.00 -0.13 -0.35 0.00 -0.01 0.00 0.00 64.34 63.85 1vs6 n VAL 34 Cb 0.30 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.31 1vs6 n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vs6 n ALA 35 N -0.04 -2.64 0.13 3.52 0.00 -1.19 -4.16 120.51 116.13 1vs6 n ALA 35 Ca 0.04 -0.42 0.13 0.00 0.00 0.00 0.00 53.44 53.19 1vs6 n ALA 35 Cb 0.07 -1.69 0.64 0.00 0.00 0.00 0.00 19.45 18.48 1vs6 n ALA 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1vs6 h LYS 36 N -0.83 0.04 -2.56 0.00 3.11 -1.87 -3.31 116.57 111.15 1vs6 h LYS 36 Ca -0.44 -0.00 -0.60 0.00 -2.81 0.00 0.00 60.65 56.80 1vs6 h LYS 36 Cb 1.33 -0.01 -0.39 0.00 -1.00 0.00 0.00 32.23 32.16 1vs6 h LYS 36 CO 0.37 0.03 -0.87 0.16 -2.81 0.00 0.00 179.45 176.32 1vs6 s ASP 37 N -6.67 2.36 -0.01 4.20 3.84 -1.26 -4.88 116.67 114.26 1vs6 s ASP 37 Ca -0.05 -3.15 0.02 0.00 -0.00 0.00 0.00 52.55 49.37 1vs6 s ASP 37 Cb 0.18 -0.72 -0.03 0.00 -1.38 0.00 0.00 42.92 40.97 1vs6 s ASP 37 CO 0.70 -0.17 0.04 0.00 -0.00 0.00 0.00 175.17 175.74 1vs6 n ALA 38 N 2.78 2.05 -1.20 2.11 0.00 -1.25 -5.09 120.51 119.91 1vs6 n ALA 38 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1vs6 n ALA 38 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1vs6 n ALA 38 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vs6 n THR 39 N -1.68 -2.61 -0.06 0.00 -2.24 -1.26 -3.87 114.28 102.56 1vs6 n THR 39 Ca -0.01 1.25 -0.08 0.00 -2.27 0.00 0.00 64.05 62.94 1vs6 n THR 39 Cb 0.16 -1.98 -0.02 0.00 -2.10 0.00 0.00 70.33 66.40 1vs6 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1vs6 h LYS 40 N 0.35 0.01 -0.04 -0.78 1.57 -1.97 -1.95 116.57 113.76 1vs6 h LYS 40 Ca 0.00 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1vs6 h LYS 40 Cb 0.59 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1vs6 h LYS 40 CO 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 179.45 178.80 1vs6 h ALA 41 N 1.25 -0.44 -0.96 3.86 0.00 -1.99 0.18 119.26 121.15 1vs6 h ALA 41 Ca 0.12 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.27 1vs6 h ALA 41 Cb 0.18 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1vs6 h ALA 41 CO -0.25 -0.47 0.64 0.93 0.00 0.00 0.00 179.25 180.10 1vs6 h GLU 42 N -0.07 0.30 -0.08 0.00 5.08 -1.65 0.28 114.58 118.43 1vs6 h GLU 42 Ca 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1vs6 h GLU 42 Cb 0.10 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1vs6 h GLU 42 CO -0.08 0.20 0.02 0.82 -1.00 0.00 0.00 179.01 178.98 1vs6 h ILE 43 N 0.31 1.18 -0.45 3.13 1.08 -0.36 0.22 117.51 122.62 1vs6 h ILE 43 Ca 0.51 -0.54 0.08 0.00 -0.39 0.00 0.00 64.86 64.52 1vs6 h ILE 43 Cb 1.43 1.39 -0.07 0.00 -3.07 0.00 0.00 36.82 36.50 1vs6 h ILE 43 CO -0.17 0.15 0.06 0.50 -0.69 0.00 0.00 178.15 178.00 1vs6 h LYS 44 N -0.07 0.18 0.00 2.37 3.64 0.14 -0.63 116.57 122.20 1vs6 h LYS 44 Ca 0.03 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1vs6 h LYS 44 Cb 0.22 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1vs6 h LYS 44 CO -0.00 0.12 -0.55 0.00 -2.27 0.00 0.00 179.45 176.75 1vs6 h ALA 45 N 1.37 1.02 0.06 5.00 0.00 -1.34 -3.18 119.26 122.18 1vs6 h ALA 45 Ca 0.23 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1vs6 h ALA 45 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1vs6 h ALA 45 CO -0.33 0.68 -0.03 0.00 0.00 0.00 0.00 179.25 179.58 1vs6 h ALA 46 N 1.45 -0.08 0.00 0.00 0.00 0.93 -1.11 119.26 120.45 1vs6 h ALA 46 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vs6 h ALA 46 Cb 1.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1vs6 h ALA 46 CO 0.07 -0.53 0.00 0.28 0.00 0.00 0.00 179.25 179.07 1vs6 n VAL 47 N -5.11 0.31 0.00 0.00 0.31 -0.61 -3.19 118.33 110.05 1vs6 n VAL 47 Ca -0.08 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vs6 n VAL 47 Cb 0.07 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 1vs6 n VAL 47 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1vs6 n GLN 48 N -1.15 0.00 -0.31 5.55 -0.06 -0.43 -3.48 117.38 117.50 1vs6 n GLN 48 Ca 0.09 0.17 0.09 0.00 -2.00 0.00 0.00 57.00 55.35 1vs6 n GLN 48 Cb 0.09 -0.64 0.20 0.00 -4.06 0.00 0.00 30.24 25.83 1vs6 n GLN 48 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1vs6 h LYS 49 N 0.00 0.05 -6.35 3.69 1.79 -1.61 -3.18 116.57 110.97 1vs6 h LYS 49 Ca 0.00 -0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.02 1vs6 h LYS 49 Cb 0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1vs6 h LYS 49 CO 0.00 0.03 -0.31 -0.51 -1.08 0.00 0.00 179.45 177.58 1vs6 s LEU 50 N -10.95 3.63 0.00 2.94 2.01 -1.19 -4.40 118.68 110.72 1vs6 s LEU 50 Ca -0.13 -0.47 0.00 0.00 0.01 0.00 0.00 54.13 53.53 1vs6 s LEU 50 Cb 0.26 -2.50 0.00 0.00 0.01 0.00 0.00 46.19 43.95 1vs6 s LEU 50 CO 0.77 -0.67 0.00 0.49 1.01 0.00 0.00 176.35 177.95 1vs6 n PHE 51 N -1.73 0.00 -3.86 0.29 0.99 -1.26 -4.20 117.46 107.70 1vs6 n PHE 51 Ca 0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.26 1vs6 n PHE 51 Cb 0.60 -0.11 0.00 0.00 -1.00 0.00 0.00 39.48 38.97 1vs6 n PHE 51 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1vs6 n GLU 52 N -0.47 -4.06 -4.26 -1.08 1.02 -1.20 -4.99 120.64 105.60 1vs6 n GLU 52 Ca 0.00 0.50 -0.22 0.00 -0.02 0.00 0.00 57.16 57.42 1vs6 n GLU 52 Cb 0.00 -4.86 -0.12 0.00 -0.02 0.00 0.00 31.44 26.44 1vs6 n GLU 52 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1vs6 s VAL 53 N -3.79 1.58 -0.59 2.62 -7.23 -1.23 -5.09 120.40 106.67 1vs6 s VAL 53 Ca 0.06 -1.55 -0.23 0.00 -1.81 0.00 0.00 61.98 58.45 1vs6 s VAL 53 Cb -0.03 -1.49 0.05 0.00 0.56 0.00 0.00 36.38 35.47 1vs6 s VAL 53 CO 0.86 -0.15 0.93 -1.61 -0.31 0.00 0.00 175.10 174.82 1vs6 s GLU 54 N -2.03 3.24 0.06 4.82 2.02 -1.26 -4.46 118.70 121.08 1vs6 s GLU 54 Ca 0.06 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.24 1vs6 s GLU 54 Cb -0.09 -4.12 -0.05 0.00 0.10 0.00 0.00 34.13 29.97 1vs6 s GLU 54 CO 0.04 -1.60 0.97 0.08 0.02 0.00 0.00 175.26 174.78 1vs6 s VAL 55 N 3.93 4.64 -0.09 2.63 1.01 -1.26 -3.72 120.40 127.55 1vs6 s VAL 55 Ca 0.26 2.05 -0.03 0.00 0.00 0.00 0.00 61.98 64.27 1vs6 s VAL 55 Cb -0.14 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 1vs6 s VAL 55 CO 0.15 0.25 -0.05 -0.33 0.00 0.00 0.00 175.10 175.12 1vs6 h GLU 56 N 6.11 0.00 -3.88 2.72 4.39 -1.02 -3.47 114.58 119.43 1vs6 h GLU 56 Ca -0.42 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.07 1vs6 h GLU 56 Cb 1.21 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.80 1vs6 h GLU 56 CO 0.73 0.00 -0.11 0.14 -1.16 0.00 0.00 179.01 178.61 1vs6 s VAL 57 N -1.61 0.00 0.32 3.13 -7.23 -1.26 -4.96 120.40 108.79 1vs6 s VAL 57 Ca -0.04 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 1vs6 s VAL 57 Cb 0.01 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1vs6 s VAL 57 CO 0.06 0.00 0.12 -0.69 -0.31 0.00 0.00 175.10 174.28 1vs6 s VAL 58 N -3.05 0.58 0.07 1.32 1.01 -1.26 -0.36 120.40 118.71 1vs6 s VAL 58 Ca 0.27 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.25 1vs6 s VAL 58 Cb -0.01 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1vs6 s VAL 58 CO 0.17 0.00 0.00 0.59 0.00 0.00 0.00 175.10 175.86 1vs6 n ASN 59 N -0.88 -0.30 -1.46 3.32 3.02 -1.26 -4.83 115.26 112.88 1vs6 n ASN 59 Ca -0.01 0.13 0.18 0.00 -0.03 0.00 0.00 54.58 54.85 1vs6 n ASN 59 Cb 0.65 0.43 -0.08 0.00 -0.61 0.00 0.00 39.78 40.18 1vs6 n ASN 59 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1vs6 n THR 60 N -2.70 -0.28 0.00 3.41 -2.24 -1.26 -4.89 114.28 106.32 1vs6 n THR 60 Ca 0.00 0.63 0.00 0.00 -2.27 0.00 0.00 64.05 62.41 1vs6 n THR 60 Cb 0.00 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 1vs6 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vs6 n LEU 61 N -4.34 0.00 0.07 3.22 -0.00 -1.05 -4.93 117.00 109.97 1vs6 n LEU 61 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 1vs6 n LEU 61 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.11 1vs6 n LEU 61 CO 0.03 0.00 0.00 1.33 -0.00 0.00 0.00 177.39 178.75 1vs6 n VAL 62 N 0.00 0.00 -1.66 1.47 0.24 -1.26 -4.40 118.33 112.71 1vs6 n VAL 62 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vs6 n VAL 62 Cb 0.00 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 1vs6 n VAL 62 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1vs6 n VAL 63 N -2.87 -4.12 -4.29 3.34 3.14 -1.26 -2.49 118.33 109.78 1vs6 n VAL 63 Ca 0.00 1.90 -0.23 0.00 -2.96 0.00 0.00 64.34 63.05 1vs6 n VAL 63 Cb 0.00 -2.54 -0.12 0.00 -1.06 0.00 0.00 33.84 30.12 1vs6 n VAL 63 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1vs6 s LYS 64 N -2.61 1.13 0.00 1.45 -0.14 -1.26 -2.56 119.74 115.76 1vs6 s LYS 64 Ca 0.00 -1.19 0.00 0.00 -1.36 0.00 0.00 55.97 53.42 1vs6 s LYS 64 Cb 0.00 -1.36 0.00 0.00 -1.68 0.00 0.00 37.83 34.79 1vs6 s LYS 64 CO 0.00 0.31 0.00 0.41 -0.76 0.00 0.00 175.35 175.31 1vs6 n GLY 65 N 0.96 1.53 0.03 -3.33 0.00 -1.26 -4.85 105.19 98.28 1vs6 n GLY 65 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1vs6 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vs6 n LYS 66 N 0.00 -0.09 0.00 1.61 3.00 -1.25 -4.87 118.16 116.55 1vs6 n LYS 66 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1vs6 n LYS 66 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 35.03 34.96 1vs6 n LYS 66 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1vs6 n VAL 67 N -0.71 0.00 -3.57 3.15 3.14 -0.95 -4.90 118.33 114.48 1vs6 n VAL 67 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 1vs6 n VAL 67 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1vs6 n VAL 67 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1vs6 s LYS 68 N -1.88 3.92 -0.29 1.45 0.00 -1.26 -1.47 119.74 120.21 1vs6 s LYS 68 Ca 0.00 0.23 -0.16 0.00 0.00 0.00 0.00 55.97 56.05 1vs6 s LYS 68 Cb 0.00 -3.27 0.16 0.00 0.00 0.00 0.00 37.83 34.72 1vs6 s LYS 68 CO 0.00 0.58 1.03 0.50 0.00 0.00 0.00 175.35 177.46 1vs6 s ARG 69 N -0.62 0.29 0.02 1.78 3.00 -1.23 -4.76 118.95 117.44 1vs6 s ARG 69 Ca 0.20 0.58 -0.15 0.00 -1.00 0.00 0.00 55.73 55.36 1vs6 s ARG 69 Cb -0.15 0.18 0.05 0.00 0.00 0.00 0.00 34.95 35.03 1vs6 s ARG 69 CO 0.09 -0.07 0.69 1.58 0.00 0.00 0.00 175.30 177.59 1vs6 n HIS 70 N 4.08 -0.51 0.30 5.12 -0.00 -1.26 -0.31 115.22 122.64 1vs6 n HIS 70 Ca -0.15 -0.51 0.17 0.00 0.46 0.00 0.00 57.72 57.70 1vs6 n HIS 70 Cb 0.56 0.24 0.80 0.00 -0.12 0.00 0.00 29.99 31.47 1vs6 n HIS 70 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1vs6 h GLY 71 N 1.14 0.00 0.00 1.57 0.00 -2.02 -3.41 103.07 100.35 1vs6 h GLY 71 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1vs6 h GLY 71 CO 0.19 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.67 1vs6 n GLN 72 N -2.84 0.00 -3.04 4.80 6.02 -1.26 -5.11 117.38 115.95 1vs6 n GLN 72 Ca -0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 1vs6 n GLN 72 Cb 0.19 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.45 1vs6 n GLN 72 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1vs6 s ARG 73 N -1.61 0.37 0.00 -1.09 3.52 -1.26 -5.01 118.95 113.87 1vs6 s ARG 73 Ca 0.00 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 1vs6 s ARG 73 Cb 0.00 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.48 1vs6 s ARG 73 CO 0.00 -0.60 0.00 -0.89 -0.81 0.00 0.00 175.30 173.00 1vs6 n ILE 74 N 4.56 0.00 -0.88 4.11 2.08 -1.26 -4.96 119.36 123.01 1vs6 n ILE 74 Ca 0.08 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.42 1vs6 n ILE 74 Cb 0.59 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.46 1vs6 n ILE 74 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1vs6 n GLY 75 N 0.00 -3.37 0.00 7.39 0.00 0.58 -3.54 105.19 106.25 1vs6 n GLY 75 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1vs6 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs6 n ARG 76 N -2.57 0.11 0.00 1.61 1.74 -0.54 -4.64 116.66 112.37 1vs6 n ARG 76 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1vs6 n ARG 76 Cb 0.32 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 1vs6 n ARG 76 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1vs6 n ARG 77 N 0.00 1.91 0.05 5.56 0.63 -1.26 -2.24 116.66 121.31 1vs6 n ARG 77 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1vs6 n ARG 77 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1vs6 n ARG 77 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1vs6 n SER 78 N 0.00 -0.72 -1.03 6.15 7.64 -1.26 -4.45 113.62 119.95 1vs6 n SER 78 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1vs6 n SER 78 Cb 0.00 0.94 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 1vs6 n SER 78 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1vs6 n ASP 79 N -2.74 -5.54 0.00 6.43 5.75 -1.26 -4.88 116.55 114.31 1vs6 n ASP 79 Ca 0.00 1.22 0.00 0.00 -0.01 0.00 0.00 54.79 56.00 1vs6 n ASP 79 Cb 0.00 -2.97 0.00 0.00 -1.03 0.00 0.00 41.12 37.12 1vs6 n ASP 79 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1vs6 n TRP 80 N -2.19 0.00 0.00 2.11 8.01 -1.06 -4.90 117.44 119.42 1vs6 n TRP 80 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1vs6 n TRP 80 Cb 0.31 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.61 1vs6 n TRP 80 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1vs6 n LYS 81 N 0.00 0.00 -1.31 -0.99 4.81 -1.04 -4.61 118.16 115.02 1vs6 n LYS 81 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1vs6 n LYS 81 Cb 0.00 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.19 1vs6 n LYS 81 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1vs6 s LYS 82 N 0.00 1.07 -0.29 1.64 2.20 -1.26 -3.24 119.74 119.85 1vs6 s LYS 82 Ca 0.00 0.58 -0.03 0.00 -0.36 0.00 0.00 55.97 56.15 1vs6 s LYS 82 Cb 0.00 -1.81 0.19 0.00 -1.51 0.00 0.00 37.83 34.70 1vs6 s LYS 82 CO 0.00 -2.31 0.81 0.00 -0.36 0.00 0.00 175.35 173.49 1vs6 s ALA 83 N -3.05 -3.10 0.03 3.13 0.00 -0.58 -2.52 121.76 115.66 1vs6 s ALA 83 Ca 0.64 1.30 -0.21 0.00 0.00 0.00 0.00 51.96 53.69 1vs6 s ALA 83 Cb -0.17 -2.60 -0.11 0.00 0.00 0.00 0.00 23.12 20.23 1vs6 s ALA 83 CO 0.56 -1.83 1.19 1.88 0.00 0.00 0.00 175.76 177.56 1vs6 h TYR 84 N 7.73 -0.69 -4.16 0.00 -1.99 -1.72 -3.10 116.97 113.03 1vs6 h TYR 84 Ca -0.08 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1vs6 h TYR 84 Cb 1.18 0.23 0.00 0.00 2.00 0.00 0.00 36.73 40.14 1vs6 h TYR 84 CO 0.08 -0.43 -0.83 1.33 -0.00 0.00 0.00 178.16 178.30 1vs6 n VAL 85 N -4.22 -8.35 -2.98 -2.88 0.24 -1.26 0.03 118.33 98.92 1vs6 n VAL 85 Ca -0.09 2.66 -0.19 0.00 -2.04 0.00 0.00 64.34 64.68 1vs6 n VAL 85 Cb 0.30 -3.90 0.02 0.00 -1.47 0.00 0.00 33.84 28.78 1vs6 n VAL 85 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1vs6 s THR 86 N -1.18 3.16 0.00 3.34 -4.23 0.51 -2.24 115.64 115.00 1vs6 s THR 86 Ca 0.00 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1vs6 s THR 86 Cb 0.00 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1vs6 s THR 86 CO 0.00 -0.05 0.00 0.18 -0.54 0.00 0.00 174.62 174.21 1vs6 n LEU 87 N -1.97 0.00 0.00 4.79 7.99 -1.12 -1.03 117.00 125.66 1vs6 n LEU 87 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 1vs6 n LEU 87 Cb 0.59 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.90 1vs6 n LEU 87 CO 0.42 0.00 0.00 1.17 -1.51 0.00 0.00 177.39 177.47 1vs6 n LYS 88 N 0.00 0.00 0.08 3.23 4.81 -1.24 -3.12 118.16 121.91 1vs6 n LYS 88 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1vs6 n LYS 88 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1vs6 n LYS 88 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1vs6 n GLU 89 N 0.00 0.00 0.00 1.64 4.71 -1.26 -3.96 120.64 121.76 1vs6 n GLU 89 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1vs6 n GLU 89 Cb 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 31.44 30.39 1vs6 n GLU 89 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1vs6 n GLY 90 N 1.82 0.20 2.55 0.62 0.00 -1.26 -4.09 105.19 105.02 1vs6 n GLY 90 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1vs6 n GLY 90 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1vs6 s GLN 91 N -1.23 1.19 0.93 1.61 -2.07 -1.26 -5.12 119.66 113.71 1vs6 s GLN 91 Ca 0.00 -2.19 -0.16 0.00 -1.82 0.00 0.00 55.36 51.20 1vs6 s GLN 91 Cb 0.00 -1.90 0.24 0.00 -1.09 0.00 0.00 33.01 30.25 1vs6 s GLN 91 CO 0.00 -1.30 0.63 0.09 -1.32 0.00 0.00 175.29 173.38 1vs6 n ASN 92 N 2.99 -2.91 0.27 12.60 4.13 -1.26 -4.87 115.26 126.22 1vs6 n ASN 92 Ca 0.22 -0.70 0.13 0.00 1.68 0.00 0.00 54.58 55.91 1vs6 n ASN 92 Cb 0.42 -0.66 0.79 0.00 -1.54 0.00 0.00 39.78 38.78 1vs6 n ASN 92 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1vs6 h LEU 93 N 0.00 0.00 0.00 3.41 -0.00 -2.00 -3.47 115.31 113.25 1vs6 h LEU 93 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1vs6 h LEU 93 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 1vs6 h LEU 93 CO 0.16 0.07 0.00 0.47 -0.00 0.00 0.00 178.44 179.15 1vs6 n ASP 94 N -3.81 -0.58 -4.58 -0.43 9.92 -1.26 -4.15 116.55 111.66 1vs6 n ASP 94 Ca -0.02 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.84 1vs6 n ASP 94 Cb 0.17 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.62 1vs6 n ASP 94 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1vs6 s PHE 95 N 0.00 1.24 0.07 1.24 0.40 -1.26 -4.85 117.98 114.81 1vs6 s PHE 95 Ca 0.00 0.96 -0.28 0.00 -0.60 0.00 0.00 56.93 57.01 1vs6 s PHE 95 Cb 0.00 -3.83 0.09 0.00 0.51 0.00 0.00 43.02 39.79 1vs6 s PHE 95 CO 0.00 -3.23 1.10 0.54 0.70 0.00 0.00 175.22 174.33 1vs6 s VAL 96 N 9.69 0.00 -0.28 -0.44 0.11 -1.26 -5.14 120.40 123.08 1vs6 s VAL 96 Ca 0.94 -0.44 -0.07 0.00 -2.93 0.00 0.00 61.98 59.49 1vs6 s VAL 96 Cb -0.24 -1.92 -0.00 0.00 -1.53 0.00 0.00 36.38 32.68 1vs6 s VAL 96 CO 0.30 0.00 0.08 -0.83 -3.33 0.00 0.00 175.10 171.32 1vs6 s GLY 97 N -2.92 1.78 0.48 6.54 0.00 -1.26 -5.09 107.32 106.85 1vs6 s GLY 97 Ca 0.13 -1.35 -0.20 0.00 0.00 0.00 0.00 44.72 43.29 1vs6 s GLY 97 CO -0.01 0.61 1.01 -0.32 0.00 0.00 0.00 173.10 174.40 1vs6 s GLY 98 N 1.54 2.44 0.00 0.20 0.00 -1.26 -5.22 107.32 105.02 1vs6 s GLY 98 Ca 0.04 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.28 1vs6 s GLY 98 CO 0.03 0.83 0.00 0.00 0.00 0.00 0.00 173.10 173.96