#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 n ILE 2 N 0.00 3.50 0.37 1.12 2.08 -1.26 -4.44 119.36 120.74 2aw4 n ILE 2 Ca 0.00 -4.05 0.08 0.00 0.56 0.00 0.00 62.75 59.34 2aw4 n ILE 2 Cb 0.00 -1.22 0.37 0.00 -0.75 0.00 0.00 39.64 38.04 2aw4 n ILE 2 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 2aw4 n ARG 3 N -0.62 0.09 -1.64 0.38 0.63 -1.26 -4.63 116.66 109.61 2aw4 n ARG 3 Ca 0.55 0.38 -0.43 0.00 -0.92 0.00 0.00 57.85 57.43 2aw4 n ARG 3 Cb 0.37 -1.69 -0.03 0.00 0.45 0.00 0.00 32.46 31.56 2aw4 n ARG 3 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2aw4 s GLU 4 N -3.17 3.09 0.00 -0.14 2.12 -1.26 -4.21 118.70 115.12 2aw4 s GLU 4 Ca 0.04 1.94 0.00 0.00 0.36 0.00 0.00 54.97 57.31 2aw4 s GLU 4 Cb 0.08 -4.37 0.00 0.00 0.26 0.00 0.00 34.13 30.10 2aw4 s GLU 4 CO 0.28 -2.15 0.00 -0.85 -0.54 0.00 0.00 175.26 171.99 2aw4 n GLU 5 N 8.75 0.00 -0.96 4.30 0.00 -1.26 -4.98 120.64 126.49 2aw4 n GLU 5 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.45 2aw4 n GLU 5 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.88 2aw4 n GLU 5 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2aw4 n ARG 6 N 0.00 0.00 0.13 3.44 1.85 -1.26 -4.90 116.66 115.93 2aw4 n ARG 6 Ca 0.00 -1.13 0.04 0.00 -1.00 0.00 0.00 57.85 55.77 2aw4 n ARG 6 Cb 0.00 0.05 0.23 0.00 -1.05 0.00 0.00 32.46 31.69 2aw4 n ARG 6 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2aw4 n LEU 7 N 0.16 0.22 0.08 2.89 7.94 -1.26 -2.12 117.00 124.91 2aw4 n LEU 7 Ca -0.06 0.45 -0.16 0.00 -1.11 0.00 0.00 56.01 55.12 2aw4 n LEU 7 Cb 0.80 -0.37 -0.10 0.00 0.53 0.00 0.00 43.42 44.28 2aw4 n LEU 7 CO -0.05 -0.52 0.51 0.17 -1.11 0.00 0.00 177.39 176.38 2aw4 h LEU 8 N 0.00 -1.60 -5.88 -1.96 -0.00 -1.90 -3.36 115.31 100.61 2aw4 h LEU 8 Ca 0.00 0.17 -0.51 0.00 -0.00 0.00 0.00 57.88 57.54 2aw4 h LEU 8 Cb 0.73 0.60 -0.40 0.00 -0.00 0.00 0.00 40.66 41.58 2aw4 h LEU 8 CO 0.00 -0.53 -1.07 0.29 -0.00 0.00 0.00 178.44 177.13 2aw4 n LYS 9 N -5.40 1.39 0.02 0.17 5.02 -0.90 -4.86 118.16 113.60 2aw4 n LYS 9 Ca -0.08 -3.66 -0.09 0.00 -2.02 0.00 0.00 58.31 52.46 2aw4 n LYS 9 Cb 0.40 -1.75 -0.13 0.00 -0.02 0.00 0.00 35.03 33.52 2aw4 n LYS 9 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 2aw4 h VAL 10 N 1.56 1.27 -2.27 -0.18 -1.51 -1.71 -3.44 116.25 109.96 2aw4 h VAL 10 Ca 0.10 -3.03 -0.52 0.00 -1.23 0.00 0.00 66.70 62.02 2aw4 h VAL 10 Cb 0.86 2.65 -0.06 0.00 -2.13 0.00 0.00 31.29 32.61 2aw4 h VAL 10 CO 0.56 0.74 -0.56 -1.48 -1.23 0.00 0.00 177.57 175.61 2aw4 s LEU 11 N -6.47 3.66 0.00 4.19 0.05 -1.26 -2.19 118.68 116.66 2aw4 s LEU 11 Ca -0.03 -0.33 0.00 0.00 0.05 0.00 0.00 54.13 53.82 2aw4 s LEU 11 Cb 0.09 -2.20 0.00 0.00 -2.05 0.00 0.00 46.19 42.02 2aw4 s LEU 11 CO 0.83 -0.02 0.00 -2.11 -0.55 0.00 0.00 176.35 174.50 2aw4 n ARG 12 N -1.01 0.00 -1.69 1.48 1.85 -1.26 -4.90 116.66 111.13 2aw4 n ARG 12 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 2aw4 n ARG 12 Cb 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.99 2aw4 n ARG 12 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2aw4 n ALA 13 N -0.17 -1.77 -1.00 2.89 0.00 -1.26 -0.06 120.51 119.14 2aw4 n ALA 13 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2aw4 n ALA 13 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2aw4 n ALA 13 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2aw4 n PRO 14 N -0.33 0.00 0.00 0.00 -0.02 -1.26 -0.08 135.00 133.31 2aw4 n PRO 14 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2aw4 n PRO 14 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2aw4 n PRO 14 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2aw4 n HIS 15 N 0.00 0.00 -3.86 6.00 -0.00 -1.26 -3.52 115.22 112.57 2aw4 n HIS 15 Ca 0.00 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.94 2aw4 n HIS 15 Cb 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.80 2aw4 n HIS 15 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 2aw4 n VAL 16 N -0.70 -0.66 -2.08 3.57 3.14 -1.26 -4.89 118.33 115.45 2aw4 n VAL 16 Ca 0.00 -0.33 -0.09 0.00 -2.96 0.00 0.00 64.34 60.96 2aw4 n VAL 16 Cb 0.00 -0.71 0.05 0.00 -1.06 0.00 0.00 33.84 32.12 2aw4 n VAL 16 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2aw4 n SER 17 N -2.05 0.35 0.09 6.55 2.88 -1.26 -4.90 113.62 115.28 2aw4 n SER 17 Ca -0.21 -1.33 -0.01 0.00 -1.33 0.00 0.00 58.87 55.99 2aw4 n SER 17 Cb 0.50 -0.26 0.28 0.00 -0.75 0.00 0.00 64.21 63.98 2aw4 n SER 17 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2aw4 h GLU 18 N 0.00 0.27 -0.03 -1.46 4.57 -2.06 -1.77 114.58 114.10 2aw4 h GLU 18 Ca -0.13 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2aw4 h GLU 18 Cb 0.42 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2aw4 h GLU 18 CO 0.12 0.54 0.02 0.87 -1.18 0.00 0.00 179.01 179.38 2aw4 h LYS 19 N 0.24 0.00 -6.87 1.92 1.79 -1.98 -3.38 116.57 108.28 2aw4 h LYS 19 Ca 0.03 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.96 2aw4 h LYS 19 Cb 0.64 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.39 2aw4 h LYS 19 CO 0.05 0.00 0.80 0.00 -1.08 0.00 0.00 179.45 179.22 2aw4 n ALA 20 N -2.53 2.38 0.00 3.86 0.00 -0.67 -0.92 120.51 122.62 2aw4 n ALA 20 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2aw4 n ALA 20 Cb 0.12 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.14 2aw4 n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2aw4 n SER 21 N 1.12 0.00 0.09 0.00 7.64 -1.26 -4.50 113.62 116.71 2aw4 n SER 21 Ca 0.04 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.97 2aw4 n SER 21 Cb 0.38 -0.29 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 2aw4 n SER 21 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2aw4 h THR 22 N 0.00 0.38 -0.67 0.44 2.02 -1.63 -3.35 112.91 110.11 2aw4 h THR 22 Ca 0.00 -1.66 -0.38 0.00 0.77 0.00 0.00 66.41 65.14 2aw4 h THR 22 Cb 0.00 1.95 -0.20 0.00 -1.74 0.00 0.00 68.15 68.16 2aw4 h THR 22 CO 0.00 0.21 0.48 0.00 0.37 0.00 0.00 175.52 176.59 2aw4 n ALA 23 N -2.27 4.88 -3.97 6.16 0.00 -0.10 -4.86 120.51 120.35 2aw4 n ALA 23 Ca -0.03 -2.05 -0.31 0.00 0.00 0.00 0.00 53.44 51.04 2aw4 n ALA 23 Cb 0.71 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.65 2aw4 n ALA 23 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2aw4 s MET 24 N -2.31 1.75 0.00 0.00 -1.94 -1.26 -4.42 119.30 111.12 2aw4 s MET 24 Ca 0.40 -2.19 0.00 0.00 -1.71 0.00 0.00 55.69 52.19 2aw4 s MET 24 Cb 0.33 -3.30 0.00 0.00 2.01 0.00 0.00 34.83 33.87 2aw4 s MET 24 CO 0.05 -1.02 0.00 -1.91 -0.01 0.00 0.00 175.02 172.13 2aw4 n GLU 25 N 3.80 0.00 0.19 2.03 4.07 -1.26 -4.86 120.64 124.61 2aw4 n GLU 25 Ca 0.04 0.00 0.17 0.00 -0.06 0.00 0.00 57.16 57.31 2aw4 n GLU 25 Cb 0.38 0.00 0.81 0.00 -0.06 0.00 0.00 31.44 32.57 2aw4 n GLU 25 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 2aw4 h LYS 26 N 0.00 0.00 -2.63 5.31 5.09 -1.95 -3.40 116.57 118.99 2aw4 h LYS 26 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 60.65 60.50 2aw4 h LYS 26 Cb 0.00 0.00 -0.33 0.00 0.10 0.00 0.00 32.23 32.00 2aw4 h LYS 26 CO 0.00 0.00 -0.56 0.45 -2.09 0.00 0.00 179.45 177.25 2aw4 s SER 27 N -5.83 0.68 0.61 7.07 0.15 -1.25 -4.05 113.70 111.07 2aw4 s SER 27 Ca -0.05 0.27 -0.19 0.00 0.70 0.00 0.00 55.95 56.68 2aw4 s SER 27 Cb 0.16 0.65 -0.03 0.00 -1.71 0.00 0.00 66.02 65.08 2aw4 s SER 27 CO 0.56 -0.28 1.30 0.20 1.20 0.00 0.00 173.24 176.23 2aw4 s ASN 28 N 2.40 4.90 0.00 5.45 0.02 -1.25 -4.75 114.94 121.71 2aw4 s ASN 28 Ca 0.05 2.64 0.00 0.00 -1.02 0.00 0.00 52.86 54.52 2aw4 s ASN 28 Cb -0.14 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.51 2aw4 s ASN 28 CO -0.11 -1.81 0.00 0.35 0.02 0.00 0.00 177.10 175.56 2aw4 n THR 29 N -1.57 0.00 -3.42 1.60 -2.24 -1.26 -2.72 114.28 104.67 2aw4 n THR 29 Ca 0.14 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2aw4 n THR 29 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2aw4 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2aw4 n ILE 30 N 0.00 0.00 0.00 2.28 0.13 0.88 -4.87 119.36 117.78 2aw4 n ILE 30 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 62.75 61.60 2aw4 n ILE 30 Cb 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 39.64 38.86 2aw4 n ILE 30 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 2aw4 n VAL 31 N -0.05 0.00 -1.90 9.51 0.31 -1.16 -3.69 118.33 121.36 2aw4 n VAL 31 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2aw4 n VAL 31 Cb 0.04 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 2aw4 n VAL 31 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2aw4 n LEU 32 N -2.47 -5.76 -1.31 7.52 4.32 -1.23 -1.70 117.00 116.36 2aw4 n LEU 32 Ca 0.00 3.27 -0.04 0.00 -0.02 0.00 0.00 56.01 59.22 2aw4 n LEU 32 Cb 0.00 -3.24 0.02 0.00 -1.62 0.00 0.00 43.42 38.58 2aw4 n LEU 32 CO 0.00 -0.49 0.75 1.17 -1.22 0.00 0.00 177.39 177.61 2aw4 n LYS 33 N 0.36 1.20 -0.24 3.23 4.81 0.91 -3.60 118.16 124.84 2aw4 n LYS 33 Ca 0.00 -0.44 -0.08 0.00 -0.87 0.00 0.00 58.31 56.92 2aw4 n LYS 33 Cb 0.00 -1.17 -0.00 0.00 0.02 0.00 0.00 35.03 33.87 2aw4 n LYS 33 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2aw4 n VAL 34 N 0.54 0.27 -1.63 3.15 0.31 -1.19 -4.70 118.33 115.08 2aw4 n VAL 34 Ca 0.09 -0.09 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 2aw4 n VAL 34 Cb 0.62 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.61 2aw4 n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2aw4 n ALA 35 N -0.06 0.28 -0.37 3.52 0.00 -0.93 -4.19 120.51 118.76 2aw4 n ALA 35 Ca 0.03 0.01 0.34 0.00 0.00 0.00 0.00 53.44 53.82 2aw4 n ALA 35 Cb 0.05 -2.13 0.69 0.00 0.00 0.00 0.00 19.45 18.06 2aw4 n ALA 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2aw4 h LYS 36 N 0.52 0.10 -2.68 0.00 3.11 -1.87 -3.20 116.57 112.56 2aw4 h LYS 36 Ca -0.49 -0.01 -0.60 0.00 -2.81 0.00 0.00 60.65 56.75 2aw4 h LYS 36 Cb 1.36 -0.02 -0.39 0.00 -1.00 0.00 0.00 32.23 32.17 2aw4 h LYS 36 CO 0.51 0.07 -0.82 0.16 -2.81 0.00 0.00 179.45 176.56 2aw4 s ASP 37 N -4.99 2.83 0.00 4.20 3.84 -1.26 -4.86 116.67 116.42 2aw4 s ASP 37 Ca -0.06 -3.01 0.00 0.00 -0.00 0.00 0.00 52.55 49.48 2aw4 s ASP 37 Cb 0.25 -0.81 0.00 0.00 -1.38 0.00 0.00 42.92 40.98 2aw4 s ASP 37 CO 0.81 -0.19 0.18 0.00 -0.00 0.00 0.00 175.17 175.97 2aw4 n ALA 38 N 2.98 1.98 -1.20 2.11 0.00 -1.21 -5.08 120.51 120.10 2aw4 n ALA 38 Ca 0.21 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.58 2aw4 n ALA 38 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 2aw4 n ALA 38 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2aw4 n THR 39 N -0.55 0.00 -0.10 0.00 -2.24 -1.26 -3.74 114.28 106.38 2aw4 n THR 39 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 2aw4 n THR 39 Cb 0.01 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 67.89 2aw4 n THR 39 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2aw4 n LYS 40 N -3.13 0.54 -0.08 -0.78 5.02 -1.26 -3.84 118.16 114.63 2aw4 n LYS 40 Ca 0.01 0.51 -0.07 0.00 -2.02 0.00 0.00 58.31 56.73 2aw4 n LYS 40 Cb 0.35 -1.69 -0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2aw4 n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aw4 h ALA 41 N -0.71 0.01 -0.86 7.82 0.00 -2.00 0.18 119.26 123.70 2aw4 h ALA 41 Ca -0.29 0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.80 2aw4 h ALA 41 Cb 1.13 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 2aw4 h ALA 41 CO -0.18 -0.60 0.56 0.93 0.00 0.00 0.00 179.25 179.97 2aw4 h GLU 42 N -0.17 0.90 -0.16 0.00 5.08 -1.79 -1.37 114.58 117.07 2aw4 h GLU 42 Ca 0.16 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2aw4 h GLU 42 Cb 0.41 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2aw4 h GLU 42 CO -0.41 0.59 0.02 0.82 -1.00 0.00 0.00 179.01 179.04 2aw4 h ILE 43 N 0.92 1.23 -0.79 3.13 1.08 -1.17 0.24 117.51 122.15 2aw4 h ILE 43 Ca 0.37 -0.73 0.14 0.00 -0.39 0.00 0.00 64.86 64.25 2aw4 h ILE 43 Cb 0.26 1.40 -0.09 0.00 -3.07 0.00 0.00 36.82 35.32 2aw4 h ILE 43 CO -0.14 0.22 0.37 0.50 -0.69 0.00 0.00 178.15 178.40 2aw4 h LYS 44 N 0.05 0.52 0.01 2.37 3.64 0.17 -1.47 116.57 121.87 2aw4 h LYS 44 Ca 0.05 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.19 2aw4 h LYS 44 Cb 0.31 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2aw4 h LYS 44 CO 0.00 0.34 -0.93 0.00 -2.27 0.00 0.00 179.45 176.60 2aw4 h ALA 45 N 1.54 0.45 -0.29 5.00 0.00 -1.06 -3.23 119.26 121.68 2aw4 h ALA 45 Ca 0.43 -0.74 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2aw4 h ALA 45 Cb 0.62 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2aw4 h ALA 45 CO -0.37 0.91 -0.16 0.00 0.00 0.00 0.00 179.25 179.63 2aw4 h ALA 46 N 0.90 0.06 0.00 0.00 0.00 0.56 0.35 119.26 121.13 2aw4 h ALA 46 Ca -0.06 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2aw4 h ALA 46 Cb 1.57 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2aw4 h ALA 46 CO 0.15 -0.55 0.00 0.28 0.00 0.00 0.00 179.25 179.12 2aw4 n VAL 47 N -5.33 0.36 0.01 0.00 0.31 -1.06 -2.67 118.33 109.96 2aw4 n VAL 47 Ca 0.00 0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.41 2aw4 n VAL 47 Cb 0.24 -0.78 -0.00 0.00 -0.91 0.00 0.00 33.84 32.38 2aw4 n VAL 47 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2aw4 h GLN 48 N 0.00 -0.06 -0.62 5.55 5.75 -0.31 -3.27 115.11 122.16 2aw4 h GLN 48 Ca 0.00 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 2aw4 h GLN 48 Cb 0.14 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 2aw4 h GLN 48 CO 0.00 -0.04 0.36 0.87 -2.65 0.00 0.00 178.83 177.37 2aw4 h LYS 49 N -0.36 0.67 -6.43 1.69 1.57 -1.57 -3.32 116.57 108.82 2aw4 h LYS 49 Ca -0.01 -0.04 -0.44 0.00 -1.87 0.00 0.00 60.65 58.30 2aw4 h LYS 49 Cb 0.05 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.22 2aw4 h LYS 49 CO 0.01 0.45 -0.27 -0.51 -0.57 0.00 0.00 179.45 178.56 2aw4 s LEU 50 N -10.22 3.81 0.00 2.94 2.01 -1.09 -4.31 118.68 111.82 2aw4 s LEU 50 Ca -0.13 -0.16 0.00 0.00 0.01 0.00 0.00 54.13 53.85 2aw4 s LEU 50 Cb 0.15 -2.80 0.00 0.00 0.01 0.00 0.00 46.19 43.55 2aw4 s LEU 50 CO 0.75 -0.59 0.00 0.49 1.01 0.00 0.00 176.35 178.02 2aw4 n PHE 51 N -1.79 0.00 -4.18 0.29 3.01 -1.26 -4.17 117.46 109.35 2aw4 n PHE 51 Ca 0.02 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.16 2aw4 n PHE 51 Cb 0.58 -0.31 -0.06 0.00 -0.01 0.00 0.00 39.48 39.68 2aw4 n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2aw4 n GLU 52 N -0.98 -1.34 -4.49 -1.08 1.02 -1.25 -4.97 120.64 107.55 2aw4 n GLU 52 Ca 0.00 0.17 -0.24 0.00 -0.02 0.00 0.00 57.16 57.06 2aw4 n GLU 52 Cb 0.00 -3.63 -0.10 0.00 -0.02 0.00 0.00 31.44 27.69 2aw4 n GLU 52 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2aw4 s VAL 53 N -4.13 2.18 -0.41 2.62 -7.23 -1.23 -5.10 120.40 107.09 2aw4 s VAL 53 Ca 0.10 -2.25 -0.14 0.00 -1.81 0.00 0.00 61.98 57.88 2aw4 s VAL 53 Cb -0.05 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.43 2aw4 s VAL 53 CO 0.97 -0.29 0.30 -1.61 -0.31 0.00 0.00 175.10 174.15 2aw4 s GLU 54 N -3.60 2.93 -0.05 4.82 2.02 -1.26 -4.57 118.70 118.99 2aw4 s GLU 54 Ca 0.31 -1.09 -0.24 0.00 0.02 0.00 0.00 54.97 53.97 2aw4 s GLU 54 Cb 0.01 -3.95 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 2aw4 s GLU 54 CO 0.15 -0.79 0.71 0.08 0.02 0.00 0.00 175.26 175.43 2aw4 s VAL 55 N 1.65 4.99 -0.06 2.63 1.01 -1.26 -3.62 120.40 125.74 2aw4 s VAL 55 Ca 0.04 1.46 -0.01 0.00 0.00 0.00 0.00 61.98 63.48 2aw4 s VAL 55 Cb -0.20 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 2aw4 s VAL 55 CO 0.09 0.28 -0.02 -0.33 0.00 0.00 0.00 175.10 175.12 2aw4 h GLU 56 N 6.54 0.00 -4.18 2.72 4.39 -1.08 -3.48 114.58 119.49 2aw4 h GLU 56 Ca -0.42 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.13 2aw4 h GLU 56 Cb 1.20 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.71 2aw4 h GLU 56 CO 0.74 0.00 -0.47 0.08 -1.16 0.00 0.00 179.01 178.21 2aw4 s VAL 57 N -1.37 0.06 0.28 3.13 1.01 -1.25 -4.99 120.40 117.27 2aw4 s VAL 57 Ca -0.01 -1.69 0.06 0.00 0.00 0.00 0.00 61.98 60.34 2aw4 s VAL 57 Cb 0.00 -2.09 -0.06 0.00 0.00 0.00 0.00 36.38 34.24 2aw4 s VAL 57 CO 0.02 -0.26 -0.05 -0.69 0.00 0.00 0.00 175.10 174.12 2aw4 s VAL 58 N -4.04 1.62 0.00 2.92 1.01 -1.26 0.36 120.40 121.01 2aw4 s VAL 58 Ca 0.25 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 60.11 2aw4 s VAL 58 Cb 0.05 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2aw4 s VAL 58 CO 0.04 -0.29 0.00 0.59 0.00 0.00 0.00 175.10 175.44 2aw4 n ASN 59 N -0.58 0.00 -1.41 3.32 3.02 -1.26 -4.82 115.26 113.52 2aw4 n ASN 59 Ca -0.05 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.67 2aw4 n ASN 59 Cb 0.63 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.72 2aw4 n ASN 59 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2aw4 n THR 60 N -2.26 -0.72 0.00 3.41 -2.24 -1.26 -4.95 114.28 106.26 2aw4 n THR 60 Ca 0.00 0.83 0.00 0.00 -2.27 0.00 0.00 64.05 62.61 2aw4 n THR 60 Cb 0.00 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 2aw4 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2aw4 n LEU 61 N -4.29 0.00 0.00 3.22 -0.00 -0.95 -4.93 117.00 110.05 2aw4 n LEU 61 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 2aw4 n LEU 61 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 2aw4 n LEU 61 CO 0.04 0.00 -0.06 1.33 -0.00 0.00 0.00 177.39 178.69 2aw4 n VAL 62 N 0.00 0.00 -1.76 1.47 0.24 -1.26 -4.01 118.33 113.00 2aw4 n VAL 62 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2aw4 n VAL 62 Cb 0.00 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 2aw4 n VAL 62 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2aw4 n VAL 63 N -2.43 -4.82 -5.06 3.34 3.14 -1.26 -2.43 118.33 108.81 2aw4 n VAL 63 Ca 0.00 1.56 -0.31 0.00 -2.96 0.00 0.00 64.34 62.63 2aw4 n VAL 63 Cb 0.06 -2.37 -0.15 0.00 -1.06 0.00 0.00 33.84 30.33 2aw4 n VAL 63 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2aw4 s LYS 64 N -0.94 2.16 0.00 1.45 -0.14 -1.26 -2.31 119.74 118.69 2aw4 s LYS 64 Ca 0.00 -0.90 0.00 0.00 -1.36 0.00 0.00 55.97 53.71 2aw4 s LYS 64 Cb 0.00 -2.14 0.00 0.00 -1.68 0.00 0.00 37.83 34.01 2aw4 s LYS 64 CO 0.00 0.57 0.00 0.41 -0.76 0.00 0.00 175.35 175.57 2aw4 n GLY 65 N 2.19 -1.15 0.19 -3.33 0.00 -1.26 -4.84 105.19 96.99 2aw4 n GLY 65 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2aw4 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2aw4 n LYS 66 N 0.00 0.00 0.00 1.61 3.00 -1.26 -4.82 118.16 116.70 2aw4 n LYS 66 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 2aw4 n LYS 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2aw4 n LYS 66 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2aw4 n VAL 67 N 1.02 0.00 -3.82 3.15 3.14 -0.89 -4.87 118.33 116.06 2aw4 n VAL 67 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 2aw4 n VAL 67 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 2aw4 n VAL 67 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2aw4 s LYS 68 N -2.00 3.51 -0.29 1.45 0.00 -1.26 -0.36 119.74 120.79 2aw4 s LYS 68 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 55.97 55.75 2aw4 s LYS 68 Cb 0.00 -3.19 0.17 0.00 0.00 0.00 0.00 37.83 34.81 2aw4 s LYS 68 CO 0.00 0.76 1.05 0.50 0.00 0.00 0.00 175.35 177.66 2aw4 s ARG 69 N -1.08 0.27 -0.06 1.78 3.00 -1.25 -4.83 118.95 116.79 2aw4 s ARG 69 Ca 0.17 0.53 -0.31 0.00 -1.00 0.00 0.00 55.73 55.12 2aw4 s ARG 69 Cb -0.13 0.15 0.13 0.00 0.00 0.00 0.00 34.95 35.10 2aw4 s ARG 69 CO 0.06 -0.07 1.36 -1.58 0.00 0.00 0.00 175.30 175.07 2aw4 s HIS 70 N 1.60 -0.01 -0.17 5.12 2.46 -1.26 -0.72 115.29 122.30 2aw4 s HIS 70 Ca -0.07 -0.04 0.24 0.00 0.47 0.00 0.00 55.06 55.66 2aw4 s HIS 70 Cb -0.04 0.53 1.24 0.00 -0.13 0.00 0.00 32.58 34.18 2aw4 s HIS 70 CO -0.15 -0.14 1.72 0.78 -2.47 0.00 0.00 174.74 174.48 2aw4 h GLY 71 N 2.00 0.00 0.00 1.59 0.00 -2.03 -3.40 103.07 101.24 2aw4 h GLY 71 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2aw4 h GLY 71 CO 0.29 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.77 2aw4 n GLN 72 N -2.32 0.00 -2.81 4.80 6.02 -1.26 -5.11 117.38 116.70 2aw4 n GLN 72 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.97 2aw4 n GLN 72 Cb 0.06 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.34 2aw4 n GLN 72 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2aw4 s ARG 73 N -1.31 0.49 0.00 -1.09 3.52 -1.26 -5.02 118.95 114.28 2aw4 s ARG 73 Ca 0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.23 2aw4 s ARG 73 Cb 0.00 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 2aw4 s ARG 73 CO 0.00 -0.65 0.00 -0.89 -0.81 0.00 0.00 175.30 172.95 2aw4 n ILE 74 N 3.27 0.00 -0.97 4.11 2.08 -1.26 -5.00 119.36 121.59 2aw4 n ILE 74 Ca 0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.42 2aw4 n ILE 74 Cb 0.61 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 39.50 2aw4 n ILE 74 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2aw4 n GLY 75 N 0.11 -3.58 0.00 7.39 0.00 0.10 -3.74 105.19 105.47 2aw4 n GLY 75 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2aw4 n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2aw4 n ARG 76 N -2.21 0.00 0.00 1.61 0.63 0.52 -4.60 116.66 112.61 2aw4 n ARG 76 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2aw4 n ARG 76 Cb 0.30 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.21 2aw4 n ARG 76 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2aw4 n ARG 77 N 0.00 0.08 0.00 -0.14 0.63 -1.26 -2.09 116.66 113.88 2aw4 n ARG 77 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2aw4 n ARG 77 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2aw4 n ARG 77 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2aw4 n SER 78 N -1.86 0.00 -0.84 6.15 7.64 -1.26 -4.52 113.62 118.93 2aw4 n SER 78 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2aw4 n SER 78 Cb 0.00 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2aw4 n SER 78 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2aw4 n ASP 79 N -1.91 -4.66 0.00 6.43 -0.08 -1.26 -4.85 116.55 110.22 2aw4 n ASP 79 Ca 0.00 0.91 0.00 0.00 -1.51 0.00 0.00 54.79 54.19 2aw4 n ASP 79 Cb 0.00 -2.21 0.00 0.00 2.34 0.00 0.00 41.12 41.25 2aw4 n ASP 79 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 2aw4 n TRP 80 N -1.78 0.00 0.00 -0.67 8.01 -0.98 -4.85 117.44 117.17 2aw4 n TRP 80 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 2aw4 n TRP 80 Cb 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.49 2aw4 n TRP 80 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 2aw4 n LYS 81 N 0.00 0.00 -1.48 -0.99 4.81 -1.02 -4.57 118.16 114.91 2aw4 n LYS 81 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 2aw4 n LYS 81 Cb 0.00 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.18 2aw4 n LYS 81 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2aw4 s LYS 82 N 0.00 1.38 -0.30 1.64 2.20 -1.26 -3.18 119.74 120.22 2aw4 s LYS 82 Ca 0.00 0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 56.07 2aw4 s LYS 82 Cb 0.00 -1.85 0.19 0.00 -1.51 0.00 0.00 37.83 34.66 2aw4 s LYS 82 CO 0.00 -2.07 0.78 0.00 -0.36 0.00 0.00 175.35 173.70 2aw4 s ALA 83 N -3.18 -3.08 0.02 3.13 0.00 -0.69 -2.25 121.76 115.71 2aw4 s ALA 83 Ca 0.63 1.12 -0.14 0.00 0.00 0.00 0.00 51.96 53.57 2aw4 s ALA 83 Cb -0.15 -2.68 -0.08 0.00 0.00 0.00 0.00 23.12 20.21 2aw4 s ALA 83 CO 0.54 -1.98 1.19 1.88 0.00 0.00 0.00 175.76 177.40 2aw4 h TYR 84 N 7.56 -0.47 -4.23 0.00 -1.99 -1.72 -3.06 116.97 113.07 2aw4 h TYR 84 Ca -0.04 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.68 2aw4 h TYR 84 Cb 1.19 0.15 0.00 0.00 2.00 0.00 0.00 36.73 40.07 2aw4 h TYR 84 CO 0.09 -0.29 -0.86 1.33 -0.00 0.00 0.00 178.16 178.43 2aw4 n VAL 85 N -3.36 -9.71 -3.77 -2.88 0.24 -1.26 -0.08 118.33 97.51 2aw4 n VAL 85 Ca -0.06 2.86 -0.21 0.00 -2.04 0.00 0.00 64.34 64.89 2aw4 n VAL 85 Cb 0.20 -4.32 -0.01 0.00 -1.47 0.00 0.00 33.84 28.23 2aw4 n VAL 85 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2aw4 s THR 86 N -0.98 4.88 0.00 3.34 -4.23 0.16 -1.92 115.64 116.89 2aw4 s THR 86 Ca 0.00 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 2aw4 s THR 86 Cb 0.00 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2aw4 s THR 86 CO 0.00 -0.29 0.00 0.18 -0.54 0.00 0.00 174.62 173.97 2aw4 n LEU 87 N -1.51 0.00 0.00 4.79 7.99 -1.10 -1.46 117.00 125.70 2aw4 n LEU 87 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 2aw4 n LEU 87 Cb 0.57 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.88 2aw4 n LEU 87 CO 0.44 0.00 0.00 1.17 -1.51 0.00 0.00 177.39 177.49 2aw4 n LYS 88 N 0.00 0.00 0.10 3.23 4.81 -1.24 -2.79 118.16 122.27 2aw4 n LYS 88 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2aw4 n LYS 88 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2aw4 n LYS 88 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2aw4 n GLU 89 N 0.00 0.00 0.00 1.64 4.71 -1.26 -3.86 120.64 121.87 2aw4 n GLU 89 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2aw4 n GLU 89 Cb 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 31.44 30.27 2aw4 n GLU 89 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2aw4 n GLY 90 N 2.10 -0.11 2.78 0.62 0.00 -1.26 -4.19 105.19 105.13 2aw4 n GLY 90 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2aw4 n GLY 90 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2aw4 s GLN 91 N -2.00 0.88 0.00 1.61 1.03 -1.26 -5.13 119.66 114.79 2aw4 s GLN 91 Ca 0.00 -0.56 0.00 0.00 0.04 0.00 0.00 55.36 54.84 2aw4 s GLN 91 Cb 0.00 -2.23 0.00 0.00 0.03 0.00 0.00 33.01 30.81 2aw4 s GLN 91 CO 0.00 -0.63 0.00 0.09 -2.54 0.00 0.00 175.29 172.21 2aw4 n ASN 92 N 4.96 0.00 0.27 12.60 4.13 -1.26 -4.82 115.26 131.14 2aw4 n ASN 92 Ca -0.10 -0.74 0.11 0.00 1.68 0.00 0.00 54.58 55.53 2aw4 n ASN 92 Cb 0.46 0.00 0.73 0.00 -1.54 0.00 0.00 39.78 39.44 2aw4 n ASN 92 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2aw4 h LEU 93 N 0.00 0.00 0.00 3.41 -0.00 -2.00 -3.47 115.31 113.24 2aw4 h LEU 93 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2aw4 h LEU 93 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2aw4 h LEU 93 CO 0.00 0.04 0.00 0.47 -0.00 0.00 0.00 178.44 178.95 2aw4 n ASP 94 N -4.14 -1.46 -4.57 -0.43 9.92 -1.26 -4.23 116.55 110.38 2aw4 n ASP 94 Ca -0.03 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.82 2aw4 n ASP 94 Cb 0.13 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.57 2aw4 n ASP 94 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2aw4 n PHE 95 N 0.00 1.74 -3.76 1.24 7.35 -1.26 -4.82 117.46 117.95 2aw4 n PHE 95 Ca 0.00 -0.01 -0.02 0.00 -0.76 0.00 0.00 57.45 56.66 2aw4 n PHE 95 Cb 0.00 -2.68 0.01 0.00 0.35 0.00 0.00 39.48 37.16 2aw4 n PHE 95 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 2aw4 n VAL 96 N 7.79 0.00 -3.86 -2.13 3.14 -1.26 -5.13 118.33 116.89 2aw4 n VAL 96 Ca 0.34 -0.35 -0.30 0.00 -2.96 0.00 0.00 64.34 61.07 2aw4 n VAL 96 Cb 0.45 0.50 -0.15 0.00 -1.06 0.00 0.00 33.84 33.58 2aw4 n VAL 96 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2aw4 s GLY 97 N -2.97 1.44 0.72 7.55 0.00 -1.26 -5.12 107.32 107.68 2aw4 s GLY 97 Ca 0.16 -2.01 -0.12 0.00 0.00 0.00 0.00 44.72 42.75 2aw4 s GLY 97 CO 0.03 1.30 1.10 -0.32 0.00 0.00 0.00 173.10 175.22 2aw4 s GLY 98 N 1.31 1.89 0.00 0.20 0.00 -1.26 -5.25 107.32 104.21 2aw4 s GLY 98 Ca 0.09 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.21 2aw4 s GLY 98 CO -0.17 0.74 0.00 0.00 0.00 0.00 0.00 173.10 173.67