#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1d n LYS 2 N 0.00 -0.51 0.00 0.54 4.76 -1.26 -4.97 118.16 116.72 3e1d n LYS 2 Ca 0.00 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3e1d n LYS 2 Cb 0.00 -2.91 0.00 0.00 -1.84 0.00 0.00 35.03 30.28 3e1d n LYS 2 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3e1d n ILE 3 N -4.90 0.00 0.00 -0.18 5.41 -1.26 -4.90 119.36 113.53 3e1d n ILE 3 Ca -0.20 0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.99 3e1d n ILE 3 Cb 0.62 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 3e1d n ILE 3 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3e1d n LYS 4 N -1.63 0.00 0.00 0.38 0.00 -1.26 -4.40 118.16 111.25 3e1d n LYS 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3e1d n LYS 4 Cb 0.00 -2.47 0.00 0.00 -0.00 0.00 0.00 35.03 32.56 3e1d n LYS 4 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 3e1d n THR 5 N -0.92 0.00 0.94 0.58 5.66 -1.26 -5.01 114.28 114.28 3e1d n THR 5 Ca 0.00 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.08 3e1d n THR 5 Cb 0.00 0.00 0.45 0.00 -1.55 0.00 0.00 70.33 69.23 3e1d n THR 5 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3e1d n VAL 6 N 0.00 0.01 0.00 1.08 3.14 -1.26 -4.22 118.33 117.08 3e1d n VAL 6 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3e1d n VAL 6 Cb 0.00 -0.77 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 3e1d n VAL 6 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3e1d n ARG 7 N -1.01 0.00 0.14 1.45 3.00 -1.26 -4.94 116.66 114.05 3e1d n ARG 7 Ca 0.11 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 58.09 3e1d n ARG 7 Cb 0.05 -0.01 0.49 0.00 0.00 0.00 0.00 32.46 33.00 3e1d n ARG 7 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 3e1d h GLY 8 N 0.00 0.00 2.00 5.14 0.00 -1.96 -2.85 103.07 105.40 3e1d h GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3e1d h GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3e1d h ALA 9 N 2.28 1.00 0.00 3.60 0.00 -1.92 -3.38 119.26 120.84 3e1d h ALA 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3e1d h ALA 9 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3e1d h ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3e1d n ALA 10 N -1.84 2.96 0.31 0.00 0.00 -1.08 -4.61 120.51 116.26 3e1d n ALA 10 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.51 3e1d n ALA 10 Cb 0.37 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 3e1d n ALA 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3e1d n LYS 11 N 1.47 3.86 0.00 0.00 4.01 -1.26 -4.87 118.16 121.37 3e1d n LYS 11 Ca 0.00 -0.19 0.00 0.00 -0.51 0.00 0.00 58.31 57.61 3e1d n LYS 11 Cb 0.33 -0.88 0.00 0.00 -0.51 0.00 0.00 35.03 33.97 3e1d n LYS 11 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 3e1d n ARG 12 N -0.83 2.63 -3.08 1.97 -4.01 -1.25 -4.19 116.66 107.90 3e1d n ARG 12 Ca 0.02 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.70 3e1d n ARG 12 Cb 0.12 -0.27 0.01 0.00 -3.04 0.00 0.00 32.46 29.28 3e1d n ARG 12 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 3e1d n PHE 13 N -0.18 -0.85 -1.15 2.89 3.72 -1.26 -4.57 117.46 116.06 3e1d n PHE 13 Ca 0.00 0.36 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 3e1d n PHE 13 Cb 0.00 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.39 3e1d n PHE 13 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3e1d n LYS 14 N 0.74 0.00 0.00 -1.08 4.81 -1.26 -4.86 118.16 116.51 3e1d n LYS 14 Ca -0.03 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 3e1d n LYS 14 Cb 0.52 -0.77 0.00 0.00 0.02 0.00 0.00 35.03 34.80 3e1d n LYS 14 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3e1d n LYS 15 N 0.24 0.00 -0.65 1.64 2.85 -1.26 -4.92 118.16 116.06 3e1d n LYS 15 Ca 0.00 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.02 3e1d n LYS 15 Cb 0.00 -0.75 -0.02 0.00 -0.65 0.00 0.00 35.03 33.60 3e1d n LYS 15 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3e1d n THR 16 N 0.32 0.51 -4.31 0.58 -1.04 -1.26 -4.83 114.28 104.24 3e1d n THR 16 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3e1d n THR 16 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3e1d n THR 16 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3e1d n GLY 17 N 0.80 0.09 0.00 3.41 0.00 -1.26 -3.15 105.19 105.09 3e1d n GLY 17 Ca 0.08 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.19 3e1d n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3e1d n LYS 18 N 0.62 0.56 0.00 1.61 5.02 -1.26 -4.81 118.16 119.90 3e1d n LYS 18 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3e1d n LYS 18 Cb 0.00 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3e1d n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3e1d n GLY 19 N 2.03 0.09 1.08 0.72 0.00 -1.26 -4.98 105.19 102.88 3e1d n GLY 19 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3e1d n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1d n GLY 20 N 0.05 0.00 1.83 -0.02 0.00 -1.19 -3.00 105.19 102.85 3e1d n GLY 20 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3e1d n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3e1d n PHE 21 N 0.75 0.03 -0.21 1.61 0.99 -1.26 -4.72 117.46 114.65 3e1d n PHE 21 Ca 0.00 -1.33 -0.16 0.00 -0.00 0.00 0.00 57.45 55.96 3e1d n PHE 21 Cb 0.00 -1.21 -0.04 0.00 -1.00 0.00 0.00 39.48 37.24 3e1d n PHE 21 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3e1d n LYS 22 N 2.11 0.12 0.00 -1.08 5.02 -1.26 -4.73 118.16 118.35 3e1d n LYS 22 Ca 0.28 -0.72 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 3e1d n LYS 22 Cb 0.77 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 3e1d n LYS 22 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 3e1d n HIS 23 N 6.26 -0.41 -1.52 2.13 1.44 -1.26 -3.96 115.22 117.90 3e1d n HIS 23 Ca 0.18 0.00 -0.49 0.00 -2.01 0.00 0.00 57.72 55.40 3e1d n HIS 23 Cb 0.14 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.22 3e1d n HIS 23 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 3e1d n LYS 24 N 0.00 0.74 0.01 -1.40 4.81 -1.26 -4.87 118.16 116.19 3e1d n LYS 24 Ca 0.00 0.26 -0.03 0.00 -0.87 0.00 0.00 58.31 57.67 3e1d n LYS 24 Cb 0.00 -1.59 -0.01 0.00 0.02 0.00 0.00 35.03 33.45 3e1d n LYS 24 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 3e1d n HIS 25 N 0.77 0.00 -1.60 5.64 -0.00 -1.26 -5.01 115.22 113.76 3e1d n HIS 25 Ca 0.15 0.00 -0.60 0.00 -0.00 0.00 0.00 57.72 57.28 3e1d n HIS 25 Cb 0.25 -0.11 -0.08 0.00 -0.00 0.00 0.00 29.99 30.05 3e1d n HIS 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3e1d n ALA 26 N -3.45 -2.17 -1.00 1.57 0.00 -1.26 -5.03 120.51 109.17 3e1d n ALA 26 Ca -0.05 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3e1d n ALA 26 Cb 0.28 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3e1d n ALA 26 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3e1d n ASN 27 N 2.74 0.00 0.00 0.00 0.23 -1.26 -4.79 115.26 112.19 3e1d n ASN 27 Ca 0.23 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 3e1d n ASN 27 Cb 0.08 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 3e1d n ASN 27 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3e1d n LEU 28 N 0.00 0.00 -4.36 -4.53 -0.00 -1.26 -4.72 117.00 102.13 3e1d n LEU 28 Ca 0.00 0.20 -0.43 0.00 -0.00 0.00 0.00 56.01 55.78 3e1d n LEU 28 Cb 0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 43.42 43.21 3e1d n LEU 28 CO 0.00 -0.20 -0.23 -2.11 -0.00 0.00 0.00 177.39 174.85 3e1d n ARG 29 N -1.14 0.15 0.00 1.47 -4.01 -1.26 -2.41 116.66 109.46 3e1d n ARG 29 Ca 0.00 0.05 0.01 0.00 -1.04 0.00 0.00 57.85 56.88 3e1d n ARG 29 Cb 0.12 -1.13 0.09 0.00 -3.04 0.00 0.00 32.46 28.50 3e1d n ARG 29 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 3e1d n HIS 30 N -0.77 0.00 -4.44 2.89 -0.00 -1.26 -5.10 115.22 106.53 3e1d n HIS 30 Ca 0.13 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.07 3e1d n HIS 30 Cb 0.37 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.14 3e1d n HIS 30 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3e1d s ILE 31 N -2.00 2.63 -0.10 3.57 1.09 -1.01 -4.91 121.20 120.46 3e1d s ILE 31 Ca 0.04 -2.33 -0.00 0.00 -1.10 0.00 0.00 60.65 57.26 3e1d s ILE 31 Cb 0.02 -2.39 0.00 0.00 -1.06 0.00 0.00 42.46 39.03 3e1d s ILE 31 CO 0.03 -0.39 0.07 -0.11 -0.10 0.00 0.00 174.94 174.44 3e1d n LEU 32 N -0.66 -0.21 -1.26 2.97 7.94 -1.26 -4.76 117.00 119.76 3e1d n LEU 32 Ca -0.05 -0.12 -0.05 0.00 -1.11 0.00 0.00 56.01 54.68 3e1d n LEU 32 Cb 0.60 -0.20 0.08 0.00 0.53 0.00 0.00 43.42 44.44 3e1d n LEU 32 CO 0.38 0.05 0.66 0.41 -1.11 0.00 0.00 177.39 177.79 3e1d n THR 33 N -0.81 1.46 0.09 1.96 -1.04 -1.26 -4.13 114.28 110.55 3e1d n THR 33 Ca -0.04 -0.57 0.11 0.00 -2.04 0.00 0.00 64.05 61.51 3e1d n THR 33 Cb 0.08 -0.70 -0.08 0.00 -1.82 0.00 0.00 70.33 67.81 3e1d n THR 33 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3e1d n LYS 34 N 0.04 0.61 -0.88 -2.82 5.02 -1.26 -5.02 118.16 113.85 3e1d n LYS 34 Ca 0.16 -0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 56.10 3e1d n LYS 34 Cb 0.78 -1.66 0.14 0.00 -0.02 0.00 0.00 35.03 34.27 3e1d n LYS 34 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3e1d s LYS 35 N -3.43 1.38 0.31 1.97 1.02 -1.26 -4.88 119.74 114.85 3e1d s LYS 35 Ca -0.04 1.41 0.00 0.00 0.02 0.00 0.00 55.97 57.36 3e1d s LYS 35 Cb 0.12 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 3e1d s LYS 35 CO 0.85 -2.34 0.00 0.00 -0.92 0.00 0.00 175.35 172.94 3e1d n ALA 36 N -4.02 -2.06 -0.91 5.17 0.00 -1.26 -4.77 120.51 112.66 3e1d n ALA 36 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3e1d n ALA 36 Cb 0.52 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3e1d n ALA 36 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3e1d n THR 37 N -3.37 0.00 0.29 0.00 -2.24 -1.26 -4.80 114.28 102.90 3e1d n THR 37 Ca -0.04 0.02 0.17 0.00 -2.27 0.00 0.00 64.05 61.92 3e1d n THR 37 Cb 0.37 -0.73 0.89 0.00 -2.10 0.00 0.00 70.33 68.75 3e1d n THR 37 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3e1d h LYS 38 N 0.00 0.00 0.00 -0.78 1.79 -2.03 -0.55 116.57 115.00 3e1d h LYS 38 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3e1d h LYS 38 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3e1d h LYS 38 CO 0.00 0.00 -0.28 2.89 -1.08 0.00 0.00 179.45 180.98 3e1d n ARG 39 N -2.76 0.81 0.18 3.15 1.85 -1.26 -4.69 116.66 113.94 3e1d n ARG 39 Ca -0.02 -2.10 0.12 0.00 -1.00 0.00 0.00 57.85 54.85 3e1d n ARG 39 Cb 0.19 -1.09 0.13 0.00 -1.05 0.00 0.00 32.46 30.64 3e1d n ARG 39 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 3e1d h LYS 40 N 0.16 0.00 -5.02 2.89 3.64 -1.39 -3.39 116.57 113.45 3e1d h LYS 40 Ca -0.01 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 3e1d h LYS 40 Cb 1.19 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 33.04 3e1d h LYS 40 CO 0.01 0.00 0.72 0.54 -2.27 0.00 0.00 179.45 178.44 3e1d n ARG 41 N -2.92 0.02 -0.03 1.90 5.12 -1.26 -4.79 116.66 114.70 3e1d n ARG 41 Ca 0.03 -0.66 -0.13 0.00 -1.93 0.00 0.00 57.85 55.16 3e1d n ARG 41 Cb 0.53 -2.08 -0.08 0.00 -1.16 0.00 0.00 32.46 29.66 3e1d n ARG 41 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3e1d h HIS 42 N 9.39 0.17 0.00 -1.55 -0.00 -2.00 -3.47 115.15 117.70 3e1d h HIS 42 Ca 0.06 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3e1d h HIS 42 Cb 0.80 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.17 3e1d h HIS 42 CO 1.17 0.55 0.00 1.28 -0.00 0.00 0.00 177.93 180.93 3e1d n LEU 43 N -4.76 0.00 -3.91 0.26 7.99 -1.26 -4.79 117.00 110.53 3e1d n LEU 43 Ca -0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.84 3e1d n LEU 43 Cb 0.27 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.50 3e1d n LEU 43 CO 0.36 0.00 -0.15 -0.13 -1.51 0.00 0.00 177.39 175.95 3e1d s ARG 44 N 0.00 0.80 0.29 3.23 0.52 -1.26 -5.14 118.95 117.39 3e1d s ARG 44 Ca 0.00 -1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 53.89 3e1d s ARG 44 Cb 0.00 0.31 -0.11 0.00 0.52 0.00 0.00 34.95 35.68 3e1d s ARG 44 CO 0.00 -0.24 1.50 -2.14 0.02 0.00 0.00 175.30 174.45 3e1d s PRO 45 N -3.88 4.19 1.17 3.54 0.02 -1.26 -5.01 135.00 133.77 3e1d s PRO 45 Ca 0.06 2.44 -0.20 0.00 0.02 0.00 0.00 61.00 63.32 3e1d s PRO 45 Cb 0.06 -3.06 0.29 0.00 0.02 0.00 0.00 34.50 31.81 3e1d s PRO 45 CO -0.11 -0.51 0.92 0.36 -0.33 0.00 0.00 177.00 177.34 3e1d n LYS 46 N 1.98 -3.43 -2.81 5.54 2.85 -1.26 -5.02 118.16 116.02 3e1d n LYS 46 Ca 0.06 -1.49 -0.32 0.00 -1.05 0.00 0.00 58.31 55.51 3e1d n LYS 46 Cb 0.39 -1.54 -0.05 0.00 -0.65 0.00 0.00 35.03 33.18 3e1d n LYS 46 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3e1d s ALA 47 N -2.74 3.16 0.02 0.58 0.00 -1.26 -4.74 121.76 116.78 3e1d s ALA 47 Ca 0.62 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.80 3e1d s ALA 47 Cb -0.08 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 3e1d s ALA 47 CO 0.49 0.08 -0.06 -1.64 0.00 0.00 0.00 175.76 174.62 3e1d s MET 48 N -3.43 2.50 -0.08 0.00 1.00 -1.16 -5.03 119.30 113.10 3e1d s MET 48 Ca 0.58 -0.77 0.12 0.00 0.00 0.00 0.00 55.69 55.62 3e1d s MET 48 Cb -0.10 -2.48 -0.17 0.00 0.00 0.00 0.00 34.83 32.08 3e1d s MET 48 CO 0.21 0.58 0.14 1.33 0.00 0.00 0.00 175.02 177.28 3e1d n VAL 49 N 1.34 0.50 0.00 -6.03 0.24 -1.26 -4.76 118.33 108.37 3e1d n VAL 49 Ca -0.15 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 3e1d n VAL 49 Cb 0.52 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 3e1d n VAL 49 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3e1d n SER 50 N -2.25 0.00 -1.25 -1.34 2.88 -1.26 -4.89 113.62 105.50 3e1d n SER 50 Ca -0.13 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.37 3e1d n SER 50 Cb 0.68 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.17 3e1d n SER 50 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3e1d n LYS 51 N -1.71 1.22 -0.14 -1.46 4.76 -1.26 -2.95 118.16 116.62 3e1d n LYS 51 Ca 0.00 -0.52 0.02 0.00 -2.87 0.00 0.00 58.31 54.94 3e1d n LYS 51 Cb 0.00 -1.20 0.07 0.00 -1.84 0.00 0.00 35.03 32.06 3e1d n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3e1d n GLY 52 N 0.31 1.17 0.18 0.72 0.00 -1.26 -4.75 105.19 101.56 3e1d n GLY 52 Ca 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.97 3e1d n GLY 52 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3e1d h ASP 53 N 0.75 0.06 -0.06 1.61 2.03 -1.89 -2.21 116.42 116.70 3e1d h ASP 53 Ca 0.00 -0.02 0.02 0.00 -0.73 0.00 0.00 57.03 56.29 3e1d h ASP 53 Cb 0.60 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.09 3e1d h ASP 53 CO 0.06 0.48 0.06 0.25 -1.03 0.00 0.00 179.24 179.07 3e1d h LEU 54 N 0.05 0.00 0.00 0.15 5.85 -1.92 0.43 115.31 119.87 3e1d h LEU 54 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3e1d h LEU 54 Cb 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 3e1d h LEU 54 CO 0.06 0.00 -0.22 0.61 -0.34 0.00 0.00 178.44 178.55 3e1d n GLY 55 N -1.37 -1.55 0.59 3.75 0.00 -0.83 -4.47 105.19 101.31 3e1d n GLY 55 Ca -0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 3e1d n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3e1d n LEU 56 N -2.03 1.10 0.27 0.99 4.77 -0.99 -4.72 117.00 116.37 3e1d n LEU 56 Ca 0.05 0.07 0.13 0.00 -0.03 0.00 0.00 56.01 56.23 3e1d n LEU 56 Cb 0.41 -0.25 0.74 0.00 -2.33 0.00 0.00 43.42 41.99 3e1d n LEU 56 CO 0.32 0.27 0.99 1.62 -1.33 0.00 0.00 177.39 179.26 3e1d h VAL 57 N -0.24 0.55 0.00 4.08 3.04 -1.14 -2.33 116.25 120.22 3e1d h VAL 57 Ca -0.21 -0.49 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 3e1d h VAL 57 Cb 1.20 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 3e1d h VAL 57 CO -0.11 0.11 -0.07 2.30 -1.01 0.00 0.00 177.57 178.78 3e1d n ILE 58 N -3.65 0.69 -1.89 3.17 -5.35 -1.26 -5.12 119.36 105.95 3e1d n ILE 58 Ca -0.02 -0.76 -0.41 0.00 -0.27 0.00 0.00 62.75 61.29 3e1d n ILE 58 Cb 0.23 0.53 -0.02 0.00 -1.74 0.00 0.00 39.64 38.64 3e1d n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3e1d s ALA 59 N -0.86 3.66 -0.23 -1.28 0.00 -0.88 -5.03 121.76 117.14 3e1d s ALA 59 Ca 0.06 1.46 -0.13 0.00 0.00 0.00 0.00 51.96 53.34 3e1d s ALA 59 Cb 0.05 -3.60 0.07 0.00 0.00 0.00 0.00 23.12 19.64 3e1d s ALA 59 CO 0.01 -0.88 0.57 0.00 0.00 0.00 0.00 175.76 175.45 3e1d n LEU 61 N 4.29 0.00 -0.01 0.00 4.32 -1.26 -4.41 117.00 119.92 3e1d n LEU 61 Ca -0.21 0.03 -0.13 0.00 -0.02 0.00 0.00 56.01 55.68 3e1d n LEU 61 Cb 0.57 -0.21 -0.08 0.00 -1.62 0.00 0.00 43.42 42.08 3e1d n LEU 61 CO 0.02 -0.14 0.71 -0.65 -1.22 0.00 0.00 177.39 176.11 3e1d h PRO 62 N 0.00 0.08 -4.30 3.23 0.11 -2.02 -3.50 132.00 125.59 3e1d h PRO 62 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3e1d h PRO 62 Cb 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3e1d h PRO 62 CO 0.00 0.41 -0.73 0.66 -0.21 0.00 0.00 178.00 178.13 3e1d n TYR 63 N -4.86 -3.72 0.00 0.65 4.02 -1.26 -4.76 117.16 107.22 3e1d n TYR 63 Ca -0.07 2.23 0.00 0.00 -0.01 0.00 0.00 57.90 60.05 3e1d n TYR 63 Cb 0.20 -3.00 0.00 0.00 -0.02 0.00 0.00 39.34 36.53 3e1d n TYR 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85