#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 h ARG 2 N 0.00 1.18 0.00 0.00 -0.00 -1.90 -3.38 114.38 110.28 3df3 h ARG 2 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 3df3 h ARG 2 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 29.97 29.70 3df3 h ARG 2 CO 0.00 0.78 0.00 -0.89 0.00 0.00 0.00 179.97 179.86 3df3 n ILE 3 N -4.43 0.00 1.39 2.04 5.41 -1.26 0.51 119.36 123.01 3df3 n ILE 3 Ca 0.13 0.00 0.14 0.00 1.00 0.00 0.00 62.75 64.01 3df3 n ILE 3 Cb 0.09 0.00 0.44 0.00 -0.71 0.00 0.00 39.64 39.46 3df3 n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3df3 n ALA 4 N 6.65 2.64 0.00 -1.39 0.00 -1.26 -4.79 120.51 122.36 3df3 n ALA 4 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3df3 n ALA 4 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3df3 n ALA 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df3 n GLY 5 N 1.22 2.18 5.06 0.00 0.00 0.18 -4.90 105.19 108.93 3df3 n GLY 5 Ca 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3df3 n GLY 5 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3df3 n ILE 6 N 2.17 0.00 -1.67 -0.61 5.41 -1.26 -4.86 119.36 118.54 3df3 n ILE 6 Ca 0.00 0.00 -0.49 0.00 1.00 0.00 0.00 62.75 63.26 3df3 n ILE 6 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.88 3df3 n ILE 6 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3df3 n ASN 7 N 2.03 2.95 -2.92 4.38 5.03 -1.26 -4.87 115.26 120.60 3df3 n ASN 7 Ca 0.00 1.04 -0.26 0.00 0.87 0.00 0.00 54.58 56.23 3df3 n ASN 7 Cb 0.00 -1.33 -0.04 0.00 -1.02 0.00 0.00 39.78 37.39 3df3 n ASN 7 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 3df3 n ILE 8 N 4.17 2.72 -1.82 2.41 -5.35 -1.26 -4.34 119.36 115.89 3df3 n ILE 8 Ca 0.21 -5.43 -0.34 0.00 -0.27 0.00 0.00 62.75 56.92 3df3 n ILE 8 Cb 0.26 -1.27 -0.04 0.00 -1.74 0.00 0.00 39.64 36.85 3df3 n ILE 8 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3df3 s PRO 9 N -3.39 2.32 0.17 6.28 0.04 -1.26 -4.73 135.00 134.44 3df3 s PRO 9 Ca 0.48 0.80 0.04 0.00 0.04 0.00 0.00 61.00 62.36 3df3 s PRO 9 Cb 0.30 -4.57 -0.05 0.00 0.04 0.00 0.00 34.50 30.22 3df3 s PRO 9 CO -0.14 -3.17 -0.06 -0.51 0.04 0.00 0.00 177.00 173.16 3df3 s ASP 10 N 9.90 1.74 0.00 6.66 1.01 -1.26 -4.75 116.67 129.96 3df3 s ASP 10 Ca 0.81 -1.09 0.00 0.00 0.71 0.00 0.00 52.55 52.98 3df3 s ASP 10 Cb -0.14 0.01 0.00 0.00 1.01 0.00 0.00 42.92 43.80 3df3 s ASP 10 CO 0.19 -0.41 0.00 1.57 0.21 0.00 0.00 175.17 176.73 3df3 n HIS 11 N -0.26 0.00 -0.60 4.23 -0.00 -1.26 -4.89 115.22 112.43 3df3 n HIS 11 Ca -0.08 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.81 3df3 n HIS 11 Cb 0.62 0.00 0.24 0.00 -0.12 0.00 0.00 29.99 30.72 3df3 n HIS 11 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3df3 s LYS 12 N 0.00 -0.61 0.96 1.57 -0.14 -1.26 -4.57 119.74 115.69 3df3 s LYS 12 Ca 0.00 0.92 -0.13 0.00 -1.36 0.00 0.00 55.97 55.39 3df3 s LYS 12 Cb 0.00 -1.58 0.01 0.00 -1.68 0.00 0.00 37.83 34.57 3df3 s LYS 12 CO 0.00 -3.54 0.22 0.72 -0.76 0.00 0.00 175.35 171.99 3df3 n HIS 13 N -4.80 -2.03 0.08 3.18 8.25 -1.26 -3.85 115.22 114.79 3df3 n HIS 13 Ca 0.04 0.19 -0.03 0.00 -0.26 0.00 0.00 57.72 57.66 3df3 n HIS 13 Cb 0.54 -1.73 -0.01 0.00 1.12 0.00 0.00 29.99 29.91 3df3 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3df3 h ALA 14 N -1.48 -1.02 -0.92 -1.41 0.00 0.72 -2.22 119.26 112.94 3df3 h ALA 14 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3df3 h ALA 14 Cb 1.28 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3df3 h ALA 14 CO 0.33 -1.00 0.00 0.28 0.00 0.00 0.00 179.25 178.85 3df3 n VAL 15 N -2.55 0.00 -0.51 0.00 0.31 -1.24 -1.21 118.33 113.13 3df3 n VAL 15 Ca -0.02 1.35 0.43 0.00 -0.01 0.00 0.00 64.34 66.08 3df3 n VAL 15 Cb 0.08 -1.99 0.74 0.00 -0.91 0.00 0.00 33.84 31.76 3df3 n VAL 15 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 3df3 h ILE 16 N 0.00 0.17 0.71 2.52 -0.00 -1.88 0.30 117.51 119.33 3df3 h ILE 16 Ca 0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 64.86 64.81 3df3 h ILE 16 Cb 0.00 0.12 0.01 0.00 -0.00 0.00 0.00 36.82 36.95 3df3 h ILE 16 CO 0.00 0.01 -0.34 0.00 -0.00 0.00 0.00 178.15 177.82 3df3 h ALA 17 N 1.31 -0.95 -0.96 0.18 0.00 -0.50 -3.16 119.26 115.17 3df3 h ALA 17 Ca 0.79 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.49 3df3 h ALA 17 Cb 2.93 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 21.04 3df3 h ALA 17 CO -0.14 -0.96 0.63 -0.07 0.00 0.00 0.00 179.25 178.72 3df3 h LEU 18 N -1.11 1.11 -0.96 0.00 4.07 -0.44 -1.37 115.31 116.61 3df3 h LEU 18 Ca -0.10 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.83 3df3 h LEU 18 Cb 0.76 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.22 3df3 h LEU 18 CO 0.16 0.81 0.36 0.71 -1.08 0.00 0.00 178.44 179.40 3df3 h THR 19 N 1.31 0.00 0.00 0.22 1.35 -1.31 0.70 112.91 115.17 3df3 h THR 19 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.21 3df3 h THR 19 Cb -0.14 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 66.60 3df3 h THR 19 CO -0.08 0.00 0.00 0.28 -0.25 0.00 0.00 175.52 175.47 3df3 h SER 20 N 0.00 0.00 -4.07 5.36 0.02 -1.25 -3.41 113.55 110.20 3df3 h SER 20 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 3df3 h SER 20 Cb 0.72 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.38 3df3 h SER 20 CO 0.00 0.00 0.53 -0.63 -1.14 0.00 0.00 176.83 175.59 3df3 s ILE 21 N -3.41 2.43 -1.03 3.27 1.01 0.24 -4.86 121.20 118.86 3df3 s ILE 21 Ca 0.03 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3df3 s ILE 21 Cb 0.09 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.42 3df3 s ILE 21 CO 0.38 -0.03 0.90 -1.22 0.00 0.00 0.00 174.94 174.96 3df3 n TYR 22 N -1.26 0.00 -2.38 3.97 0.53 -1.26 -2.98 117.16 113.77 3df3 n TYR 22 Ca 0.12 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 57.01 3df3 n TYR 22 Cb 0.48 -0.40 0.00 0.00 -1.03 0.00 0.00 39.34 38.39 3df3 n TYR 22 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3df3 n GLY 23 N -1.40 0.88 2.96 2.72 0.00 -1.26 -4.66 105.19 104.44 3df3 n GLY 23 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 3df3 n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3df3 s VAL 24 N 0.00 0.08 0.00 1.61 -7.23 -1.16 -4.97 120.40 108.72 3df3 s VAL 24 Ca 0.26 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 3df3 s VAL 24 Cb 0.29 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 37.03 3df3 s VAL 24 CO -0.13 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 3df3 n GLY 25 N 2.02 5.23 0.01 2.32 0.00 -1.26 -4.36 105.19 109.16 3df3 n GLY 25 Ca -0.20 -1.74 0.01 0.00 0.00 0.00 0.00 46.02 44.08 3df3 n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df3 n LYS 26 N 0.00 0.01 -0.07 1.61 4.76 -1.26 -1.29 118.16 121.92 3df3 n LYS 26 Ca 0.00 0.34 -0.07 0.00 -2.87 0.00 0.00 58.31 55.71 3df3 n LYS 26 Cb 0.00 -1.71 -0.02 0.00 -1.84 0.00 0.00 35.03 31.45 3df3 n LYS 26 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3df3 n THR 27 N -1.38 1.16 -0.00 -0.18 -1.04 -1.26 -3.79 114.28 107.79 3df3 n THR 27 Ca -0.00 0.22 0.04 0.00 -2.04 0.00 0.00 64.05 62.27 3df3 n THR 27 Cb 0.19 -2.16 0.43 0.00 -1.82 0.00 0.00 70.33 66.97 3df3 n THR 27 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3df3 h ARG 28 N -0.77 0.53 0.00 -2.82 1.12 -1.88 -1.80 114.38 108.75 3df3 h ARG 28 Ca 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 3df3 h ARG 28 Cb 0.77 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 3df3 h ARG 28 CO 0.00 0.35 -0.32 1.03 -3.11 0.00 0.00 179.97 177.92 3df3 h SER 29 N 0.55 0.00 0.72 -3.80 0.87 -1.44 -3.07 113.55 107.37 3df3 h SER 29 Ca 0.16 -0.05 -0.26 0.00 -1.23 0.00 0.00 61.79 60.40 3df3 h SER 29 Cb -0.04 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3df3 h SER 29 CO -0.03 0.03 -1.28 0.50 -0.53 0.00 0.00 176.83 175.52 3df3 h LYS 30 N 0.00 0.12 0.17 2.24 3.64 -1.43 -3.29 116.57 118.03 3df3 h LYS 30 Ca 0.00 -0.21 -0.35 0.00 -1.27 0.00 0.00 60.65 58.82 3df3 h LYS 30 Cb 0.85 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3df3 h LYS 30 CO 0.00 1.02 -1.76 0.00 -2.27 0.00 0.00 179.45 176.43 3df3 h ALA 31 N 0.78 0.21 -0.72 5.00 0.00 -1.61 -3.36 119.26 119.56 3df3 h ALA 31 Ca -0.13 -1.17 0.09 0.00 0.00 0.00 0.00 54.91 53.69 3df3 h ALA 31 Cb 1.91 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 20.12 3df3 h ALA 31 CO 0.15 1.08 0.47 0.97 0.00 0.00 0.00 179.25 181.92 3df3 h ILE 32 N 0.10 0.95 0.00 0.00 2.10 -1.69 -0.70 117.51 118.28 3df3 h ILE 32 Ca -0.35 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.38 3df3 h ILE 32 Cb 2.09 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 3df3 h ILE 32 CO 0.17 0.12 0.00 0.18 -1.08 0.00 0.00 178.15 177.53 3df3 n LEU 33 N -4.49 0.00 0.01 2.19 4.77 -1.24 -1.68 117.00 116.57 3df3 n LEU 33 Ca 0.11 0.97 0.15 0.00 -0.03 0.00 0.00 56.01 57.22 3df3 n LEU 33 Cb 0.31 -0.47 0.62 0.00 -2.33 0.00 0.00 43.42 41.54 3df3 n LEU 33 CO 0.33 -0.47 1.17 0.00 -1.33 0.00 0.00 177.39 177.08 3df3 h ALA 34 N -1.86 2.25 0.00 -1.18 0.00 -1.29 0.44 119.26 117.62 3df3 h ALA 34 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3df3 h ALA 34 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3df3 h ALA 34 CO 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.88 3df3 h ALA 35 N 1.77 1.00 0.00 0.00 0.00 -0.89 -1.88 119.26 119.26 3df3 h ALA 35 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3df3 h ALA 35 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3df3 h ALA 35 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3df3 n ALA 36 N -1.91 2.03 -2.29 0.00 0.00 0.11 -4.99 120.51 113.46 3df3 n ALA 36 Ca -0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 53.44 52.52 3df3 n ALA 36 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3df3 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df3 n GLY 37 N -0.41 0.63 3.09 0.00 0.00 -0.14 -4.96 105.19 103.39 3df3 n GLY 37 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 3df3 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3df3 s ILE 38 N -3.02 1.16 0.00 -0.61 -1.09 0.11 -4.93 121.20 112.82 3df3 s ILE 38 Ca 0.01 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 3df3 s ILE 38 Cb -0.01 -0.99 0.00 0.00 -1.58 0.00 0.00 42.46 39.88 3df3 s ILE 38 CO 0.03 0.34 0.00 0.00 -1.23 0.00 0.00 174.94 174.08 3df3 n ALA 39 N 3.03 0.00 -0.10 9.38 0.00 -1.26 -1.78 120.51 129.78 3df3 n ALA 39 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 3df3 n ALA 39 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 3df3 n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3df3 n GLU 40 N -0.78 0.48 0.12 0.00 -0.58 -1.26 -4.47 120.64 114.16 3df3 n GLU 40 Ca 0.00 0.12 -0.00 0.00 -0.42 0.00 0.00 57.16 56.85 3df3 n GLU 40 Cb 0.00 -1.38 0.01 0.00 -0.57 0.00 0.00 31.44 29.50 3df3 n GLU 40 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 3df3 h ASP 41 N -0.03 0.00 -3.43 1.62 1.82 -1.96 -0.89 116.42 113.55 3df3 h ASP 41 Ca -0.44 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 55.63 3df3 h ASP 41 Cb 1.66 0.00 0.13 0.00 0.68 0.00 0.00 39.33 41.80 3df3 h ASP 41 CO -0.08 0.65 0.37 1.33 -1.61 0.00 0.00 179.24 179.90 3df3 n VAL 42 N -3.31 2.72 -3.66 2.25 0.24 -1.26 -4.43 118.33 110.87 3df3 n VAL 42 Ca 0.01 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.34 61.44 3df3 n VAL 42 Cb 0.78 -1.41 -0.06 0.00 -1.47 0.00 0.00 33.84 31.68 3df3 n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3df3 s LYS 43 N -2.24 3.71 0.00 7.34 3.01 -1.26 -0.46 119.74 129.83 3df3 s LYS 43 Ca 0.64 0.17 0.00 0.00 -1.01 0.00 0.00 55.97 55.77 3df3 s LYS 43 Cb -0.51 -3.19 0.00 0.00 -1.01 0.00 0.00 37.83 33.12 3df3 s LYS 43 CO 0.56 0.72 0.95 -0.89 0.51 0.00 0.00 175.35 177.20 3df3 n ILE 44 N 1.82 1.80 0.19 2.17 -0.00 -1.25 -2.26 119.36 121.82 3df3 n ILE 44 Ca -0.16 0.48 -0.15 0.00 -0.00 0.00 0.00 62.75 62.92 3df3 n ILE 44 Cb 0.53 -1.48 -0.08 0.00 -0.00 0.00 0.00 39.64 38.62 3df3 n ILE 44 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 3df3 h SER 45 N 0.00 -0.36 1.42 4.38 0.02 -1.89 -2.80 113.55 114.32 3df3 h SER 45 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3df3 h SER 45 Cb 0.06 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3df3 h SER 45 CO 0.00 -0.25 0.00 1.05 -1.14 0.00 0.00 176.83 176.49 3df3 h GLU 46 N -0.43 0.00 -5.19 3.45 -0.00 -1.87 -3.44 114.58 107.10 3df3 h GLU 46 Ca -0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 58.98 3df3 h GLU 46 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.02 3df3 h GLU 46 CO 0.07 0.00 1.43 1.28 -0.00 0.00 0.00 179.01 181.80 3df3 n LEU 47 N -3.00 0.44 -4.53 3.06 7.99 -1.06 -4.88 117.00 115.03 3df3 n LEU 47 Ca 0.02 -0.56 -0.28 0.00 -0.01 0.00 0.00 56.01 55.18 3df3 n LEU 47 Cb 0.40 -1.09 0.24 0.00 -0.11 0.00 0.00 43.42 42.86 3df3 n LEU 47 CO 0.30 -1.54 0.54 -0.44 -1.51 0.00 0.00 177.39 174.74 3df3 s SER 48 N 7.15 1.29 0.08 -1.43 0.01 -1.26 -4.14 113.70 115.41 3df3 s SER 48 Ca 1.18 1.51 -0.16 0.00 1.31 0.00 0.00 55.95 59.80 3df3 s SER 48 Cb -0.67 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.26 3df3 s SER 48 CO 0.38 -4.01 1.25 1.21 0.41 0.00 0.00 173.24 172.48 3df3 n GLU 49 N -4.79 -0.22 -0.30 12.44 4.07 -1.26 0.55 120.64 131.13 3df3 n GLU 49 Ca 0.04 1.23 0.05 0.00 -0.06 0.00 0.00 57.16 58.42 3df3 n GLU 49 Cb 0.54 -1.83 0.20 0.00 -0.06 0.00 0.00 31.44 30.30 3df3 n GLU 49 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3df3 h GLY 50 N 0.00 1.34 1.13 8.31 0.00 -1.98 1.02 103.07 112.90 3df3 h GLY 50 Ca 0.08 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3df3 h GLY 50 CO -0.47 0.05 0.19 1.46 0.00 0.00 0.00 176.54 177.77 3df3 h GLN 51 N 0.72 1.08 0.00 4.80 4.20 -0.95 -2.44 115.11 122.52 3df3 h GLN 51 Ca 0.43 -0.24 -0.20 0.00 0.06 0.00 0.00 58.65 58.70 3df3 h GLN 51 Cb 0.51 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3df3 h GLN 51 CO -0.30 0.94 -1.09 0.97 -0.67 0.00 0.00 178.83 178.68 3df3 h ILE 52 N 1.03 1.29 -0.66 2.54 6.09 0.10 -3.33 117.51 124.57 3df3 h ILE 52 Ca 0.22 -2.94 -0.01 0.00 -1.37 0.00 0.00 64.86 60.76 3df3 h ILE 52 Cb 0.34 2.62 -0.03 0.00 0.47 0.00 0.00 36.82 40.21 3df3 h ILE 52 CO -0.00 0.73 0.38 0.44 -3.07 0.00 0.00 178.15 176.63 3df3 h ASP 53 N 0.00 0.81 -0.52 2.19 3.45 0.13 -1.77 116.42 120.71 3df3 h ASP 53 Ca -0.08 -0.08 0.06 0.00 0.43 0.00 0.00 57.03 57.37 3df3 h ASP 53 Cb 1.74 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 40.27 3df3 h ASP 53 CO 0.10 0.66 0.35 0.71 -1.57 0.00 0.00 179.24 179.48 3df3 h THR 54 N 0.91 0.98 0.29 0.35 1.35 -1.54 0.17 112.91 115.40 3df3 h THR 54 Ca 0.24 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 65.93 3df3 h THR 54 Cb 0.01 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 66.91 3df3 h THR 54 CO -0.04 0.08 -0.14 -0.07 -0.25 0.00 0.00 175.52 175.10 3df3 h LEU 55 N 0.46 -0.33 -2.04 3.87 3.38 -1.47 0.41 115.31 119.58 3df3 h LEU 55 Ca 0.22 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.28 3df3 h LEU 55 Cb 0.31 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3df3 h LEU 55 CO -0.06 -0.14 0.37 -0.09 0.09 0.00 0.00 178.44 178.61 3df3 h ARG 56 N -0.58 0.00 0.00 1.13 2.43 -1.22 -2.30 114.38 113.84 3df3 h ARG 56 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3df3 h ARG 56 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3df3 h ARG 56 CO 0.07 0.00 -0.24 0.22 -1.51 0.00 0.00 179.97 178.51 3df3 h ASP 57 N 0.00 0.00 0.00 -3.80 3.58 -0.61 -3.38 116.42 112.21 3df3 h ASP 57 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 3df3 h ASP 57 Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 3df3 h ASP 57 CO -0.00 0.37 0.21 1.21 -2.88 0.00 0.00 179.24 178.15 3df3 n GLU 58 N -3.45 0.11 0.14 0.28 2.13 0.14 0.15 120.64 120.13 3df3 n GLU 58 Ca -0.03 0.60 0.01 0.00 0.66 0.00 0.00 57.16 58.40 3df3 n GLU 58 Cb 0.12 -2.06 0.12 0.00 0.27 0.00 0.00 31.44 29.89 3df3 n GLU 58 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 3df3 h VAL 59 N 0.00 1.10 -0.16 6.31 3.04 -1.60 -3.10 116.25 121.84 3df3 h VAL 59 Ca 0.00 -2.20 0.05 0.00 -1.01 0.00 0.00 66.70 63.54 3df3 h VAL 59 Cb 0.41 2.30 -0.01 0.00 -2.01 0.00 0.00 31.29 31.99 3df3 h VAL 59 CO 0.00 0.56 0.24 0.00 -1.01 0.00 0.00 177.57 177.35 3df3 h ALA 60 N 1.43 1.67 0.00 3.17 0.00 -0.48 -2.51 119.26 122.55 3df3 h ALA 60 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3df3 h ALA 60 Cb 1.26 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3df3 h ALA 60 CO 0.07 -0.32 -0.15 1.63 0.00 0.00 0.00 179.25 180.48 3df3 n LYS 61 N -3.54 1.37 0.00 0.00 4.76 -1.17 -4.59 118.16 114.98 3df3 n LYS 61 Ca 0.01 -0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.03 3df3 n LYS 61 Cb 0.35 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 3df3 n LYS 61 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3df3 n PHE 62 N 1.98 0.00 -1.68 2.13 7.35 -0.95 -5.13 117.46 121.16 3df3 n PHE 62 Ca 0.18 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.42 3df3 n PHE 62 Cb 0.65 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.44 3df3 n PHE 62 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3df3 n VAL 63 N 0.00 0.20 -4.12 -2.13 0.31 -1.26 -4.96 118.33 106.36 3df3 n VAL 63 Ca 0.00 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 3df3 n VAL 63 Cb 0.00 -1.80 -0.07 0.00 -0.91 0.00 0.00 33.84 31.06 3df3 n VAL 63 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3df3 s VAL 64 N 1.96 0.00 0.00 2.52 -7.23 -1.26 -4.79 120.40 111.60 3df3 s VAL 64 Ca 0.82 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 3df3 s VAL 64 Cb -0.61 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 33.86 3df3 s VAL 64 CO 0.39 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.56 3df3 n GLU 65 N -0.44 0.00 0.25 4.82 -0.58 -1.26 -3.02 120.64 120.41 3df3 n GLU 65 Ca 0.01 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.58 3df3 n GLU 65 Cb 0.63 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.40 3df3 n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3df3 h GLY 66 N 0.00 -1.23 -0.89 0.62 0.00 -1.98 -2.60 103.07 97.00 3df3 h GLY 66 Ca 0.00 0.60 0.36 0.00 0.00 0.00 0.00 47.33 48.28 3df3 h GLY 66 CO 0.00 -0.35 0.42 1.22 0.00 0.00 0.00 176.54 177.83 3df3 n ASP 67 N -5.55 0.26 0.00 0.19 8.00 -1.17 -0.49 116.55 117.80 3df3 n ASP 67 Ca -0.11 1.48 0.00 0.00 0.71 0.00 0.00 54.79 56.86 3df3 n ASP 67 Cb 0.45 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 3df3 n ASP 67 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3df3 n LEU 68 N -5.04 0.23 -0.42 0.64 4.77 -0.99 0.13 117.00 116.32 3df3 n LEU 68 Ca 0.32 0.60 0.35 0.00 -0.03 0.00 0.00 56.01 57.26 3df3 n LEU 68 Cb 1.09 -0.16 0.66 0.00 -2.33 0.00 0.00 43.42 42.68 3df3 n LEU 68 CO -0.00 -0.16 1.29 0.03 -1.33 0.00 0.00 177.39 177.22 3df3 h ARG 69 N 0.00 0.13 0.17 3.23 2.47 -1.32 0.21 114.38 119.27 3df3 h ARG 69 Ca 0.00 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3df3 h ARG 69 Cb 0.00 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3df3 h ARG 69 CO 0.00 0.08 -0.08 0.00 0.56 0.00 0.00 179.97 180.53 3df3 h ARG 70 N 0.13 -0.22 -0.23 0.04 3.08 -0.76 -3.08 114.38 113.35 3df3 h ARG 70 Ca 0.73 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.84 3df3 h ARG 70 Cb 2.41 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 32.46 3df3 h ARG 70 CO -0.24 -0.10 -0.10 1.49 -1.07 0.00 0.00 179.97 179.94 3df3 h GLU 71 N -1.05 -0.07 -0.78 0.04 4.22 0.23 0.37 114.58 117.54 3df3 h GLU 71 Ca -0.02 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.54 3df3 h GLU 71 Cb 0.21 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3df3 h GLU 71 CO 0.04 -0.05 0.51 0.97 -2.18 0.00 0.00 179.01 178.30 3df3 h ILE 72 N -0.07 0.87 0.00 2.32 2.10 -0.80 0.57 117.51 122.51 3df3 h ILE 72 Ca 0.12 -0.20 -0.12 0.00 1.08 0.00 0.00 64.86 65.73 3df3 h ILE 72 Cb 0.25 0.23 -0.02 0.00 -1.09 0.00 0.00 36.82 36.19 3df3 h ILE 72 CO -0.28 0.11 -0.58 0.28 -1.08 0.00 0.00 178.15 176.60 3df3 h SER 73 N 0.60 0.00 0.01 2.19 0.02 -1.12 -2.17 113.55 113.08 3df3 h SER 73 Ca 0.37 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3df3 h SER 73 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3df3 h SER 73 CO -0.14 0.58 -0.01 0.24 -1.14 0.00 0.00 176.83 176.37 3df3 h MET 74 N 0.00 -0.02 -0.36 3.45 2.86 0.20 -1.70 114.93 119.36 3df3 h MET 74 Ca -0.01 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3df3 h MET 74 Cb 1.08 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 3df3 h MET 74 CO 0.08 0.42 0.10 0.66 1.06 0.00 0.00 176.91 179.23 3df3 h SER 75 N -0.47 0.07 0.24 1.22 4.64 -0.53 -0.56 113.55 118.16 3df3 h SER 75 Ca -0.00 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 3df3 h SER 75 Cb 0.45 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3df3 h SER 75 CO 0.00 0.08 -0.18 0.40 -0.87 0.00 0.00 176.83 176.26 3df3 h ILE 76 N 0.23 0.98 -0.02 0.95 2.04 -1.42 -2.90 117.51 117.37 3df3 h ILE 76 Ca 0.17 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 3df3 h ILE 76 Cb 0.17 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3df3 h ILE 76 CO -0.19 0.17 0.01 0.50 0.00 0.00 0.00 178.15 178.64 3df3 h LYS 77 N 0.00 0.03 -0.93 2.37 3.64 -0.14 -2.66 116.57 118.89 3df3 h LYS 77 Ca -0.00 -0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.58 3df3 h LYS 77 Cb 0.35 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 3df3 h LYS 77 CO 0.02 0.13 0.61 -0.09 -2.27 0.00 0.00 179.45 177.85 3df3 h ARG 78 N -0.07 0.46 -0.04 1.90 2.43 -1.24 -1.97 114.38 115.84 3df3 h ARG 78 Ca 0.01 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3df3 h ARG 78 Cb 0.11 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3df3 h ARG 78 CO -0.00 0.30 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.60 3df3 h LEU 79 N 0.47 -0.28 -1.74 3.80 3.38 -1.51 0.54 115.31 119.98 3df3 h LEU 79 Ca 0.50 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.59 3df3 h LEU 79 Cb 1.15 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 3df3 h LEU 79 CO -0.22 -0.07 0.33 0.00 0.09 0.00 0.00 178.44 178.57 3df3 h MET 80 N -0.08 0.30 -0.99 1.13 -0.00 -1.56 0.40 114.93 114.13 3df3 h MET 80 Ca 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 3df3 h MET 80 Cb 0.10 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.63 3df3 h MET 80 CO -0.08 0.20 0.02 -0.25 -0.00 0.00 0.00 176.91 176.79 3df3 n ASP 81 N -4.47 2.20 0.00 -0.10 8.00 0.01 -3.37 116.55 118.83 3df3 n ASP 81 Ca 0.07 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.52 3df3 n ASP 81 Cb 0.34 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 3df3 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3df3 n LEU 82 N 0.25 0.00 0.00 0.64 4.77 0.12 -4.93 117.00 117.85 3df3 n LEU 82 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3df3 n LEU 82 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3df3 n LEU 82 CO 0.02 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 3df3 n GLY 83 N 1.37 0.63 3.73 -0.72 0.00 -0.18 -5.08 105.19 104.95 3df3 n GLY 83 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3df3 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df3 h TYR 85 N 1.32 0.99 0.36 0.00 3.20 -1.98 -1.93 116.97 118.93 3df3 h TYR 85 Ca -0.51 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.40 3df3 h TYR 85 Cb 1.31 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.27 3df3 h TYR 85 CO 0.45 0.10 -0.40 -0.09 -1.64 0.00 0.00 178.16 176.58 3df3 h ARG 86 N 0.60 -0.76 -0.16 1.82 2.43 -1.95 -1.06 114.38 115.29 3df3 h ARG 86 Ca 0.62 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.90 3df3 h ARG 86 Cb 1.18 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.84 3df3 h ARG 86 CO -0.43 -0.51 -0.30 0.78 -1.51 0.00 0.00 179.97 178.00 3df3 h GLY 87 N -0.79 -0.37 -0.19 2.80 0.00 -1.62 -1.85 103.07 101.04 3df3 h GLY 87 Ca -0.03 0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.76 3df3 h GLY 87 CO -0.09 -0.21 -0.33 1.41 0.00 0.00 0.00 176.54 177.31 3df3 h LEU 88 N -0.36 -1.11 -1.25 3.11 3.38 -1.35 0.18 115.31 117.92 3df3 h LEU 88 Ca 0.11 0.20 0.28 0.00 0.09 0.00 0.00 57.88 58.55 3df3 h LEU 88 Cb 0.52 0.52 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 3df3 h LEU 88 CO -0.36 -0.32 0.66 0.03 0.09 0.00 0.00 178.44 178.54 3df3 h ARG 89 N -0.25 0.40 0.36 1.13 2.47 -0.43 -1.76 114.38 116.30 3df3 h ARG 89 Ca 0.17 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 3df3 h ARG 89 Cb 0.54 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3df3 h ARG 89 CO -0.55 0.27 -0.17 0.45 0.56 0.00 0.00 179.97 180.52 3df3 h HIS 90 N 0.41 -0.44 0.00 3.04 3.86 0.10 -1.92 115.15 120.20 3df3 h HIS 90 Ca 0.64 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.84 3df3 h HIS 90 Cb 1.54 0.15 0.00 0.00 1.06 0.00 0.00 27.41 30.15 3df3 h HIS 90 CO -0.00 -0.28 0.00 2.89 0.86 0.00 0.00 177.93 181.40 3df3 n ARG 91 N -4.04 0.11 0.00 2.45 1.85 -0.94 -0.21 116.66 115.88 3df3 n ARG 91 Ca -0.06 0.11 0.10 0.00 -1.00 0.00 0.00 57.85 57.00 3df3 n ARG 91 Cb 0.19 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.02 3df3 n ARG 91 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3df3 n ARG 92 N -1.12 0.31 -1.00 2.89 5.12 -0.68 -4.97 116.66 117.20 3df3 n ARG 92 Ca 0.03 -0.25 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 3df3 n ARG 92 Cb 0.02 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 3df3 n ARG 92 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3df3 n GLY 93 N 1.48 0.36 3.74 -0.13 0.00 0.71 -5.02 105.19 106.33 3df3 n GLY 93 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3df3 n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3df3 s LEU 94 N 0.00 3.62 0.81 0.99 1.43 -0.74 -3.18 118.68 121.61 3df3 s LEU 94 Ca 0.00 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.82 3df3 s LEU 94 Cb 0.00 -2.30 0.07 0.00 0.03 0.00 0.00 46.19 43.99 3df3 s LEU 94 CO 0.00 0.14 1.10 -0.81 0.23 0.00 0.00 176.35 177.01 3df3 n PRO 95 N 0.22 0.17 -0.01 1.29 -0.04 -1.26 -4.22 135.00 131.14 3df3 n PRO 95 Ca -0.09 0.13 -0.01 0.00 -0.04 0.00 0.00 63.50 63.48 3df3 n PRO 95 Cb 0.53 -2.36 -0.02 0.00 -0.04 0.00 0.00 33.50 31.62 3df3 n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3df3 n VAL 96 N -3.23 0.16 0.00 0.52 0.31 -1.26 -4.60 118.33 110.22 3df3 n VAL 96 Ca 0.13 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3df3 n VAL 96 Cb 0.50 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 3df3 n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3df3 n ARG 97 N -2.10 0.00 -0.81 5.55 3.00 -1.26 -4.76 116.66 116.27 3df3 n ARG 97 Ca -0.04 0.33 0.00 0.00 -0.01 0.00 0.00 57.85 58.13 3df3 n ARG 97 Cb 0.57 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 31.38 3df3 n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3df3 n GLY 98 N -1.32 0.46 0.00 -0.13 0.00 -1.26 -5.13 105.19 97.81 3df3 n GLY 98 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3df3 n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3df3 n GLN 99 N -0.64 2.68 -3.37 1.61 3.00 -1.26 -5.09 117.38 114.31 3df3 n GLN 99 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.54 3df3 n GLN 99 Cb 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.45 3df3 n GLN 99 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 3df3 s ARG 100 N -0.24 2.93 0.00 -1.09 1.70 -1.26 -4.92 118.95 116.07 3df3 s ARG 100 Ca 0.00 -1.57 0.10 0.00 -0.47 0.00 0.00 55.73 53.79 3df3 s ARG 100 Cb 0.00 -4.18 0.58 0.00 -0.57 0.00 0.00 34.95 30.78 3df3 s ARG 100 CO 0.00 -1.19 1.03 0.25 -1.08 0.00 0.00 175.30 174.31 3df3 n THR 101 N 5.19 0.00 0.02 4.99 -2.24 -1.26 -2.35 114.28 118.62 3df3 n THR 101 Ca -0.13 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.62 3df3 n THR 101 Cb 0.42 -0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 67.99 3df3 n THR 101 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3df3 h LYS 102 N 0.00 0.00 -3.60 -0.78 2.10 -2.05 -3.49 116.57 108.75 3df3 h LYS 102 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 3df3 h LYS 102 Cb 0.00 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.22 3df3 h LYS 102 CO 0.00 0.42 -0.15 0.95 -2.00 0.00 0.00 179.45 178.67 3df3 s THR 103 N -2.79 0.05 -0.05 0.07 -4.23 -0.99 -5.05 115.64 102.64 3df3 s THR 103 Ca -0.03 -1.09 -0.00 0.00 -1.18 0.00 0.00 61.69 59.39 3df3 s THR 103 Cb 0.08 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 72.22 3df3 s THR 103 CO 0.81 -0.22 0.01 0.59 -0.54 0.00 0.00 174.62 175.27 3df3 n ASN 104 N -0.27 -6.75 0.00 3.99 3.02 -1.26 -4.64 115.26 109.35 3df3 n ASN 104 Ca -0.09 0.67 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 3df3 n ASN 104 Cb 0.63 -2.28 0.00 0.00 -0.61 0.00 0.00 39.78 37.52 3df3 n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3df3 n ALA 105 N 1.37 0.00 -0.38 5.41 0.00 -1.26 -4.78 120.51 120.87 3df3 n ALA 105 Ca -0.01 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.76 3df3 n ALA 105 Cb 0.36 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.41 3df3 n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df3 h ARG 106 N 0.00 0.07 0.75 0.00 2.47 -1.82 0.17 114.38 116.01 3df3 h ARG 106 Ca 0.00 -0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 3df3 h ARG 106 Cb 0.44 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.75 3df3 h ARG 106 CO 0.00 0.05 -0.36 1.15 0.56 0.00 0.00 179.97 181.37 3df3 h THR 107 N 0.07 0.00 0.19 2.04 2.02 -1.92 -3.36 112.91 111.95 3df3 h THR 107 Ca 0.83 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.80 3df3 h THR 107 Cb 2.34 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3df3 h THR 107 CO -0.61 0.00 -0.10 -0.09 0.37 0.00 0.00 175.52 175.10 3df3 h ARG 108 N -1.20 -0.25 0.00 6.66 9.65 -1.33 -3.45 114.38 124.46 3df3 h ARG 108 Ca -0.10 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3df3 h ARG 108 Cb 0.77 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 3df3 h ARG 108 CO 0.17 -0.17 0.00 0.36 2.80 0.00 0.00 179.97 183.13 3df3 n LYS 109 N -2.74 1.38 -3.04 0.20 2.85 0.39 -4.89 118.16 112.30 3df3 n LYS 109 Ca -0.03 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.98 3df3 n LYS 109 Cb 0.10 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.48 3df3 n LYS 109 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3df3 s GLY 110 N -0.81 1.43 1.37 2.58 0.00 -1.26 -4.65 107.32 105.99 3df3 s GLY 110 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 44.72 43.70 3df3 s GLY 110 CO 0.00 -0.68 0.98 2.56 0.00 0.00 0.00 173.10 175.96 3df3 s PRO 111 N -4.52 -2.52 -0.46 2.90 0.04 -1.26 -4.41 135.00 124.77 3df3 s PRO 111 Ca 0.44 0.07 -0.39 0.00 0.04 0.00 0.00 61.00 61.17 3df3 s PRO 111 Cb -0.10 -1.43 -0.15 0.00 0.04 0.00 0.00 34.50 32.86 3df3 s PRO 111 CO 0.39 -4.60 2.20 0.54 0.04 0.00 0.00 177.00 175.58 3df3 n ARG 112 N -5.42 0.51 0.00 4.56 5.12 -1.26 -5.00 116.66 115.17 3df3 n ARG 112 Ca 0.13 0.13 0.12 0.00 -1.93 0.00 0.00 57.85 56.31 3df3 n ARG 112 Cb 0.60 -1.98 0.20 0.00 -1.16 0.00 0.00 32.46 30.12 3df3 n ARG 112 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33