#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n GLN 3 N 0.00 -3.44 -0.42 0.38 7.27 -1.24 -4.75 117.38 115.17 3df2 n GLN 3 Ca 0.00 2.78 -0.28 0.00 0.07 0.00 0.00 57.00 59.57 3df2 n GLN 3 Cb 0.00 -3.80 0.24 0.00 2.41 0.00 0.00 30.24 29.09 3df2 n GLN 3 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3df2 n GLU 4 N -3.77 -3.22 0.00 3.69 -0.58 -1.26 -4.52 120.64 110.98 3df2 n GLU 4 Ca -0.07 -0.94 0.00 0.00 -0.42 0.00 0.00 57.16 55.73 3df2 n GLU 4 Cb 0.61 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 3df2 n GLU 4 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3df2 n GLN 5 N -4.14 0.00 -1.32 3.49 1.13 -0.86 -4.95 117.38 110.74 3df2 n GLN 5 Ca 0.07 0.00 0.18 0.00 -1.94 0.00 0.00 57.00 55.30 3df2 n GLN 5 Cb 0.54 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.84 3df2 n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3df2 n THR 6 N 0.00 0.00 -3.23 5.09 -1.04 -1.26 -2.37 114.28 111.47 3df2 n THR 6 Ca 0.00 0.08 -0.01 0.00 -2.04 0.00 0.00 64.05 62.08 3df2 n THR 6 Cb 0.00 -0.53 -0.04 0.00 -1.82 0.00 0.00 70.33 67.95 3df2 n THR 6 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3df2 s MET 7 N -2.30 0.48 -0.17 -2.82 -1.94 -1.26 -4.09 119.30 107.20 3df2 s MET 7 Ca 0.00 0.80 -0.00 0.00 -1.71 0.00 0.00 55.69 54.77 3df2 s MET 7 Cb 0.00 0.15 0.01 0.00 2.01 0.00 0.00 34.83 36.99 3df2 s MET 7 CO 0.00 -0.66 -0.15 -0.51 -0.01 0.00 0.00 175.02 173.69 3df2 s LEU 8 N 2.74 2.42 0.88 -0.03 1.02 -0.82 -4.85 118.68 120.03 3df2 s LEU 8 Ca 0.17 -0.52 -0.10 0.00 0.02 0.00 0.00 54.13 53.70 3df2 s LEU 8 Cb -0.15 -1.56 0.12 0.00 0.02 0.00 0.00 46.19 44.62 3df2 s LEU 8 CO -0.20 0.04 1.13 0.54 0.02 0.00 0.00 176.35 177.88 3df2 s ASN 9 N 1.10 3.32 0.08 2.29 4.22 -1.25 -3.73 114.94 120.96 3df2 s ASN 9 Ca 0.00 2.08 -0.30 0.00 -2.14 0.00 0.00 52.86 52.50 3df2 s ASN 9 Cb -0.14 -2.55 -0.06 0.00 1.28 0.00 0.00 41.25 39.78 3df2 s ASN 9 CO -0.05 -2.83 1.15 -0.69 -2.04 0.00 0.00 177.10 172.64 3df2 s VAL 10 N -2.72 4.10 -0.23 3.54 1.01 -1.26 -2.13 120.40 122.71 3df2 s VAL 10 Ca 0.65 1.56 0.21 0.00 0.00 0.00 0.00 61.98 64.41 3df2 s VAL 10 Cb -0.21 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.18 3df2 s VAL 10 CO 0.57 0.15 1.08 0.00 0.00 0.00 0.00 175.10 176.90 3df2 h ALA 11 N 6.47 0.59 -3.00 5.51 0.00 -0.55 -3.46 119.26 124.81 3df2 h ALA 11 Ca -0.42 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3df2 h ALA 11 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3df2 h ALA 11 CO 0.79 0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.83 3df2 n ASP 12 N -2.78 0.70 -4.87 0.00 5.68 -1.26 0.15 116.55 114.17 3df2 n ASP 12 Ca -0.01 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 54.00 3df2 n ASP 12 Cb 0.61 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.56 3df2 n ASP 12 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3df2 s ASN 13 N -0.10 4.53 0.10 -1.12 2.20 -1.16 -4.70 114.94 114.70 3df2 s ASN 13 Ca 0.00 -1.30 0.00 0.00 -0.94 0.00 0.00 52.86 50.62 3df2 s ASN 13 Cb 0.00 0.36 0.00 0.00 -2.00 0.00 0.00 41.25 39.61 3df2 s ASN 13 CO 0.00 -1.01 0.00 -1.54 -2.94 0.00 0.00 177.10 171.61 3df2 n SER 14 N -1.63 -6.65 -2.77 3.54 3.41 -1.26 -4.67 113.62 103.59 3df2 n SER 14 Ca -0.05 0.99 -0.15 0.00 -0.26 0.00 0.00 58.87 59.40 3df2 n SER 14 Cb 0.65 -3.68 0.06 0.00 -0.26 0.00 0.00 64.21 60.98 3df2 n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3df2 n GLY 15 N 1.23 -0.14 0.00 5.00 0.00 -1.26 -4.77 105.19 105.24 3df2 n GLY 15 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3df2 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df2 n ALA 16 N -3.77 0.00 -1.41 4.61 0.00 -1.26 -4.18 120.51 114.50 3df2 n ALA 16 Ca -0.11 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.50 3df2 n ALA 16 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 3df2 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3df2 n ARG 17 N -0.06 -3.07 0.00 0.00 5.12 -1.26 -1.84 116.66 115.55 3df2 n ARG 17 Ca 0.00 2.41 0.00 0.00 -1.93 0.00 0.00 57.85 58.33 3df2 n ARG 17 Cb 0.00 -3.67 0.00 0.00 -1.16 0.00 0.00 32.46 27.63 3df2 n ARG 17 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3df2 n ARG 18 N -4.24 0.00 -3.66 5.56 1.74 -1.26 -4.39 116.66 110.40 3df2 n ARG 18 Ca -0.06 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.93 3df2 n ARG 18 Cb 0.67 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 32.01 3df2 n ARG 18 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3df2 s VAL 19 N 0.00 -0.56 -0.26 1.55 1.01 -1.24 -2.53 120.40 118.37 3df2 s VAL 19 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 3df2 s VAL 19 Cb 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 3df2 s VAL 19 CO 0.00 0.06 0.13 -0.32 0.00 0.00 0.00 175.10 174.97 3df2 s MET 20 N 2.43 3.86 0.44 2.72 0.00 -0.99 -1.95 119.30 125.82 3df2 s MET 20 Ca -0.03 -0.37 -0.23 0.00 0.00 0.00 0.00 55.69 55.06 3df2 s MET 20 Cb -0.11 -3.49 -0.08 0.00 0.00 0.00 0.00 34.83 31.15 3df2 s MET 20 CO -0.13 -0.12 1.13 0.00 0.00 0.00 0.00 175.02 175.90 3df2 n ILE 22 N -0.39 0.57 -3.28 0.00 -6.64 0.13 -2.02 119.36 107.73 3df2 n ILE 22 Ca 0.07 -0.60 0.04 0.00 -1.77 0.00 0.00 62.75 60.49 3df2 n ILE 22 Cb 0.49 0.67 -0.04 0.00 -1.44 0.00 0.00 39.64 39.31 3df2 n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 3df2 s LYS 23 N -0.63 0.02 -0.50 6.28 2.47 -1.17 -4.82 119.74 121.38 3df2 s LYS 23 Ca 0.02 0.04 -0.24 0.00 -1.56 0.00 0.00 55.97 54.23 3df2 s LYS 23 Cb 0.02 0.02 0.03 0.00 -1.46 0.00 0.00 37.83 36.44 3df2 s LYS 23 CO 0.00 -0.01 0.89 0.08 0.16 0.00 0.00 175.35 176.47 3df2 s VAL 24 N 1.79 4.49 0.63 4.02 1.01 -1.26 -1.04 120.40 130.03 3df2 s VAL 24 Ca -0.01 0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 3df2 s VAL 24 Cb -0.01 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 3df2 s VAL 24 CO -0.15 -0.94 1.04 -0.76 0.00 0.00 0.00 175.10 174.29 3df2 s LEU 25 N 3.70 3.28 0.00 3.92 1.43 -1.18 -4.74 118.68 125.09 3df2 s LEU 25 Ca 0.31 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 3df2 s LEU 25 Cb -0.12 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.61 3df2 s LEU 25 CO 0.21 -1.05 0.00 0.61 0.23 0.00 0.00 176.35 176.35 3df2 n GLY 26 N -2.14 1.12 0.00 -3.19 0.00 -1.26 -4.79 105.19 94.93 3df2 n GLY 26 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3df2 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df2 n GLY 27 N -0.02 -0.72 3.84 -0.02 0.00 -1.26 -4.84 105.19 102.17 3df2 n GLY 27 Ca 0.00 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.41 3df2 n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3df2 s SER 28 N -1.43 6.80 0.00 1.61 0.15 -1.26 -4.14 113.70 115.43 3df2 s SER 28 Ca 0.00 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.63 3df2 s SER 28 Cb 0.00 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 3df2 s SER 28 CO 0.00 0.24 0.00 1.41 1.20 0.00 0.00 173.24 176.09 3df2 n HIS 29 N 1.37 0.00 -1.49 3.44 8.25 -1.26 -4.86 115.22 120.67 3df2 n HIS 29 Ca -0.10 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.93 3df2 n HIS 29 Cb 0.52 -1.61 -0.08 0.00 1.12 0.00 0.00 29.99 29.94 3df2 n HIS 29 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3df2 n ARG 30 N -0.52 0.78 0.00 -0.41 0.63 -1.26 -4.87 116.66 111.01 3df2 n ARG 30 Ca 0.00 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 3df2 n ARG 30 Cb 0.26 -2.54 0.00 0.00 0.45 0.00 0.00 32.46 30.63 3df2 n ARG 30 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3df2 n ARG 31 N 8.55 0.00 -2.79 -0.14 1.74 -1.26 -4.76 116.66 118.00 3df2 n ARG 31 Ca 0.46 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.29 3df2 n ARG 31 Cb 0.28 -0.30 0.01 0.00 -1.02 0.00 0.00 32.46 31.43 3df2 n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3df2 s TYR 32 N 0.00 3.42 -0.22 -1.55 2.02 -1.26 -3.66 117.35 116.10 3df2 s TYR 32 Ca 0.00 0.57 -0.04 0.00 -0.37 0.00 0.00 57.07 57.24 3df2 s TYR 32 Cb 0.00 -2.32 0.12 0.00 -0.40 0.00 0.00 41.96 39.36 3df2 s TYR 32 CO 0.00 -0.33 0.36 0.00 -1.57 0.00 0.00 175.55 174.01 3df2 s ALA 33 N -2.68 -0.99 0.00 3.71 0.00 -1.26 -4.72 121.76 115.82 3df2 s ALA 33 Ca 0.48 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.38 3df2 s ALA 33 Cb -0.10 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.48 3df2 s ALA 33 CO 0.42 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.46 3df2 n GLY 34 N 5.36 4.44 4.62 0.00 0.00 -1.26 0.25 105.19 118.60 3df2 n GLY 34 Ca -0.05 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3df2 n GLY 34 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df2 n VAL 35 N 0.00 0.00 -2.75 1.61 0.24 -1.26 -2.59 118.33 113.58 3df2 n VAL 35 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 3df2 n VAL 35 Cb 0.00 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.40 3df2 n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3df2 n GLY 36 N 0.00 -0.42 3.49 7.63 0.00 -1.26 -3.24 105.19 111.40 3df2 n GLY 36 Ca 0.00 0.39 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 3df2 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3df2 s ASP 37 N -0.28 3.56 -0.16 1.61 1.01 -1.07 -4.75 116.67 116.59 3df2 s ASP 37 Ca 0.30 -1.10 -0.27 0.00 0.71 0.00 0.00 52.55 52.19 3df2 s ASP 37 Cb 0.11 -0.31 -0.01 0.00 1.01 0.00 0.00 42.92 43.73 3df2 s ASP 37 CO -0.14 -0.08 0.92 -0.63 0.21 0.00 0.00 175.17 175.46 3df2 s ILE 38 N -2.59 4.81 -0.03 0.77 -1.09 -1.26 -2.89 121.20 118.93 3df2 s ILE 38 Ca 0.31 1.83 0.01 0.00 -2.23 0.00 0.00 60.65 60.57 3df2 s ILE 38 Cb -0.02 -4.22 0.02 0.00 -1.58 0.00 0.00 42.46 36.66 3df2 s ILE 38 CO 0.15 -0.02 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.17 3df2 s ILE 39 N 2.31 0.49 0.24 2.92 -1.09 0.10 -3.10 121.20 123.08 3df2 s ILE 39 Ca 0.42 -0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.40 3df2 s ILE 39 Cb -0.17 -0.50 -0.09 0.00 -1.58 0.00 0.00 42.46 40.12 3df2 s ILE 39 CO 0.13 0.20 1.35 -0.75 -1.23 0.00 0.00 174.94 174.63 3df2 s LYS 40 N 0.64 4.35 0.09 2.79 2.47 -0.21 -1.13 119.74 128.74 3df2 s LYS 40 Ca -0.08 2.16 -0.08 0.00 -1.56 0.00 0.00 55.97 56.41 3df2 s LYS 40 Cb -0.11 -3.14 -0.01 0.00 -1.46 0.00 0.00 37.83 33.10 3df2 s LYS 40 CO -0.00 -0.29 0.17 -1.50 0.16 0.00 0.00 175.35 173.89 3df2 s ILE 41 N -0.17 0.14 -0.13 5.43 2.07 0.66 0.20 121.20 129.41 3df2 s ILE 41 Ca 0.56 -1.29 0.01 0.00 -1.41 0.00 0.00 60.65 58.52 3df2 s ILE 41 Cb -0.39 -1.42 0.02 0.00 0.13 0.00 0.00 42.46 40.80 3df2 s ILE 41 CO 0.42 -0.66 -0.16 -0.89 -1.91 0.00 0.00 174.94 171.75 3df2 s THR 42 N -3.88 1.60 -0.41 4.00 2.01 0.35 -1.14 115.64 118.17 3df2 s THR 42 Ca 0.07 -0.68 -0.28 0.00 0.31 0.00 0.00 61.69 61.11 3df2 s THR 42 Cb 0.05 -1.47 -0.08 0.00 0.01 0.00 0.00 72.50 71.01 3df2 s THR 42 CO -0.10 0.46 2.34 -0.38 -0.69 0.00 0.00 174.62 176.25 3df2 n ILE 43 N 4.46 0.11 -1.07 1.82 2.08 0.40 -2.34 119.36 124.81 3df2 n ILE 43 Ca -0.18 -0.56 -0.06 0.00 0.56 0.00 0.00 62.75 62.51 3df2 n ILE 43 Cb 0.51 -2.41 0.30 0.00 -0.75 0.00 0.00 39.64 37.28 3df2 n ILE 43 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3df2 n LYS 44 N 8.78 3.61 0.00 0.38 4.76 -1.17 -1.34 118.16 133.18 3df2 n LYS 44 Ca 0.37 -3.09 0.00 0.00 -2.87 0.00 0.00 58.31 52.72 3df2 n LYS 44 Cb 0.43 -2.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 3df2 n LYS 44 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3df2 n GLU 45 N -0.23 0.00 -1.39 1.97 -0.58 -1.05 -4.75 120.64 114.61 3df2 n GLU 45 Ca 0.41 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 57.32 3df2 n GLU 45 Cb 1.38 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 32.15 3df2 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3df2 n ALA 46 N -1.45 -3.66 -2.64 0.62 0.00 -0.77 -4.44 120.51 108.18 3df2 n ALA 46 Ca 0.00 0.91 -0.21 0.00 0.00 0.00 0.00 53.44 54.14 3df2 n ALA 46 Cb 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 19.45 17.92 3df2 n ALA 46 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3df2 s ILE 47 N -4.24 4.62 0.14 0.00 2.07 -1.26 -4.70 121.20 117.82 3df2 s ILE 47 Ca 0.00 -0.82 -0.25 0.00 -1.41 0.00 0.00 60.65 58.16 3df2 s ILE 47 Cb 0.00 -3.64 -0.02 0.00 0.13 0.00 0.00 42.46 38.93 3df2 s ILE 47 CO 0.00 -0.31 1.62 1.55 -1.91 0.00 0.00 174.94 175.89 3df2 h PRO 48 N 0.88 -0.37 0.00 3.50 0.13 -2.00 -3.40 132.00 130.74 3df2 h PRO 48 Ca -0.49 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3df2 h PRO 48 Cb 1.24 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3df2 h PRO 48 CO 0.58 -0.24 0.00 0.54 -0.23 0.00 0.00 178.00 178.64 3df2 n ARG 49 N -5.40 0.00 0.00 0.86 1.74 -1.26 -4.99 116.66 107.61 3df2 n ARG 49 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3df2 n ARG 49 Cb 0.32 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 3df2 n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3df2 n GLY 50 N 3.44 2.00 0.00 -0.13 0.00 -1.26 -4.54 105.19 104.69 3df2 n GLY 50 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3df2 n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3df2 n LYS 51 N 10.21 0.00 -3.37 1.61 4.81 -1.26 -4.97 118.16 125.19 3df2 n LYS 51 Ca 0.00 -0.08 -0.26 0.00 -0.87 0.00 0.00 58.31 57.10 3df2 n LYS 51 Cb 0.00 -0.14 -0.09 0.00 0.02 0.00 0.00 35.03 34.82 3df2 n LYS 51 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3df2 n VAL 52 N 0.00 -0.74 -0.83 3.15 0.24 -1.26 -5.03 118.33 113.85 3df2 n VAL 52 Ca 0.00 -3.76 -0.32 0.00 -2.04 0.00 0.00 64.34 58.21 3df2 n VAL 52 Cb 0.39 -1.80 0.14 0.00 -1.47 0.00 0.00 33.84 31.10 3df2 n VAL 52 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3df2 n LYS 53 N 2.28 -0.23 -0.51 7.34 0.00 -1.26 -4.50 118.16 121.28 3df2 n LYS 53 Ca 0.27 -0.01 -0.25 0.00 -0.00 0.00 0.00 58.31 58.32 3df2 n LYS 53 Cb 0.48 -2.19 0.19 0.00 -0.00 0.00 0.00 35.03 33.52 3df2 n LYS 53 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3df2 n LYS 54 N -3.03 -2.61 -0.42 -1.58 0.00 -1.26 -3.13 118.16 106.13 3df2 n LYS 54 Ca 0.11 -0.76 0.00 0.00 -0.00 0.00 0.00 58.31 57.65 3df2 n LYS 54 Cb 0.52 -1.68 0.00 0.00 -0.00 0.00 0.00 35.03 33.88 3df2 n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3df2 n GLY 55 N 2.12 0.77 3.80 2.58 0.00 -0.45 -4.94 105.19 109.07 3df2 n GLY 55 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3df2 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3df2 s ASP 56 N -2.59 6.73 -0.21 1.61 1.01 -1.18 -4.82 116.67 117.21 3df2 s ASP 56 Ca 0.00 1.90 0.01 0.00 0.71 0.00 0.00 52.55 55.17 3df2 s ASP 56 Cb 0.00 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.41 3df2 s ASP 56 CO 0.00 -0.51 -0.09 -0.69 0.21 0.00 0.00 175.17 174.09 3df2 s VAL 57 N -1.88 1.62 0.22 -1.27 1.01 -1.26 -0.46 120.40 118.39 3df2 s VAL 57 Ca 0.61 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3df2 s VAL 57 Cb -0.17 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 3df2 s VAL 57 CO 0.21 0.10 0.38 -1.48 0.00 0.00 0.00 175.10 174.31 3df2 s LEU 58 N 1.39 0.57 0.44 3.92 2.34 -0.30 -4.97 118.68 122.07 3df2 s LEU 58 Ca -0.03 -0.97 -0.06 0.00 0.06 0.00 0.00 54.13 53.13 3df2 s LEU 58 Cb -0.17 1.44 -0.04 0.00 -0.56 0.00 0.00 46.19 46.86 3df2 s LEU 58 CO -0.08 -1.04 0.75 -1.59 -1.06 0.00 0.00 176.35 173.33 3df2 s LYS 59 N -4.02 3.61 0.00 1.48 -2.85 -1.26 -0.24 119.74 116.45 3df2 s LYS 59 Ca 0.23 0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 55.13 3df2 s LYS 59 Cb 0.01 -2.42 0.07 0.00 -2.06 0.00 0.00 37.83 33.43 3df2 s LYS 59 CO 0.07 -0.10 0.67 0.00 0.10 0.00 0.00 175.35 176.09 3df2 s ALA 60 N -2.56 -1.73 0.03 0.59 0.00 -0.28 -2.45 121.76 115.35 3df2 s ALA 60 Ca 0.48 1.10 -0.00 0.00 0.00 0.00 0.00 51.96 53.53 3df2 s ALA 60 Cb -0.10 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3df2 s ALA 60 CO 0.40 -0.48 0.14 0.14 0.00 0.00 0.00 175.76 175.95 3df2 s VAL 61 N -1.90 5.02 0.64 0.00 -7.23 -1.08 0.03 120.40 115.87 3df2 s VAL 61 Ca -0.07 -0.42 -0.09 0.00 -1.81 0.00 0.00 61.98 59.59 3df2 s VAL 61 Cb -0.00 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.57 3df2 s VAL 61 CO 0.03 0.25 1.00 -0.69 -0.31 0.00 0.00 175.10 175.38 3df2 s VAL 62 N -1.34 3.81 0.00 1.32 1.01 -1.14 0.65 120.40 124.71 3df2 s VAL 62 Ca 0.28 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3df2 s VAL 62 Cb -0.12 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3df2 s VAL 62 CO 0.20 -0.66 0.00 0.52 0.00 0.00 0.00 175.10 175.17 3df2 n VAL 63 N -2.77 0.00 -3.48 2.92 0.31 -0.27 -4.06 118.33 110.98 3df2 n VAL 63 Ca 0.05 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.19 3df2 n VAL 63 Cb 0.57 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.37 3df2 n VAL 63 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3df2 s ARG 64 N -0.61 0.21 -0.20 5.55 3.00 -1.17 -4.51 118.95 121.23 3df2 s ARG 64 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 55.73 55.64 3df2 s ARG 64 Cb 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 34.95 33.78 3df2 s ARG 64 CO 0.00 -0.78 0.23 0.95 0.00 0.00 0.00 175.30 175.70 3df2 s THR 65 N 2.30 5.34 0.51 0.02 -4.23 -1.26 -1.90 115.64 116.42 3df2 s THR 65 Ca 0.07 0.37 0.30 0.00 -1.18 0.00 0.00 61.69 61.25 3df2 s THR 65 Cb -0.15 -3.56 0.48 0.00 1.34 0.00 0.00 72.50 70.60 3df2 s THR 65 CO -0.19 0.38 1.86 0.11 -0.54 0.00 0.00 174.62 176.23 3df2 h LYS 66 N 6.97 0.08 -0.10 3.99 1.79 -1.82 0.17 116.57 127.65 3df2 h LYS 66 Ca -0.40 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.03 3df2 h LYS 66 Cb 1.16 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3df2 h LYS 66 CO 0.73 0.05 -0.11 -0.22 -1.08 0.00 0.00 179.45 178.83 3df2 h LYS 67 N 0.09 0.25 0.00 3.15 3.11 -1.93 -3.42 116.57 117.81 3df2 h LYS 67 Ca 0.47 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 58.18 3df2 h LYS 67 Cb 1.73 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.96 3df2 h LYS 67 CO -0.05 0.67 0.00 0.41 -2.81 0.00 0.00 179.45 177.67 3df2 n GLY 68 N 0.24 0.84 2.78 5.01 0.00 0.59 -4.75 105.19 109.89 3df2 n GLY 68 Ca -0.07 -2.18 -0.19 0.00 0.00 0.00 0.00 46.02 43.58 3df2 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df2 s VAL 69 N -1.18 0.16 0.09 1.61 1.01 0.50 -4.89 120.40 117.70 3df2 s VAL 69 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 3df2 s VAL 69 Cb 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 3df2 s VAL 69 CO 0.00 0.17 0.27 0.00 0.00 0.00 0.00 175.10 175.55 3df2 s ARG 70 N 1.43 3.51 0.01 2.72 1.70 -1.26 -0.54 118.95 126.52 3df2 s ARG 70 Ca -0.04 -0.30 -0.00 0.00 -0.47 0.00 0.00 55.73 54.92 3df2 s ARG 70 Cb -0.13 -2.97 -0.04 0.00 -0.57 0.00 0.00 34.95 31.24 3df2 s ARG 70 CO -0.03 0.56 0.11 1.03 -1.08 0.00 0.00 175.30 175.90 3df2 s ARG 71 N -2.54 3.15 0.00 3.89 1.81 0.14 -4.96 118.95 120.45 3df2 s ARG 71 Ca 0.37 -0.48 0.00 0.00 -1.72 0.00 0.00 55.73 53.90 3df2 s ARG 71 Cb -0.13 -2.90 0.00 0.00 -0.45 0.00 0.00 34.95 31.47 3df2 s ARG 71 CO 0.26 0.64 0.00 -2.30 -0.68 0.00 0.00 175.30 173.22 3df2 n PRO 72 N 0.94 0.00 0.00 3.54 -0.02 -1.26 0.13 135.00 138.33 3df2 n PRO 72 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 3df2 n PRO 72 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 3df2 n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3df2 n ASP 73 N -2.69 0.00 0.00 2.55 5.75 -1.26 -4.73 116.55 116.17 3df2 n ASP 73 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 3df2 n ASP 73 Cb 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 3df2 n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3df2 n GLY 74 N -1.14 2.81 3.50 6.12 0.00 0.34 -5.05 105.19 111.77 3df2 n GLY 74 Ca 0.00 -0.63 -0.45 0.00 0.00 0.00 0.00 46.02 44.94 3df2 n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3df2 n SER 75 N 0.47 0.08 -4.28 1.61 3.41 -1.22 -4.48 113.62 109.21 3df2 n SER 75 Ca 0.00 1.12 -0.24 0.00 -0.26 0.00 0.00 58.87 59.49 3df2 n SER 75 Cb 0.00 -1.15 -0.12 0.00 -0.26 0.00 0.00 64.21 62.68 3df2 n SER 75 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3df2 s VAL 76 N -1.11 1.70 -0.16 -3.33 1.01 -1.26 0.28 120.40 117.53 3df2 s VAL 76 Ca 0.61 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3df2 s VAL 76 Cb -0.76 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3df2 s VAL 76 CO 0.58 -0.06 -0.14 -0.63 0.00 0.00 0.00 175.10 174.85 3df2 s ILE 77 N -1.16 1.66 -0.01 2.22 1.01 0.30 -4.94 121.20 120.27 3df2 s ILE 77 Ca 0.06 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3df2 s ILE 77 Cb -0.10 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.80 3df2 s ILE 77 CO 0.04 0.43 -0.05 0.00 0.00 0.00 0.00 174.94 175.36 3df2 s ARG 78 N 1.44 0.50 -0.17 2.79 1.70 -1.26 -0.37 118.95 123.59 3df2 s ARG 78 Ca 0.04 -0.16 -0.03 0.00 -0.47 0.00 0.00 55.73 55.11 3df2 s ARG 78 Cb -0.13 -0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 33.72 3df2 s ARG 78 CO -0.11 0.06 -0.05 -0.06 -1.08 0.00 0.00 175.30 174.07 3df2 s PHE 79 N 0.15 2.97 -1.10 5.89 0.40 -1.25 -4.98 117.98 120.06 3df2 s PHE 79 Ca -0.01 -0.51 -0.23 0.00 -0.60 0.00 0.00 56.93 55.58 3df2 s PHE 79 Cb -0.05 -1.98 -0.06 0.00 0.51 0.00 0.00 43.02 41.44 3df2 s PHE 79 CO -0.00 -0.20 1.90 0.16 0.70 0.00 0.00 175.22 177.78 3df2 s ASP 80 N 0.66 5.28 0.00 1.36 -4.77 -1.26 -3.72 116.67 114.22 3df2 s ASP 80 Ca -0.03 -1.42 0.00 0.00 -3.30 0.00 0.00 52.55 47.80 3df2 s ASP 80 Cb -0.15 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.11 3df2 s ASP 80 CO 0.02 -2.75 0.00 0.61 0.70 0.00 0.00 175.17 173.75 3df2 n GLY 81 N 6.14 3.05 3.56 2.12 0.00 -1.26 -5.05 105.19 113.75 3df2 n GLY 81 Ca 0.43 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 3df2 n GLY 81 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3df2 s ASN 82 N 0.00 1.74 -0.24 1.61 0.01 -1.24 -4.63 114.94 112.18 3df2 s ASN 82 Ca 0.00 1.65 -0.30 0.00 -0.71 0.00 0.00 52.86 53.51 3df2 s ASN 82 Cb 0.00 -2.33 0.17 0.00 0.41 0.00 0.00 41.25 39.50 3df2 s ASN 82 CO 0.00 -3.75 1.23 0.00 -1.51 0.00 0.00 177.10 173.07 3df2 s ALA 83 N -2.58 -2.05 0.28 0.60 0.00 -0.80 -3.93 121.76 113.29 3df2 s ALA 83 Ca 0.67 1.78 -0.02 0.00 0.00 0.00 0.00 51.96 54.39 3df2 s ALA 83 Cb -0.23 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 3df2 s ALA 83 CO 0.62 -0.27 0.35 0.00 0.00 0.00 0.00 175.76 176.46 3df2 s VAL 85 N -3.60 0.87 0.34 0.00 1.01 0.21 0.24 120.40 119.46 3df2 s VAL 85 Ca 0.33 -1.24 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 3df2 s VAL 85 Cb 0.02 -1.57 -0.11 0.00 0.00 0.00 0.00 36.38 34.73 3df2 s VAL 85 CO 0.17 -0.55 1.49 -1.48 0.00 0.00 0.00 175.10 174.73 3df2 s LEU 86 N 1.64 4.34 0.16 3.92 2.34 -1.26 -2.65 118.68 127.17 3df2 s LEU 86 Ca 0.07 2.95 0.01 0.00 0.06 0.00 0.00 54.13 57.22 3df2 s LEU 86 Cb -0.17 -3.65 -0.04 0.00 -0.56 0.00 0.00 46.19 41.76 3df2 s LEU 86 CO -0.21 -0.83 0.00 -1.48 -1.06 0.00 0.00 176.35 172.78 3df2 s LEU 87 N -1.54 2.10 0.22 1.48 2.34 -1.03 -3.75 118.68 118.50 3df2 s LEU 87 Ca 0.55 -1.16 -0.26 0.00 0.06 0.00 0.00 54.13 53.33 3df2 s LEU 87 Cb -0.46 0.01 -0.16 0.00 -0.56 0.00 0.00 46.19 45.03 3df2 s LEU 87 CO 0.57 -0.59 0.44 -3.20 -1.06 0.00 0.00 176.35 172.50 3df2 n ASN 88 N -0.19 -1.39 0.00 1.48 4.05 0.32 -4.42 115.26 115.11 3df2 n ASN 88 Ca -0.07 1.03 0.00 0.00 0.45 0.00 0.00 54.58 55.99 3df2 n ASN 88 Cb 0.63 -0.89 0.00 0.00 1.23 0.00 0.00 39.78 40.75 3df2 n ASN 88 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 3df2 n ASN 89 N 1.94 0.00 0.00 1.20 4.05 -1.26 -3.81 115.26 117.37 3df2 n ASN 89 Ca 0.16 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.19 3df2 n ASN 89 Cb 0.26 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.27 3df2 n ASN 89 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 3df2 n ASN 90 N 0.00 0.00 -2.55 1.20 6.94 -1.26 -3.40 115.26 116.19 3df2 n ASN 90 Ca 0.00 0.76 -0.15 0.00 -0.02 0.00 0.00 54.58 55.17 3df2 n ASN 90 Cb 0.00 -0.26 -0.08 0.00 -2.36 0.00 0.00 39.78 37.08 3df2 n ASN 90 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3df2 n SER 91 N -1.75 4.39 0.00 0.53 7.64 -1.26 -4.95 113.62 118.22 3df2 n SER 91 Ca 0.00 -2.24 0.00 0.00 1.01 0.00 0.00 58.87 57.64 3df2 n SER 91 Cb 0.00 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 3df2 n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3df2 n GLU 92 N 3.18 0.00 -1.59 1.43 -0.58 -1.22 -4.86 120.64 116.99 3df2 n GLU 92 Ca 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 3df2 n GLU 92 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 3df2 n GLU 92 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3df2 n GLN 93 N 2.32 -4.00 -0.51 3.49 1.13 -1.26 -3.36 117.38 115.18 3df2 n GLN 93 Ca 0.00 3.03 -0.20 0.00 -1.94 0.00 0.00 57.00 57.89 3df2 n GLN 93 Cb 0.00 -3.61 0.16 0.00 0.11 0.00 0.00 30.24 26.90 3df2 n GLN 93 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3df2 n PRO 94 N -1.49 -2.43 0.00 -1.09 -0.04 -1.26 -0.52 135.00 128.17 3df2 n PRO 94 Ca 0.00 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 3df2 n PRO 94 Cb 0.15 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3df2 n PRO 94 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3df2 n ILE 95 N -4.51 0.00 -3.77 0.52 0.13 -1.25 -3.81 119.36 106.68 3df2 n ILE 95 Ca 0.06 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.36 3df2 n ILE 95 Cb 0.39 1.14 -0.09 0.00 -0.84 0.00 0.00 39.64 40.24 3df2 n ILE 95 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 3df2 s GLY 96 N 0.00 2.01 0.43 4.50 0.00 -1.26 -4.97 107.32 108.02 3df2 s GLY 96 Ca 0.00 -0.73 0.12 0.00 0.00 0.00 0.00 44.72 44.11 3df2 s GLY 96 CO 0.00 0.16 2.01 -0.91 0.00 0.00 0.00 173.10 174.36 3df2 h THR 97 N 4.76 0.96 -3.29 0.90 1.35 -1.98 -3.44 112.91 112.18 3df2 h THR 97 Ca -0.40 -0.15 -0.35 0.00 -0.55 0.00 0.00 66.41 64.95 3df2 h THR 97 Cb 1.16 0.48 -0.14 0.00 -1.73 0.00 0.00 68.15 67.91 3df2 h THR 97 CO 0.73 0.08 -0.71 -0.13 -0.25 0.00 0.00 175.52 175.25 3df2 s ARG 98 N -5.42 1.14 -0.01 4.72 1.81 -1.26 -5.10 118.95 114.83 3df2 s ARG 98 Ca -0.08 -1.50 0.05 0.00 -1.72 0.00 0.00 55.73 52.48 3df2 s ARG 98 Cb 0.19 -0.71 -0.01 0.00 -0.45 0.00 0.00 34.95 33.97 3df2 s ARG 98 CO 0.74 0.07 -0.16 0.42 -0.68 0.00 0.00 175.30 175.69 3df2 s ILE 99 N -3.28 1.30 0.46 1.52 1.09 -1.26 -2.97 121.20 118.06 3df2 s ILE 99 Ca 0.19 -0.70 0.07 0.00 -1.10 0.00 0.00 60.65 59.11 3df2 s ILE 99 Cb 0.02 -1.09 -0.01 0.00 -1.06 0.00 0.00 42.46 40.33 3df2 s ILE 99 CO 0.03 0.37 0.37 -0.36 -0.10 0.00 0.00 174.94 175.25 3df2 s PHE 100 N -0.36 2.36 0.53 3.97 0.40 0.39 -4.76 117.98 120.51 3df2 s PHE 100 Ca 0.06 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 3df2 s PHE 100 Cb -0.07 -2.08 0.00 0.00 0.51 0.00 0.00 43.02 41.39 3df2 s PHE 100 CO -0.00 -0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.11 3df2 n GLY 101 N -1.59 -2.80 3.66 4.36 0.00 -1.26 -4.73 105.19 102.82 3df2 n GLY 101 Ca 0.02 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 3df2 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3df2 s PRO 102 N -4.29 0.61 0.00 1.61 0.04 -1.26 -4.59 135.00 127.13 3df2 s PRO 102 Ca 0.00 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.91 3df2 s PRO 102 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 3df2 s PRO 102 CO 0.00 -2.70 0.00 1.33 0.04 0.00 0.00 177.00 175.67 3df2 n VAL 103 N -4.20 0.00 -4.12 -0.36 0.24 -1.26 -4.86 118.33 103.78 3df2 n VAL 103 Ca 0.06 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.18 3df2 n VAL 103 Cb 0.55 -0.08 -0.16 0.00 -1.47 0.00 0.00 33.84 32.68 3df2 n VAL 103 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3df2 s THR 104 N 0.20 0.43 -0.71 3.34 -4.23 -0.05 -4.34 115.64 110.28 3df2 s THR 104 Ca 0.00 -0.09 0.06 0.00 -1.18 0.00 0.00 61.69 60.48 3df2 s THR 104 Cb 0.00 -0.46 0.06 0.00 1.34 0.00 0.00 72.50 73.44 3df2 s THR 104 CO 0.00 0.19 1.15 -2.11 -0.54 0.00 0.00 174.62 173.31 3df2 n ARG 105 N 3.88 0.04 0.23 3.99 0.00 -1.04 -0.43 116.66 123.33 3df2 n ARG 105 Ca -0.24 0.51 0.11 0.00 -0.00 0.00 0.00 57.85 58.23 3df2 n ARG 105 Cb 0.52 -1.66 0.49 0.00 -0.00 0.00 0.00 32.46 31.80 3df2 n ARG 105 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3df2 h GLU 106 N 0.00 0.00 -0.00 2.89 3.07 -1.95 -2.40 114.58 116.19 3df2 h GLU 106 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3df2 h GLU 106 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3df2 h GLU 106 CO 0.00 0.19 -0.03 1.28 -1.40 0.00 0.00 179.01 179.05 3df2 n LEU 107 N -3.34 0.08 -0.43 1.33 4.77 0.43 -4.10 117.00 115.74 3df2 n LEU 107 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3df2 n LEU 107 Cb 0.41 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3df2 n LEU 107 CO 0.32 0.02 0.06 -2.11 -1.33 0.00 0.00 177.39 174.35 3df2 n ARG 108 N -1.28 0.21 -2.11 3.23 1.85 -0.91 -4.24 116.66 113.42 3df2 n ARG 108 Ca 0.13 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.58 3df2 n ARG 108 Cb 0.26 -1.09 -0.01 0.00 -1.05 0.00 0.00 32.46 30.57 3df2 n ARG 108 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3df2 s SER 109 N -0.93 6.53 0.00 2.89 1.04 -1.26 -4.81 113.70 117.16 3df2 s SER 109 Ca 0.00 2.64 0.00 0.00 0.48 0.00 0.00 55.95 59.07 3df2 s SER 109 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 3df2 s SER 109 CO 0.00 -0.70 0.09 -0.62 0.98 0.00 0.00 173.24 173.00 3df2 n GLU 110 N 0.41 0.11 0.00 4.02 4.71 -1.26 -0.48 120.64 128.15 3df2 n GLU 110 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.18 3df2 n GLU 110 Cb 0.43 -1.02 -0.00 0.00 -1.01 0.00 0.00 31.44 29.84 3df2 n GLU 110 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3df2 n LYS 111 N -0.19 3.69 -0.00 3.49 0.00 -1.26 -4.65 118.16 119.24 3df2 n LYS 111 Ca 0.00 -0.24 0.01 0.00 -0.00 0.00 0.00 58.31 58.07 3df2 n LYS 111 Cb 0.01 -0.78 -0.01 0.00 -0.00 0.00 0.00 35.03 34.25 3df2 n LYS 111 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3df2 n PHE 112 N -0.61 0.00 0.00 5.58 0.99 0.36 -4.86 117.46 118.93 3df2 n PHE 112 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 3df2 n PHE 112 Cb 0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 3df2 n PHE 112 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 3df2 n MET 113 N -1.50 0.00 -0.29 -1.08 2.81 -0.96 0.37 117.12 116.47 3df2 n MET 113 Ca -0.00 0.00 0.27 0.00 -1.81 0.00 0.00 57.70 56.16 3df2 n MET 113 Cb 0.03 0.00 0.48 0.00 -0.71 0.00 0.00 33.22 33.02 3df2 n MET 113 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3df2 n LYS 114 N -2.23 -0.04 -0.08 0.03 3.00 -1.26 -1.22 118.16 116.36 3df2 n LYS 114 Ca 0.00 1.03 -0.15 0.00 -0.00 0.00 0.00 58.31 59.18 3df2 n LYS 114 Cb 0.00 -1.91 -0.11 0.00 0.00 0.00 0.00 35.03 33.01 3df2 n LYS 114 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 3df2 h ILE 115 N 0.00 1.34 0.00 3.15 2.10 -0.48 -3.32 117.51 120.31 3df2 h ILE 115 Ca 0.66 -2.16 0.00 0.00 1.08 0.00 0.00 64.86 64.45 3df2 h ILE 115 Cb 1.91 2.69 0.00 0.00 -1.09 0.00 0.00 36.82 40.33 3df2 h ILE 115 CO -0.50 0.46 0.00 2.30 -1.08 0.00 0.00 178.15 179.32 3df2 n ILE 116 N -4.57 0.09 -1.30 2.19 -6.64 -0.36 -2.61 119.36 106.17 3df2 n ILE 116 Ca -0.16 0.02 -0.32 0.00 -1.77 0.00 0.00 62.75 60.52 3df2 n ILE 116 Cb 0.50 -0.96 0.10 0.00 -1.44 0.00 0.00 39.64 37.85 3df2 n ILE 116 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 3df2 n SER 117 N -1.02 6.71 -4.10 7.28 3.41 -0.81 -4.94 113.62 120.14 3df2 n SER 117 Ca 0.03 -3.74 -0.21 0.00 -0.26 0.00 0.00 58.87 54.69 3df2 n SER 117 Cb 0.01 -0.94 -0.15 0.00 -0.26 0.00 0.00 64.21 62.87 3df2 n SER 117 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3df2 s LEU 118 N -3.68 2.06 0.00 1.04 1.02 -1.07 -5.05 118.68 112.99 3df2 s LEU 118 Ca 0.63 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.49 3df2 s LEU 118 Cb 0.50 -0.66 0.00 0.00 0.02 0.00 0.00 46.19 46.05 3df2 s LEU 118 CO 0.02 0.13 0.00 0.00 0.02 0.00 0.00 176.35 176.53 3df2 n ALA 119 N 2.58 0.00 0.00 4.21 0.00 -1.26 -4.45 120.51 121.58 3df2 n ALA 119 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3df2 n ALA 119 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3df2 n ALA 119 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3df2 n PRO 120 N -0.81 0.00 0.00 0.00 -0.02 -1.26 -4.96 135.00 127.94 3df2 n PRO 120 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3df2 n PRO 120 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3df2 n PRO 120 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3df2 n GLU 121 N 0.00 0.00 0.00 -0.52 1.02 -1.26 -4.93 120.64 114.94 3df2 n GLU 121 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3df2 n GLU 121 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3df2 n GLU 121 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59