#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n GLN 3 N 0.00 -3.28 -0.45 0.38 7.27 -1.24 -4.75 117.38 115.31 3df4 n GLN 3 Ca 0.00 2.63 -0.28 0.00 0.07 0.00 0.00 57.00 59.42 3df4 n GLN 3 Cb 0.00 -3.56 0.23 0.00 2.41 0.00 0.00 30.24 29.32 3df4 n GLN 3 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3df4 n GLU 4 N -3.53 -3.06 0.00 3.69 -0.58 -1.26 -4.51 120.64 111.39 3df4 n GLU 4 Ca -0.06 -0.89 0.00 0.00 -0.42 0.00 0.00 57.16 55.79 3df4 n GLU 4 Cb 0.55 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 3df4 n GLU 4 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3df4 n GLN 5 N -4.01 0.00 -1.40 3.49 1.13 -0.77 -4.95 117.38 110.87 3df4 n GLN 5 Ca 0.06 0.00 0.19 0.00 -1.94 0.00 0.00 57.00 55.31 3df4 n GLN 5 Cb 0.54 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.84 3df4 n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3df4 n THR 6 N 0.00 0.00 -3.19 5.09 -1.04 -1.26 -2.29 114.28 111.58 3df4 n THR 6 Ca 0.00 0.02 0.01 0.00 -2.04 0.00 0.00 64.05 62.04 3df4 n THR 6 Cb 0.00 -0.49 -0.02 0.00 -1.82 0.00 0.00 70.33 67.99 3df4 n THR 6 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3df4 s MET 7 N -2.22 0.52 -0.17 -2.82 -1.94 -1.26 -4.11 119.30 107.30 3df4 s MET 7 Ca 0.00 0.91 0.00 0.00 -1.71 0.00 0.00 55.69 54.89 3df4 s MET 7 Cb 0.00 0.34 0.01 0.00 2.01 0.00 0.00 34.83 37.18 3df4 s MET 7 CO 0.00 -0.63 -0.16 -0.51 -0.01 0.00 0.00 175.02 173.72 3df4 s LEU 8 N 2.79 2.38 0.84 -0.03 1.02 -0.81 -4.86 118.68 120.02 3df4 s LEU 8 Ca 0.19 -0.54 -0.11 0.00 0.02 0.00 0.00 54.13 53.69 3df4 s LEU 8 Cb -0.15 -1.55 0.10 0.00 0.02 0.00 0.00 46.19 44.61 3df4 s LEU 8 CO -0.20 0.03 1.15 0.54 0.02 0.00 0.00 176.35 177.90 3df4 s ASN 9 N 1.12 3.51 0.08 2.29 4.22 -1.25 -3.76 114.94 121.14 3df4 s ASN 9 Ca 0.00 2.17 -0.31 0.00 -2.14 0.00 0.00 52.86 52.59 3df4 s ASN 9 Cb -0.14 -2.56 -0.06 0.00 1.28 0.00 0.00 41.25 39.76 3df4 s ASN 9 CO -0.06 -2.71 1.20 -0.69 -2.04 0.00 0.00 177.10 172.80 3df4 s VAL 10 N -2.53 3.95 -0.27 3.54 1.01 -1.26 -2.17 120.40 122.67 3df4 s VAL 10 Ca 0.68 1.43 0.23 0.00 0.00 0.00 0.00 61.98 64.32 3df4 s VAL 10 Cb -0.23 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.28 3df4 s VAL 10 CO 0.54 0.13 1.13 0.00 0.00 0.00 0.00 175.10 176.90 3df4 h ALA 11 N 6.54 0.57 -3.00 5.51 0.00 -0.45 -3.46 119.26 124.96 3df4 h ALA 11 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3df4 h ALA 11 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3df4 h ALA 11 CO 0.80 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.65 3df4 n ASP 12 N -2.73 0.80 -4.86 0.00 5.68 -1.26 0.16 116.55 114.34 3df4 n ASP 12 Ca 0.01 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 54.03 3df4 n ASP 12 Cb 0.55 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.50 3df4 n ASP 12 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3df4 s ASN 13 N -0.01 4.54 0.09 -1.12 2.20 -1.15 -4.70 114.94 114.78 3df4 s ASN 13 Ca 0.00 -1.27 0.00 0.00 -0.94 0.00 0.00 52.86 50.65 3df4 s ASN 13 Cb 0.00 0.28 0.00 0.00 -2.00 0.00 0.00 41.25 39.53 3df4 s ASN 13 CO 0.00 -0.97 0.00 -1.54 -2.94 0.00 0.00 177.10 171.65 3df4 n SER 14 N -1.60 -6.47 -2.62 3.54 3.41 -1.26 -4.66 113.62 103.96 3df4 n SER 14 Ca -0.04 0.96 -0.15 0.00 -0.26 0.00 0.00 58.87 59.38 3df4 n SER 14 Cb 0.65 -3.57 0.06 0.00 -0.26 0.00 0.00 64.21 61.09 3df4 n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3df4 n GLY 15 N 1.17 -0.08 0.00 5.00 0.00 -1.26 -4.77 105.19 105.25 3df4 n GLY 15 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3df4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df4 n ALA 16 N -3.82 0.00 -1.40 4.61 0.00 -1.26 -4.15 120.51 114.49 3df4 n ALA 16 Ca -0.07 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.54 3df4 n ALA 16 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 3df4 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3df4 n ARG 17 N -0.09 -3.06 0.00 0.00 5.12 -1.26 -1.91 116.66 115.47 3df4 n ARG 17 Ca 0.00 2.41 0.00 0.00 -1.93 0.00 0.00 57.85 58.33 3df4 n ARG 17 Cb 0.00 -3.65 0.00 0.00 -1.16 0.00 0.00 32.46 27.65 3df4 n ARG 17 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3df4 n ARG 18 N -4.23 0.00 -3.66 5.56 1.74 -1.26 -4.39 116.66 110.42 3df4 n ARG 18 Ca -0.06 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.93 3df4 n ARG 18 Cb 0.66 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 32.01 3df4 n ARG 18 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3df4 s VAL 19 N 0.00 -0.55 -0.25 1.55 1.01 -1.25 -2.60 120.40 118.31 3df4 s VAL 19 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 3df4 s VAL 19 Cb 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 3df4 s VAL 19 CO 0.00 0.06 0.12 -0.32 0.00 0.00 0.00 175.10 174.96 3df4 s MET 20 N 2.41 3.86 0.42 2.72 0.00 -1.01 -1.92 119.30 125.78 3df4 s MET 20 Ca -0.03 -0.37 -0.24 0.00 0.00 0.00 0.00 55.69 55.05 3df4 s MET 20 Cb -0.11 -3.46 -0.08 0.00 0.00 0.00 0.00 34.83 31.18 3df4 s MET 20 CO -0.13 -0.09 1.12 0.00 0.00 0.00 0.00 175.02 175.92 3df4 n ILE 22 N -0.22 0.52 -3.27 0.00 -6.64 0.15 -1.85 119.36 108.05 3df4 n ILE 22 Ca 0.06 -0.54 0.03 0.00 -1.77 0.00 0.00 62.75 60.53 3df4 n ILE 22 Cb 0.48 0.76 -0.04 0.00 -1.44 0.00 0.00 39.64 39.40 3df4 n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 3df4 s LYS 23 N -0.52 0.06 -0.51 6.28 2.47 -1.16 -4.81 119.74 121.55 3df4 s LYS 23 Ca 0.00 0.15 -0.24 0.00 -1.56 0.00 0.00 55.97 54.32 3df4 s LYS 23 Cb 0.00 0.08 0.03 0.00 -1.46 0.00 0.00 37.83 36.49 3df4 s LYS 23 CO 0.00 -0.02 0.90 0.08 0.16 0.00 0.00 175.35 176.47 3df4 s VAL 24 N 1.94 4.47 0.66 4.02 1.01 -1.26 -0.94 120.40 130.30 3df4 s VAL 24 Ca -0.01 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 3df4 s VAL 24 Cb -0.01 -4.46 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 3df4 s VAL 24 CO -0.15 -0.95 1.05 -0.76 0.00 0.00 0.00 175.10 174.28 3df4 s LEU 25 N 3.74 3.17 0.00 3.92 1.43 -1.18 -4.75 118.68 125.01 3df4 s LEU 25 Ca 0.32 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 3df4 s LEU 25 Cb -0.12 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.64 3df4 s LEU 25 CO 0.22 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.25 3df4 n GLY 26 N -2.41 1.30 0.00 -3.19 0.00 -1.26 -4.79 105.19 94.83 3df4 n GLY 26 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3df4 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 27 N -0.06 -0.46 3.84 -0.02 0.00 -1.26 -4.84 105.19 102.39 3df4 n GLY 27 Ca 0.00 -2.26 -0.37 0.00 0.00 0.00 0.00 46.02 43.39 3df4 n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3df4 s SER 28 N -1.39 6.83 0.00 1.61 0.15 -1.26 -4.13 113.70 115.51 3df4 s SER 28 Ca 0.00 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.67 3df4 s SER 28 Cb 0.00 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 3df4 s SER 28 CO 0.00 0.23 0.00 1.41 1.20 0.00 0.00 173.24 176.08 3df4 n HIS 29 N 1.36 0.00 -1.48 3.44 8.25 -1.26 -4.86 115.22 120.67 3df4 n HIS 29 Ca -0.10 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.92 3df4 n HIS 29 Cb 0.52 -1.63 -0.08 0.00 1.12 0.00 0.00 29.99 29.92 3df4 n HIS 29 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3df4 n ARG 30 N -0.58 0.78 0.00 -0.41 0.63 -1.26 -4.87 116.66 110.95 3df4 n ARG 30 Ca 0.00 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 3df4 n ARG 30 Cb 0.24 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.68 3df4 n ARG 30 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3df4 n ARG 31 N 8.48 0.00 -2.72 -0.14 1.74 -1.26 -4.76 116.66 118.00 3df4 n ARG 31 Ca 0.47 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.28 3df4 n ARG 31 Cb 0.26 -0.25 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 3df4 n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3df4 s TYR 32 N 0.00 3.48 -0.22 -1.55 2.02 -1.26 -3.69 117.35 116.12 3df4 s TYR 32 Ca 0.00 0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 57.34 3df4 s TYR 32 Cb 0.00 -2.32 0.11 0.00 -0.40 0.00 0.00 41.96 39.35 3df4 s TYR 32 CO 0.00 -0.32 0.33 0.00 -1.57 0.00 0.00 175.55 173.99 3df4 s ALA 33 N -2.71 -0.82 0.00 3.71 0.00 -1.26 -4.73 121.76 115.94 3df4 s ALA 33 Ca 0.48 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3df4 s ALA 33 Cb -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.53 3df4 s ALA 33 CO 0.43 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.46 3df4 n GLY 34 N 5.35 4.65 4.82 0.00 0.00 -1.26 0.34 105.19 119.09 3df4 n GLY 34 Ca -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3df4 n GLY 34 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df4 n VAL 35 N 0.00 0.00 -2.74 1.61 0.24 -1.26 -2.56 118.33 113.62 3df4 n VAL 35 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 3df4 n VAL 35 Cb 0.00 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.40 3df4 n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3df4 n GLY 36 N 0.00 -0.44 3.51 7.63 0.00 -1.26 -3.23 105.19 111.40 3df4 n GLY 36 Ca 0.00 0.40 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 3df4 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3df4 s ASP 37 N -0.41 3.67 -0.15 1.61 1.01 -1.06 -4.75 116.67 116.59 3df4 s ASP 37 Ca 0.30 -1.11 -0.26 0.00 0.71 0.00 0.00 52.55 52.19 3df4 s ASP 37 Cb 0.13 -0.33 -0.01 0.00 1.01 0.00 0.00 42.92 43.72 3df4 s ASP 37 CO -0.15 -0.08 0.88 -0.63 0.21 0.00 0.00 175.17 175.40 3df4 s ILE 38 N -2.56 4.85 -0.02 0.77 -1.09 -1.26 -2.91 121.20 118.98 3df4 s ILE 38 Ca 0.31 1.74 0.01 0.00 -2.23 0.00 0.00 60.65 60.49 3df4 s ILE 38 Cb -0.01 -4.18 0.01 0.00 -1.58 0.00 0.00 42.46 36.69 3df4 s ILE 38 CO 0.16 0.02 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.21 3df4 s ILE 39 N 2.13 0.46 0.22 2.92 -1.09 0.89 -3.09 121.20 123.64 3df4 s ILE 39 Ca 0.41 -0.15 -0.30 0.00 -2.23 0.00 0.00 60.65 58.38 3df4 s ILE 39 Cb -0.17 -0.45 -0.09 0.00 -1.58 0.00 0.00 42.46 40.17 3df4 s ILE 39 CO 0.13 0.17 1.28 -0.75 -1.23 0.00 0.00 174.94 174.55 3df4 s LYS 40 N 0.47 4.41 0.11 2.79 2.47 -0.11 -1.02 119.74 128.85 3df4 s LYS 40 Ca -0.06 2.04 -0.07 0.00 -1.56 0.00 0.00 55.97 56.33 3df4 s LYS 40 Cb -0.09 -3.18 -0.01 0.00 -1.46 0.00 0.00 37.83 33.08 3df4 s LYS 40 CO -0.00 -0.20 0.17 -1.50 0.16 0.00 0.00 175.35 173.98 3df4 s ILE 41 N -0.16 0.12 -0.13 5.43 2.07 0.63 0.32 121.20 129.48 3df4 s ILE 41 Ca 0.54 -1.42 0.01 0.00 -1.41 0.00 0.00 60.65 58.37 3df4 s ILE 41 Cb -0.36 -1.61 0.02 0.00 0.13 0.00 0.00 42.46 40.64 3df4 s ILE 41 CO 0.40 -0.56 -0.13 -0.89 -1.91 0.00 0.00 174.94 171.84 3df4 s THR 42 N -3.93 1.47 -0.45 4.00 2.01 0.43 -1.27 115.64 117.90 3df4 s THR 42 Ca 0.11 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.24 3df4 s THR 42 Cb 0.05 -1.38 -0.09 0.00 0.01 0.00 0.00 72.50 71.09 3df4 s THR 42 CO -0.06 0.44 2.36 -0.38 -0.69 0.00 0.00 174.62 176.29 3df4 n ILE 43 N 4.63 0.08 -1.14 1.82 2.08 0.32 -2.42 119.36 124.73 3df4 n ILE 43 Ca -0.17 -0.53 -0.13 0.00 0.56 0.00 0.00 62.75 62.48 3df4 n ILE 43 Cb 0.50 -2.28 0.25 0.00 -0.75 0.00 0.00 39.64 37.37 3df4 n ILE 43 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3df4 n LYS 44 N 8.74 3.04 0.00 0.38 4.76 -1.17 -1.54 118.16 132.38 3df4 n LYS 44 Ca 0.39 -3.07 0.00 0.00 -2.87 0.00 0.00 58.31 52.77 3df4 n LYS 44 Cb 0.41 -2.18 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 3df4 n LYS 44 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3df4 n GLU 45 N -0.60 0.00 -1.44 1.97 -0.58 -1.07 -4.72 120.64 114.19 3df4 n GLU 45 Ca 0.48 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 57.37 3df4 n GLU 45 Cb 1.48 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 32.26 3df4 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3df4 n ALA 46 N -1.37 -3.58 -2.56 0.62 0.00 -0.80 -4.44 120.51 108.38 3df4 n ALA 46 Ca 0.00 0.89 -0.22 0.00 0.00 0.00 0.00 53.44 54.12 3df4 n ALA 46 Cb 0.00 -1.56 -0.00 0.00 0.00 0.00 0.00 19.45 17.88 3df4 n ALA 46 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3df4 s ILE 47 N -4.42 4.53 0.13 0.00 2.07 -1.26 -4.71 121.20 117.53 3df4 s ILE 47 Ca 0.00 -0.70 -0.27 0.00 -1.41 0.00 0.00 60.65 58.28 3df4 s ILE 47 Cb 0.00 -3.63 -0.04 0.00 0.13 0.00 0.00 42.46 38.92 3df4 s ILE 47 CO 0.00 -0.35 1.61 1.55 -1.91 0.00 0.00 174.94 175.84 3df4 h PRO 48 N 0.75 -0.43 0.00 3.50 0.13 -2.00 -3.40 132.00 130.55 3df4 h PRO 48 Ca -0.48 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3df4 h PRO 48 Cb 1.24 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3df4 h PRO 48 CO 0.58 -0.29 0.00 0.54 -0.23 0.00 0.00 178.00 178.60 3df4 n ARG 49 N -5.42 0.00 0.00 0.86 1.74 -1.26 -4.99 116.66 107.59 3df4 n ARG 49 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3df4 n ARG 49 Cb 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 3df4 n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3df4 n GLY 50 N 3.46 1.87 0.00 -0.13 0.00 -1.26 -4.54 105.19 104.59 3df4 n GLY 50 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3df4 n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3df4 n LYS 51 N 8.99 0.00 -3.40 1.61 4.81 -1.26 -4.97 118.16 123.94 3df4 n LYS 51 Ca 0.00 -0.09 -0.27 0.00 -0.87 0.00 0.00 58.31 57.08 3df4 n LYS 51 Cb 0.00 -0.17 -0.10 0.00 0.02 0.00 0.00 35.03 34.79 3df4 n LYS 51 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3df4 n VAL 52 N 0.00 -0.80 -0.89 3.15 0.24 -1.26 -5.03 118.33 113.74 3df4 n VAL 52 Ca 0.00 -3.70 -0.32 0.00 -2.04 0.00 0.00 64.34 58.28 3df4 n VAL 52 Cb 0.39 -1.76 0.14 0.00 -1.47 0.00 0.00 33.84 31.14 3df4 n VAL 52 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3df4 n LYS 53 N 2.45 -0.15 -0.54 7.34 0.00 -1.26 -4.49 118.16 121.51 3df4 n LYS 53 Ca 0.27 0.03 -0.25 0.00 -0.00 0.00 0.00 58.31 58.36 3df4 n LYS 53 Cb 0.48 -2.32 0.18 0.00 -0.00 0.00 0.00 35.03 33.37 3df4 n LYS 53 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3df4 n LYS 54 N -3.42 -2.39 -0.41 -1.58 0.00 -1.26 -3.11 118.16 105.99 3df4 n LYS 54 Ca 0.12 -0.70 0.00 0.00 -0.00 0.00 0.00 58.31 57.73 3df4 n LYS 54 Cb 0.51 -1.64 0.00 0.00 -0.00 0.00 0.00 35.03 33.91 3df4 n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3df4 n GLY 55 N 2.17 0.86 3.81 2.58 0.00 -0.59 -4.94 105.19 109.08 3df4 n GLY 55 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3df4 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3df4 s ASP 56 N -2.66 6.63 -0.19 1.61 1.01 -1.18 -4.83 116.67 117.06 3df4 s ASP 56 Ca 0.00 1.83 0.00 0.00 0.71 0.00 0.00 52.55 55.09 3df4 s ASP 56 Cb 0.00 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.42 3df4 s ASP 56 CO 0.00 -0.58 -0.07 -0.69 0.21 0.00 0.00 175.17 174.04 3df4 s VAL 57 N -2.04 1.37 0.24 -1.27 1.01 -1.26 -0.52 120.40 117.92 3df4 s VAL 57 Ca 0.64 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 3df4 s VAL 57 Cb -0.14 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 3df4 s VAL 57 CO 0.17 0.10 0.40 -1.48 0.00 0.00 0.00 175.10 174.29 3df4 s LEU 58 N 1.51 0.51 0.39 3.92 2.34 -0.40 -4.97 118.68 121.97 3df4 s LEU 58 Ca -0.01 -1.04 -0.06 0.00 0.06 0.00 0.00 54.13 53.08 3df4 s LEU 58 Cb -0.16 1.44 -0.05 0.00 -0.56 0.00 0.00 46.19 46.86 3df4 s LEU 58 CO -0.08 -1.07 0.69 -1.59 -1.06 0.00 0.00 176.35 173.24 3df4 s LYS 59 N -4.05 3.65 0.02 1.48 -2.85 -1.26 -0.27 119.74 116.45 3df4 s LYS 59 Ca 0.26 0.19 -0.27 0.00 -1.00 0.00 0.00 55.97 55.15 3df4 s LYS 59 Cb 0.01 -2.49 0.06 0.00 -2.06 0.00 0.00 37.83 33.36 3df4 s LYS 59 CO 0.10 0.01 0.61 0.00 0.10 0.00 0.00 175.35 176.17 3df4 s ALA 60 N -2.38 -1.60 0.03 0.59 0.00 -0.19 -2.35 121.76 115.86 3df4 s ALA 60 Ca 0.47 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.39 3df4 s ALA 60 Cb -0.10 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3df4 s ALA 60 CO 0.35 -0.48 0.13 0.14 0.00 0.00 0.00 175.76 175.90 3df4 s VAL 61 N -2.00 4.95 0.65 0.00 -7.23 -1.09 -0.07 120.40 115.60 3df4 s VAL 61 Ca -0.07 -0.45 -0.09 0.00 -1.81 0.00 0.00 61.98 59.56 3df4 s VAL 61 Cb -0.01 -3.34 0.01 0.00 0.56 0.00 0.00 36.38 33.61 3df4 s VAL 61 CO 0.02 0.24 1.00 -0.69 -0.31 0.00 0.00 175.10 175.36 3df4 s VAL 62 N -1.34 3.50 0.00 1.32 1.01 -1.15 0.74 120.40 124.50 3df4 s VAL 62 Ca 0.28 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3df4 s VAL 62 Cb -0.12 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3df4 s VAL 62 CO 0.20 -0.51 0.00 0.52 0.00 0.00 0.00 175.10 175.30 3df4 n VAL 63 N -2.80 0.00 -3.49 2.92 0.31 -0.45 -4.08 118.33 110.73 3df4 n VAL 63 Ca 0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.18 3df4 n VAL 63 Cb 0.58 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.38 3df4 n VAL 63 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3df4 s ARG 64 N -0.60 0.20 -0.19 5.55 3.00 -1.18 -4.50 118.95 121.23 3df4 s ARG 64 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 55.73 55.57 3df4 s ARG 64 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 34.95 33.75 3df4 s ARG 64 CO 0.00 -0.80 0.24 0.95 0.00 0.00 0.00 175.30 175.69 3df4 s THR 65 N 2.27 5.33 0.50 0.02 -4.23 -1.26 -2.00 115.64 116.26 3df4 s THR 65 Ca 0.07 0.41 0.28 0.00 -1.18 0.00 0.00 61.69 61.28 3df4 s THR 65 Cb -0.15 -3.58 0.47 0.00 1.34 0.00 0.00 72.50 70.57 3df4 s THR 65 CO -0.21 0.37 1.84 0.11 -0.54 0.00 0.00 174.62 176.20 3df4 h LYS 66 N 6.95 0.13 -0.12 3.99 1.79 -1.83 0.19 116.57 127.68 3df4 h LYS 66 Ca -0.40 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.02 3df4 h LYS 66 Cb 1.16 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 3df4 h LYS 66 CO 0.73 0.08 -0.10 -0.22 -1.08 0.00 0.00 179.45 178.86 3df4 h LYS 67 N 0.13 0.28 0.00 3.15 3.11 -1.93 -3.42 116.57 117.90 3df4 h LYS 67 Ca 0.49 -0.14 0.00 0.00 -2.81 0.00 0.00 60.65 58.19 3df4 h LYS 67 Cb 1.72 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.95 3df4 h LYS 67 CO -0.08 0.67 0.00 0.41 -2.81 0.00 0.00 179.45 177.64 3df4 n GLY 68 N 0.16 0.82 2.79 5.01 0.00 0.68 -4.75 105.19 109.90 3df4 n GLY 68 Ca -0.06 -2.18 -0.19 0.00 0.00 0.00 0.00 46.02 43.59 3df4 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df4 s VAL 69 N -1.17 0.19 0.09 1.61 1.01 0.49 -4.89 120.40 117.73 3df4 s VAL 69 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 3df4 s VAL 69 Cb 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 3df4 s VAL 69 CO 0.00 0.18 0.27 0.00 0.00 0.00 0.00 175.10 175.55 3df4 s ARG 70 N 1.38 3.51 0.02 2.72 1.70 -1.26 -0.58 118.95 126.43 3df4 s ARG 70 Ca -0.05 -0.31 0.00 0.00 -0.47 0.00 0.00 55.73 54.90 3df4 s ARG 70 Cb -0.13 -2.97 -0.04 0.00 -0.57 0.00 0.00 34.95 31.24 3df4 s ARG 70 CO -0.02 0.55 0.10 1.03 -1.08 0.00 0.00 175.30 175.88 3df4 s ARG 71 N -2.59 3.08 0.00 3.89 1.81 0.14 -4.96 118.95 120.33 3df4 s ARG 71 Ca 0.37 -0.52 0.00 0.00 -1.72 0.00 0.00 55.73 53.86 3df4 s ARG 71 Cb -0.13 -2.86 0.00 0.00 -0.45 0.00 0.00 34.95 31.51 3df4 s ARG 71 CO 0.27 0.63 0.00 -2.30 -0.68 0.00 0.00 175.30 173.21 3df4 n PRO 72 N 0.92 0.00 0.00 3.54 -0.02 -1.26 0.12 135.00 138.31 3df4 n PRO 72 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 3df4 n PRO 72 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 3df4 n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3df4 n ASP 73 N -2.40 0.00 0.00 2.55 5.75 -1.26 -4.72 116.55 116.47 3df4 n ASP 73 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 3df4 n ASP 73 Cb 0.00 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 3df4 n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3df4 n GLY 74 N -1.21 2.49 3.56 6.12 0.00 0.34 -5.06 105.19 111.43 3df4 n GLY 74 Ca 0.00 -0.42 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 3df4 n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3df4 n SER 75 N 0.27 0.87 -4.34 1.61 3.41 -1.22 -4.50 113.62 109.72 3df4 n SER 75 Ca 0.00 1.17 -0.25 0.00 -0.26 0.00 0.00 58.87 59.52 3df4 n SER 75 Cb 0.00 -1.23 -0.12 0.00 -0.26 0.00 0.00 64.21 62.60 3df4 n SER 75 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3df4 s VAL 76 N -0.98 1.95 -0.15 -3.33 1.01 -1.26 0.28 120.40 117.93 3df4 s VAL 76 Ca 0.61 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.88 3df4 s VAL 76 Cb -0.75 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 33.87 3df4 s VAL 76 CO 0.59 -0.06 -0.12 -0.63 0.00 0.00 0.00 175.10 174.88 3df4 s ILE 77 N -1.30 1.50 -0.01 2.22 1.01 0.25 -4.94 121.20 119.93 3df4 s ILE 77 Ca 0.11 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3df4 s ILE 77 Cb -0.09 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.93 3df4 s ILE 77 CO 0.06 0.39 -0.05 0.00 0.00 0.00 0.00 174.94 175.34 3df4 s ARG 78 N 1.51 0.51 -0.17 2.79 1.70 -1.26 -0.38 118.95 123.65 3df4 s ARG 78 Ca 0.04 -0.17 -0.03 0.00 -0.47 0.00 0.00 55.73 55.10 3df4 s ARG 78 Cb -0.13 -0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 33.72 3df4 s ARG 78 CO -0.10 0.08 -0.06 -0.06 -1.08 0.00 0.00 175.30 174.07 3df4 s PHE 79 N 0.09 2.95 -1.12 5.89 0.40 -1.25 -4.98 117.98 119.96 3df4 s PHE 79 Ca -0.01 -0.55 -0.23 0.00 -0.60 0.00 0.00 56.93 55.54 3df4 s PHE 79 Cb -0.05 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.46 3df4 s PHE 79 CO -0.00 -0.22 1.89 0.16 0.70 0.00 0.00 175.22 177.75 3df4 s ASP 80 N 0.65 5.35 0.00 1.36 -4.77 -1.26 -3.71 116.67 114.29 3df4 s ASP 80 Ca -0.04 -1.49 0.00 0.00 -3.30 0.00 0.00 52.55 47.72 3df4 s ASP 80 Cb -0.15 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 3df4 s ASP 80 CO 0.02 -2.69 0.00 0.61 0.70 0.00 0.00 175.17 173.82 3df4 n GLY 81 N 6.09 2.92 3.52 2.12 0.00 -1.26 -5.05 105.19 113.52 3df4 n GLY 81 Ca 0.43 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 3df4 n GLY 81 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3df4 s ASN 82 N 0.00 1.24 -0.26 1.61 0.01 -1.24 -4.65 114.94 111.65 3df4 s ASN 82 Ca 0.00 1.60 -0.30 0.00 -0.71 0.00 0.00 52.86 53.45 3df4 s ASN 82 Cb 0.00 -2.33 0.18 0.00 0.41 0.00 0.00 41.25 39.51 3df4 s ASN 82 CO 0.00 -4.05 1.30 0.00 -1.51 0.00 0.00 177.10 172.84 3df4 s ALA 83 N -2.50 -2.10 0.34 0.60 0.00 -0.85 -3.96 121.76 113.30 3df4 s ALA 83 Ca 0.68 1.83 0.00 0.00 0.00 0.00 0.00 51.96 54.48 3df4 s ALA 83 Cb -0.25 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 3df4 s ALA 83 CO 0.64 -0.29 0.41 0.00 0.00 0.00 0.00 175.76 176.51 3df4 s VAL 85 N -3.20 0.47 0.35 0.00 1.01 0.23 0.33 120.40 119.59 3df4 s VAL 85 Ca 0.34 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 3df4 s VAL 85 Cb 0.01 -1.34 -0.11 0.00 0.00 0.00 0.00 36.38 34.94 3df4 s VAL 85 CO 0.22 -0.66 1.53 -1.48 0.00 0.00 0.00 175.10 174.71 3df4 s LEU 86 N 1.83 4.33 0.15 3.92 2.34 -1.26 -2.68 118.68 127.30 3df4 s LEU 86 Ca 0.09 3.02 0.01 0.00 0.06 0.00 0.00 54.13 57.31 3df4 s LEU 86 Cb -0.17 -3.66 -0.04 0.00 -0.56 0.00 0.00 46.19 41.76 3df4 s LEU 86 CO -0.28 -0.89 -0.00 -1.48 -1.06 0.00 0.00 176.35 172.63 3df4 s LEU 87 N -1.52 2.15 0.21 1.48 2.34 -0.99 -3.74 118.68 118.60 3df4 s LEU 87 Ca 0.57 -1.14 -0.25 0.00 0.06 0.00 0.00 54.13 53.36 3df4 s LEU 87 Cb -0.47 0.00 -0.16 0.00 -0.56 0.00 0.00 46.19 45.01 3df4 s LEU 87 CO 0.58 -0.58 0.42 -3.20 -1.06 0.00 0.00 176.35 172.52 3df4 n ASN 88 N -0.17 -1.37 0.00 1.48 4.05 0.31 -4.41 115.26 115.15 3df4 n ASN 88 Ca -0.08 1.00 0.00 0.00 0.45 0.00 0.00 54.58 55.96 3df4 n ASN 88 Cb 0.63 -0.87 0.00 0.00 1.23 0.00 0.00 39.78 40.77 3df4 n ASN 88 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 3df4 n ASN 89 N 1.90 0.00 0.00 1.20 4.05 -1.26 -3.81 115.26 117.33 3df4 n ASN 89 Ca 0.16 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.19 3df4 n ASN 89 Cb 0.25 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.26 3df4 n ASN 89 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 3df4 n ASN 90 N 0.00 0.00 -2.62 1.20 6.94 -1.26 -3.41 115.26 116.11 3df4 n ASN 90 Ca 0.00 0.79 -0.17 0.00 -0.02 0.00 0.00 54.58 55.18 3df4 n ASN 90 Cb 0.00 -0.29 -0.08 0.00 -2.36 0.00 0.00 39.78 37.06 3df4 n ASN 90 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3df4 n SER 91 N -1.84 4.81 0.00 0.53 7.64 -1.26 -4.95 113.62 118.55 3df4 n SER 91 Ca 0.00 -2.29 0.00 0.00 1.01 0.00 0.00 58.87 57.59 3df4 n SER 91 Cb 0.00 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 3df4 n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3df4 n GLU 92 N 3.24 0.00 -1.62 1.43 -0.58 -1.22 -4.86 120.64 117.03 3df4 n GLU 92 Ca 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 3df4 n GLU 92 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 3df4 n GLU 92 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3df4 n GLN 93 N 1.85 -4.21 -0.53 3.49 1.13 -1.26 -3.37 117.38 114.48 3df4 n GLN 93 Ca 0.00 3.18 -0.21 0.00 -1.94 0.00 0.00 57.00 58.03 3df4 n GLN 93 Cb 0.00 -3.76 0.16 0.00 0.11 0.00 0.00 30.24 26.75 3df4 n GLN 93 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3df4 n PRO 94 N -1.46 -2.36 0.00 -1.09 -0.04 -1.26 -0.53 135.00 128.26 3df4 n PRO 94 Ca 0.00 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 3df4 n PRO 94 Cb 0.15 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 3df4 n PRO 94 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3df4 n ILE 95 N -4.50 0.00 -3.80 0.52 0.13 -1.25 -3.85 119.36 106.61 3df4 n ILE 95 Ca 0.06 0.00 -0.36 0.00 -1.10 0.00 0.00 62.75 61.35 3df4 n ILE 95 Cb 0.41 1.25 -0.10 0.00 -0.84 0.00 0.00 39.64 40.36 3df4 n ILE 95 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 3df4 s GLY 96 N 0.00 1.94 0.42 4.50 0.00 -1.26 -4.97 107.32 107.95 3df4 s GLY 96 Ca 0.00 -0.84 0.14 0.00 0.00 0.00 0.00 44.72 44.02 3df4 s GLY 96 CO 0.00 0.26 1.94 -0.91 0.00 0.00 0.00 173.10 174.39 3df4 h THR 97 N 4.98 0.85 -3.23 0.90 1.35 -1.98 -3.43 112.91 112.35 3df4 h THR 97 Ca -0.38 -0.15 -0.37 0.00 -0.55 0.00 0.00 66.41 64.96 3df4 h THR 97 Cb 1.17 0.37 -0.14 0.00 -1.73 0.00 0.00 68.15 67.81 3df4 h THR 97 CO 0.68 0.08 -0.71 -0.13 -0.25 0.00 0.00 175.52 175.18 3df4 s ARG 98 N -5.43 1.16 -0.00 4.72 1.81 -1.26 -5.10 118.95 114.85 3df4 s ARG 98 Ca -0.08 -1.51 0.05 0.00 -1.72 0.00 0.00 55.73 52.47 3df4 s ARG 98 Cb 0.20 -0.77 -0.01 0.00 -0.45 0.00 0.00 34.95 33.92 3df4 s ARG 98 CO 0.76 0.09 -0.17 0.42 -0.68 0.00 0.00 175.30 175.73 3df4 s ILE 99 N -3.23 1.33 0.44 1.52 1.09 -1.26 -2.96 121.20 118.14 3df4 s ILE 99 Ca 0.19 -0.77 0.07 0.00 -1.10 0.00 0.00 60.65 59.04 3df4 s ILE 99 Cb 0.02 -1.12 -0.02 0.00 -1.06 0.00 0.00 42.46 40.28 3df4 s ILE 99 CO 0.03 0.33 0.32 -0.36 -0.10 0.00 0.00 174.94 175.17 3df4 s PHE 100 N -0.46 2.45 0.57 3.97 0.40 0.42 -4.77 117.98 120.56 3df4 s PHE 100 Ca 0.06 -0.60 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 3df4 s PHE 100 Cb -0.07 -2.05 0.00 0.00 0.51 0.00 0.00 43.02 41.41 3df4 s PHE 100 CO -0.00 -0.10 0.00 0.41 0.70 0.00 0.00 175.22 176.22 3df4 n GLY 101 N -1.50 -3.02 3.69 4.36 0.00 -1.26 -4.72 105.19 102.74 3df4 n GLY 101 Ca 0.01 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 3df4 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3df4 s PRO 102 N -4.32 1.13 0.00 1.61 0.04 -1.26 -4.59 135.00 127.60 3df4 s PRO 102 Ca 0.00 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.08 3df4 s PRO 102 Cb 0.00 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.76 3df4 s PRO 102 CO 0.00 -2.39 0.00 1.33 0.04 0.00 0.00 177.00 175.98 3df4 n VAL 103 N -4.02 0.00 -4.04 -0.36 0.24 -1.26 -4.86 118.33 104.04 3df4 n VAL 103 Ca 0.08 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.19 3df4 n VAL 103 Cb 0.54 -0.23 -0.16 0.00 -1.47 0.00 0.00 33.84 32.52 3df4 n VAL 103 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3df4 s THR 104 N 0.43 0.36 -0.57 3.34 -4.23 -0.04 -4.34 115.64 110.59 3df4 s THR 104 Ca 0.00 -0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.56 3df4 s THR 104 Cb 0.00 -0.42 0.07 0.00 1.34 0.00 0.00 72.50 73.48 3df4 s THR 104 CO 0.00 0.19 1.13 -2.11 -0.54 0.00 0.00 174.62 173.29 3df4 n ARG 105 N 4.11 0.04 0.22 3.99 0.00 -1.02 -0.14 116.66 123.87 3df4 n ARG 105 Ca -0.25 0.49 0.10 0.00 -0.00 0.00 0.00 57.85 58.18 3df4 n ARG 105 Cb 0.51 -1.74 0.48 0.00 -0.00 0.00 0.00 32.46 31.71 3df4 n ARG 105 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3df4 h GLU 106 N 0.00 0.00 -0.00 2.89 3.07 -1.95 -2.31 114.58 116.28 3df4 h GLU 106 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3df4 h GLU 106 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3df4 h GLU 106 CO 0.00 0.22 -0.00 1.28 -1.40 0.00 0.00 179.01 179.11 3df4 n LEU 107 N -3.42 0.01 -0.41 1.33 4.77 0.81 -4.08 117.00 116.01 3df4 n LEU 107 Ca -0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3df4 n LEU 107 Cb 0.41 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3df4 n LEU 107 CO 0.33 0.00 0.06 -2.11 -1.33 0.00 0.00 177.39 174.35 3df4 n ARG 108 N -1.29 0.21 -2.11 3.23 1.85 -0.87 -4.22 116.66 113.45 3df4 n ARG 108 Ca 0.14 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.58 3df4 n ARG 108 Cb 0.25 -1.08 -0.02 0.00 -1.05 0.00 0.00 32.46 30.56 3df4 n ARG 108 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3df4 s SER 109 N -0.98 6.67 0.00 2.89 1.04 -1.26 -4.81 113.70 117.26 3df4 s SER 109 Ca 0.00 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.09 3df4 s SER 109 Cb 0.00 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.47 3df4 s SER 109 CO 0.00 -0.60 0.06 -0.62 0.98 0.00 0.00 173.24 173.06 3df4 n GLU 110 N 0.63 0.07 0.00 4.02 4.71 -1.26 -0.39 120.64 128.42 3df4 n GLU 110 Ca 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.17 3df4 n GLU 110 Cb 0.42 -1.01 -0.01 0.00 -1.01 0.00 0.00 31.44 29.83 3df4 n GLU 110 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3df4 n LYS 111 N -0.18 4.13 -0.00 3.49 0.00 -1.26 -4.65 118.16 119.69 3df4 n LYS 111 Ca 0.00 -0.20 0.01 0.00 -0.00 0.00 0.00 58.31 58.12 3df4 n LYS 111 Cb 0.01 -0.76 -0.02 0.00 -0.00 0.00 0.00 35.03 34.26 3df4 n LYS 111 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3df4 n PHE 112 N -0.71 0.00 0.00 5.58 0.99 0.48 -4.86 117.46 118.94 3df4 n PHE 112 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 3df4 n PHE 112 Cb 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3df4 n PHE 112 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 3df4 n MET 113 N -1.60 0.00 -0.34 -1.08 2.81 -0.97 0.44 117.12 116.39 3df4 n MET 113 Ca -0.01 0.00 0.30 0.00 -1.81 0.00 0.00 57.70 56.18 3df4 n MET 113 Cb 0.08 0.00 0.51 0.00 -0.71 0.00 0.00 33.22 33.10 3df4 n MET 113 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3df4 n LYS 114 N -1.92 -0.03 -0.08 0.03 3.00 -1.26 -1.20 118.16 116.69 3df4 n LYS 114 Ca 0.00 1.00 -0.16 0.00 -0.00 0.00 0.00 58.31 59.15 3df4 n LYS 114 Cb 0.00 -1.92 -0.11 0.00 0.00 0.00 0.00 35.03 33.00 3df4 n LYS 114 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 3df4 h ILE 115 N 0.00 1.23 0.00 3.15 2.10 -0.41 -3.33 117.51 120.25 3df4 h ILE 115 Ca 0.68 -2.13 0.00 0.00 1.08 0.00 0.00 64.86 64.49 3df4 h ILE 115 Cb 2.09 2.52 0.00 0.00 -1.09 0.00 0.00 36.82 40.34 3df4 h ILE 115 CO -0.42 0.42 0.00 2.30 -1.08 0.00 0.00 178.15 179.36 3df4 n ILE 116 N -4.55 0.26 -1.28 2.19 -6.64 -0.34 -2.63 119.36 106.38 3df4 n ILE 116 Ca -0.18 0.07 -0.32 0.00 -1.77 0.00 0.00 62.75 60.54 3df4 n ILE 116 Cb 0.52 -1.01 0.09 0.00 -1.44 0.00 0.00 39.64 37.80 3df4 n ILE 116 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 3df4 n SER 117 N -1.07 7.11 -4.06 7.28 3.41 -0.82 -4.93 113.62 120.54 3df4 n SER 117 Ca 0.02 -3.72 -0.21 0.00 -0.26 0.00 0.00 58.87 54.71 3df4 n SER 117 Cb 0.01 -0.96 -0.15 0.00 -0.26 0.00 0.00 64.21 62.85 3df4 n SER 117 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3df4 s LEU 118 N -3.63 1.98 0.00 1.04 1.02 -1.08 -5.05 118.68 112.96 3df4 s LEU 118 Ca 0.62 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.56 3df4 s LEU 118 Cb 0.49 -0.60 0.00 0.00 0.02 0.00 0.00 46.19 46.10 3df4 s LEU 118 CO 0.01 0.13 0.00 0.00 0.02 0.00 0.00 176.35 176.51 3df4 n ALA 119 N 2.88 0.00 0.00 4.21 0.00 -1.26 -4.45 120.51 121.90 3df4 n ALA 119 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3df4 n ALA 119 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3df4 n ALA 119 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3df4 n PRO 120 N -0.65 0.00 0.00 0.00 -0.02 -1.26 -4.96 135.00 128.10 3df4 n PRO 120 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3df4 n PRO 120 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3df4 n PRO 120 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3df4 n GLU 121 N 0.00 0.00 0.00 -0.52 1.02 -1.26 -4.93 120.64 114.95 3df4 n GLU 121 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3df4 n GLU 121 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3df4 n GLU 121 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59