#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 s ALA 2 N 0.00 3.11 -0.36 0.00 0.00 -1.26 -4.97 121.76 118.29 3df2 s ALA 2 Ca 0.00 0.67 0.22 0.00 0.00 0.00 0.00 51.96 52.85 3df2 s ALA 2 Cb 0.00 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 3df2 s ALA 2 CO 0.00 -0.14 0.88 1.63 0.00 0.00 0.00 175.76 178.14 3df2 n LYS 3 N 0.04 0.47 -3.67 0.00 5.02 -1.26 -4.74 118.16 114.01 3df2 n LYS 3 Ca 0.04 -0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.02 3df2 n LYS 3 Cb 0.50 -1.64 -0.14 0.00 -0.02 0.00 0.00 35.03 33.72 3df2 n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3df2 s ILE 4 N -3.32 0.74 0.00 -0.18 -1.09 -1.26 -4.92 121.20 111.16 3df2 s ILE 4 Ca -0.00 -1.50 0.00 0.00 -2.23 0.00 0.00 60.65 56.91 3df2 s ILE 4 Cb 0.13 -1.56 0.00 0.00 -1.58 0.00 0.00 42.46 39.45 3df2 s ILE 4 CO 0.83 -0.75 0.00 0.54 -1.23 0.00 0.00 174.94 174.33 3df2 n ARG 5 N 4.64 -1.01 0.00 2.79 5.12 -1.26 -4.90 116.66 122.04 3df2 n ARG 5 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3df2 n ARG 5 Cb 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.70 3df2 n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3df2 n ARG 6 N -1.44 0.00 -2.72 5.56 3.00 -1.26 -4.42 116.66 115.38 3df2 n ARG 6 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 3df2 n ARG 6 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 32.46 32.20 3df2 n ARG 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3df2 s ASP 7 N -2.38 6.32 0.11 6.15 1.11 -1.24 -4.28 116.67 122.47 3df2 s ASP 7 Ca 0.00 -0.31 0.08 0.00 0.18 0.00 0.00 52.55 52.50 3df2 s ASP 7 Cb 0.00 -2.49 -0.04 0.00 1.07 0.00 0.00 42.92 41.47 3df2 s ASP 7 CO 0.00 -1.42 -0.19 -1.81 1.18 0.00 0.00 175.17 172.94 3df2 s ASP 8 N 3.11 2.36 -1.32 0.27 -0.00 -1.26 -4.84 116.67 114.99 3df2 s ASP 8 Ca 0.34 -0.72 -0.09 0.00 -0.00 0.00 0.00 52.55 52.09 3df2 s ASP 8 Cb -0.11 -0.12 0.13 0.00 -0.00 0.00 0.00 42.92 42.83 3df2 s ASP 8 CO 0.19 -0.00 2.09 1.21 -0.00 0.00 0.00 175.17 178.67 3df2 n GLU 9 N 0.93 3.86 -2.42 8.23 4.07 -1.26 -1.78 120.64 132.26 3df2 n GLU 9 Ca -0.18 -3.39 -0.37 0.00 -0.06 0.00 0.00 57.16 53.16 3df2 n GLU 9 Cb 0.55 -2.86 -0.03 0.00 -0.06 0.00 0.00 31.44 29.04 3df2 n GLU 9 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3df2 s VAL 10 N 0.19 3.46 -0.14 6.31 -7.23 -1.07 0.46 120.40 122.38 3df2 s VAL 10 Ca 0.45 1.10 0.06 0.00 -1.81 0.00 0.00 61.98 61.79 3df2 s VAL 10 Cb 0.13 -3.56 -0.23 0.00 0.56 0.00 0.00 36.38 33.28 3df2 s VAL 10 CO -0.03 -0.02 0.28 0.00 -0.31 0.00 0.00 175.10 175.02 3df2 n ILE 11 N -0.30 1.59 -0.24 -0.62 0.00 0.65 -1.68 119.36 118.76 3df2 n ILE 11 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 62.75 62.08 3df2 n ILE 11 Cb 0.49 -1.18 0.00 0.00 0.00 0.00 0.00 39.64 38.95 3df2 n ILE 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3df2 n VAL 12 N -3.14 -1.63 -3.31 9.51 0.31 -1.26 -0.36 118.33 118.45 3df2 n VAL 12 Ca -0.30 0.35 -0.11 0.00 -0.01 0.00 0.00 64.34 64.27 3df2 n VAL 12 Cb 1.06 -0.67 -0.06 0.00 -0.91 0.00 0.00 33.84 33.26 3df2 n VAL 12 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 3df2 s LEU 13 N -1.97 -0.59 0.00 7.52 0.05 0.13 -3.89 118.68 119.93 3df2 s LEU 13 Ca 0.00 -1.06 0.00 0.00 0.05 0.00 0.00 54.13 53.12 3df2 s LEU 13 Cb 0.00 1.03 0.00 0.00 -2.05 0.00 0.00 46.19 45.17 3df2 s LEU 13 CO 0.00 -0.27 0.00 1.07 -0.55 0.00 0.00 176.35 176.60 3df2 n THR 14 N 4.61 0.00 -0.26 5.48 5.66 -1.26 -4.79 114.28 123.71 3df2 n THR 14 Ca 0.08 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.90 3df2 n THR 14 Cb 0.49 0.00 0.17 0.00 -1.55 0.00 0.00 70.33 69.44 3df2 n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3df2 n GLY 15 N 0.00 -3.65 6.46 1.09 0.00 -1.26 -3.61 105.19 104.22 3df2 n GLY 15 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3df2 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df2 n LYS 16 N -4.16 0.00 -3.02 1.61 4.76 -1.26 -3.45 118.16 112.64 3df2 n LYS 16 Ca 0.08 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.09 3df2 n LYS 16 Cb 0.36 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.51 3df2 n LYS 16 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3df2 s ASP 17 N -3.97 6.19 0.00 4.39 -0.00 -1.26 -4.96 116.67 117.05 3df2 s ASP 17 Ca 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 52.55 51.39 3df2 s ASP 17 Cb 0.00 -2.35 0.00 0.00 -0.00 0.00 0.00 42.92 40.57 3df2 s ASP 17 CO 0.00 -1.20 0.00 1.17 -0.00 0.00 0.00 175.17 175.14 3df2 n LYS 18 N 6.83 0.00 -1.88 8.23 0.00 -1.22 -4.39 118.16 125.74 3df2 n LYS 18 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.02 3df2 n LYS 18 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.41 3df2 n LYS 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3df2 s GLY 19 N 0.00 -0.23 0.00 3.14 0.00 -1.25 -3.88 107.32 105.10 3df2 s GLY 19 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.32 3df2 s GLY 19 CO 0.00 3.78 0.00 0.28 0.00 0.00 0.00 173.10 177.16 3df2 n LYS 20 N 8.70 2.37 0.00 2.90 4.01 0.52 -5.05 118.16 131.61 3df2 n LYS 20 Ca 0.43 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 3df2 n LYS 20 Cb 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.98 3df2 n LYS 20 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3df2 n ARG 21 N 0.00 0.00 0.00 1.97 1.74 -1.15 -4.25 116.66 114.96 3df2 n ARG 21 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3df2 n ARG 21 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3df2 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3df2 n GLY 22 N -0.17 1.01 3.62 -0.13 0.00 -0.67 -4.99 105.19 103.86 3df2 n GLY 22 Ca 0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 3df2 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df2 s LYS 23 N -2.00 3.92 -0.63 1.61 3.01 -1.25 -2.59 119.74 121.81 3df2 s LYS 23 Ca 0.00 0.77 -0.26 0.00 -1.01 0.00 0.00 55.97 55.47 3df2 s LYS 23 Cb 0.00 -3.79 -0.10 0.00 -1.01 0.00 0.00 37.83 32.93 3df2 s LYS 23 CO 0.00 -0.97 2.42 0.28 0.51 0.00 0.00 175.35 177.59 3df2 n VAL 24 N 6.03 -0.05 -0.26 3.17 0.31 -0.74 0.93 118.33 127.73 3df2 n VAL 24 Ca 0.09 -0.67 0.03 0.00 -0.01 0.00 0.00 64.34 63.79 3df2 n VAL 24 Cb 0.48 -2.44 0.12 0.00 -0.91 0.00 0.00 33.84 31.08 3df2 n VAL 24 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3df2 h LYS 25 N 16.57 0.04 -1.14 5.55 1.57 0.11 -3.29 116.57 135.99 3df2 h LYS 25 Ca -0.13 -0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.81 3df2 h LYS 25 Cb 1.15 -0.01 -0.27 0.00 0.08 0.00 0.00 32.23 33.18 3df2 h LYS 25 CO 1.09 0.03 0.41 0.54 -0.57 0.00 0.00 179.45 180.95 3df2 s ASN 26 N -5.21 -0.40 0.16 0.86 6.03 -1.00 -4.73 114.94 110.64 3df2 s ASN 26 Ca -0.14 0.61 -0.30 0.00 -1.03 0.00 0.00 52.86 51.99 3df2 s ASN 26 Cb 0.22 1.30 -0.07 0.00 -3.03 0.00 0.00 41.25 39.67 3df2 s ASN 26 CO 0.75 -0.09 1.18 0.54 -2.03 0.00 0.00 177.10 177.45 3df2 s VAL 27 N 1.71 3.73 -0.11 3.54 0.11 -1.26 -1.94 120.40 126.18 3df2 s VAL 27 Ca -0.06 1.40 -0.12 0.00 -2.93 0.00 0.00 61.98 60.28 3df2 s VAL 27 Cb -0.04 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 30.87 3df2 s VAL 27 CO -0.15 0.20 0.26 -0.76 -3.33 0.00 0.00 175.10 171.33 3df2 s LEU 28 N 0.04 4.35 0.65 2.54 1.43 0.18 -4.94 118.68 122.93 3df2 s LEU 28 Ca 0.54 0.60 0.31 0.00 -1.03 0.00 0.00 54.13 54.55 3df2 s LEU 28 Cb -0.31 -2.32 1.70 0.00 0.03 0.00 0.00 46.19 45.29 3df2 s LEU 28 CO 0.35 0.26 1.98 0.28 0.23 0.00 0.00 176.35 179.45 3df2 h SER 29 N 5.62 0.00 0.05 2.29 0.02 -1.96 0.24 113.55 119.81 3df2 h SER 29 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3df2 h SER 29 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3df2 h SER 29 CO 0.66 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 175.15 3df2 n SER 30 N -3.06 0.00 0.00 3.07 7.64 -1.26 -4.78 113.62 115.23 3df2 n SER 30 Ca -0.01 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.34 3df2 n SER 30 Cb 0.37 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 3df2 n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3df2 n GLY 31 N -1.32 2.12 3.94 0.23 0.00 0.84 -5.06 105.19 105.93 3df2 n GLY 31 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3df2 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df2 s LYS 32 N 0.00 2.48 0.08 1.61 3.01 -1.22 -2.32 119.74 123.39 3df2 s LYS 32 Ca 0.00 -0.36 0.03 0.00 -1.01 0.00 0.00 55.97 54.63 3df2 s LYS 32 Cb 0.00 -2.30 -0.03 0.00 -1.01 0.00 0.00 37.83 34.49 3df2 s LYS 32 CO 0.00 -0.94 -0.09 0.14 0.51 0.00 0.00 175.35 174.97 3df2 s VAL 33 N -3.03 0.80 -0.33 3.17 -7.23 0.81 0.48 120.40 115.07 3df2 s VAL 33 Ca 0.57 -1.54 -0.07 0.00 -1.81 0.00 0.00 61.98 59.14 3df2 s VAL 33 Cb -0.11 -1.22 0.03 0.00 0.56 0.00 0.00 36.38 35.65 3df2 s VAL 33 CO 0.43 -0.56 0.10 -0.63 -0.31 0.00 0.00 175.10 174.13 3df2 s ILE 34 N -2.35 3.85 -0.09 -0.62 1.01 -0.82 -1.16 121.20 121.03 3df2 s ILE 34 Ca 0.02 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.49 3df2 s ILE 34 Cb -0.03 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 3df2 s ILE 34 CO -0.01 -0.12 0.44 -0.69 0.00 0.00 0.00 174.94 174.56 3df2 s VAL 35 N 1.43 5.15 -0.35 2.92 1.01 -1.26 0.15 120.40 129.44 3df2 s VAL 35 Ca -0.01 0.88 -0.32 0.00 0.00 0.00 0.00 61.98 62.53 3df2 s VAL 35 Cb -0.19 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 3df2 s VAL 35 CO 0.03 0.41 2.25 1.21 0.00 0.00 0.00 175.10 178.99 3df2 n GLU 36 N 3.13 1.27 -2.13 2.72 2.13 0.26 -3.77 120.64 124.26 3df2 n GLU 36 Ca -0.10 0.32 -0.02 0.00 0.66 0.00 0.00 57.16 58.02 3df2 n GLU 36 Cb 0.52 -2.74 -0.02 0.00 0.27 0.00 0.00 31.44 29.47 3df2 n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3df2 n GLY 37 N 6.28 -4.10 0.00 8.31 0.00 -1.26 -4.29 105.19 110.13 3df2 n GLY 37 Ca 0.39 0.66 0.00 0.00 0.00 0.00 0.00 46.02 47.07 3df2 n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3df2 n ILE 38 N 0.80 0.00 -1.49 -0.61 0.13 -1.25 -4.81 119.36 112.12 3df2 n ILE 38 Ca -0.17 0.00 -0.40 0.00 -1.10 0.00 0.00 62.75 61.08 3df2 n ILE 38 Cb 0.27 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 39.05 3df2 n ILE 38 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 3df2 n ASN 39 N 0.00 6.92 -4.81 9.51 2.85 -1.26 -4.94 115.26 123.52 3df2 n ASN 39 Ca 0.00 -2.69 -0.30 0.00 -0.11 0.00 0.00 54.58 51.49 3df2 n ASN 39 Cb 0.00 -1.59 0.10 0.00 1.24 0.00 0.00 39.78 39.53 3df2 n ASN 39 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3df2 s LEU 40 N 0.86 2.44 0.00 1.20 1.02 -1.26 0.70 118.68 123.63 3df2 s LEU 40 Ca 0.61 1.15 0.00 0.00 0.02 0.00 0.00 54.13 55.91 3df2 s LEU 40 Cb 0.16 -3.69 0.00 0.00 0.02 0.00 0.00 46.19 42.69 3df2 s LEU 40 CO -0.07 -2.09 0.00 1.33 0.02 0.00 0.00 176.35 175.54 3df2 n VAL 41 N -3.49 0.00 -2.75 -1.59 0.24 0.32 -4.82 118.33 106.23 3df2 n VAL 41 Ca 0.07 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.26 3df2 n VAL 41 Cb 0.58 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.97 3df2 n VAL 41 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3df2 n LYS 42 N 0.00 1.11 -1.70 7.34 3.00 -1.26 -3.74 118.16 122.91 3df2 n LYS 42 Ca 0.00 -3.27 -0.55 0.00 -0.00 0.00 0.00 58.31 54.49 3df2 n LYS 42 Cb 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 35.03 33.65 3df2 n LYS 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3df2 n LYS 43 N -0.00 1.47 -1.36 1.64 0.00 -1.23 -4.59 118.16 114.08 3df2 n LYS 43 Ca 0.12 0.54 -0.37 0.00 0.00 0.00 0.00 58.31 58.59 3df2 n LYS 43 Cb 0.79 -2.28 -0.04 0.00 0.00 0.00 0.00 35.03 33.51 3df2 n LYS 43 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3df2 n HIS 44 N 5.87 2.27 -1.62 5.64 8.25 -1.26 0.60 115.22 134.97 3df2 n HIS 44 Ca 0.26 -2.96 -0.66 0.00 -0.26 0.00 0.00 57.72 54.10 3df2 n HIS 44 Cb 0.18 -2.36 -0.10 0.00 1.12 0.00 0.00 29.99 28.82 3df2 n HIS 44 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3df2 n GLN 45 N 3.30 0.01 -3.35 -0.41 7.27 -1.22 -4.81 117.38 118.17 3df2 n GLN 45 Ca 0.75 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 57.44 3df2 n GLN 45 Cb 0.28 -1.51 -0.06 0.00 2.41 0.00 0.00 30.24 31.36 3df2 n GLN 45 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3df2 s LYS 46 N 3.77 4.23 1.33 3.69 2.20 -1.26 -1.67 119.74 132.03 3df2 s LYS 46 Ca 1.09 0.47 -0.20 0.00 -0.36 0.00 0.00 55.97 56.97 3df2 s LYS 46 Cb -1.50 -3.37 0.32 0.00 -1.51 0.00 0.00 37.83 31.78 3df2 s LYS 46 CO 0.78 0.33 0.76 -0.35 -0.36 0.00 0.00 175.35 176.51 3df2 n PRO 47 N 3.05 -3.84 -3.33 4.03 -0.04 -1.26 -4.87 135.00 128.74 3df2 n PRO 47 Ca -0.09 -1.13 -0.25 0.00 -0.04 0.00 0.00 63.50 61.99 3df2 n PRO 47 Cb 0.52 -1.88 -0.09 0.00 -0.04 0.00 0.00 33.50 32.01 3df2 n PRO 47 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3df2 n VAL 48 N -5.38 -1.11 -0.72 0.52 3.14 -1.26 -5.00 118.33 108.51 3df2 n VAL 48 Ca 0.09 -3.21 0.00 0.00 -2.96 0.00 0.00 64.34 58.26 3df2 n VAL 48 Cb 0.55 -1.41 0.00 0.00 -1.06 0.00 0.00 33.84 31.92 3df2 n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3df2 n PRO 49 N 2.82 0.00 0.00 1.45 -0.02 -1.26 -4.13 135.00 133.85 3df2 n PRO 49 Ca 0.29 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3df2 n PRO 49 Cb 0.49 -0.72 0.00 0.00 -0.02 0.00 0.00 33.50 33.25 3df2 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3df2 n ALA 50 N 3.24 0.00 -1.23 3.55 0.00 -1.26 -5.10 120.51 119.71 3df2 n ALA 50 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3df2 n ALA 50 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 3df2 n ALA 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3df2 n LEU 51 N 0.00 -0.87 -4.25 0.00 0.00 -1.26 -4.75 117.00 105.86 3df2 n LEU 51 Ca 0.00 2.03 -0.31 0.00 0.00 0.00 0.00 56.01 57.73 3df2 n LEU 51 Cb 0.00 -2.80 -0.09 0.00 0.00 0.00 0.00 43.42 40.53 3df2 n LEU 51 CO 0.00 -1.93 -0.41 0.59 0.00 0.00 0.00 177.39 175.64 3df2 n ASN 52 N -4.01 0.50 -2.16 1.96 4.13 -1.26 -4.74 115.26 109.68 3df2 n ASN 52 Ca -0.08 -1.21 -0.22 0.00 1.68 0.00 0.00 54.58 54.76 3df2 n ASN 52 Cb 0.58 -1.51 0.02 0.00 -1.54 0.00 0.00 39.78 37.34 3df2 n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3df2 n GLN 53 N -4.33 3.37 -0.04 3.52 0.00 -1.26 -4.38 117.38 114.26 3df2 n GLN 53 Ca -0.25 -4.12 -0.12 0.00 0.00 0.00 0.00 57.00 52.51 3df2 n GLN 53 Cb 0.63 -2.19 -0.06 0.00 0.00 0.00 0.00 30.24 28.61 3df2 n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 3df2 h PRO 54 N 2.28 0.22 -0.17 2.61 0.13 -1.94 -3.40 132.00 131.73 3df2 h PRO 54 Ca 0.30 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 3df2 h PRO 54 Cb 1.44 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.55 3df2 h PRO 54 CO 0.70 0.45 -0.05 0.41 -0.23 0.00 0.00 178.00 179.29 3df2 n GLY 55 N -0.32 -2.79 0.00 1.56 0.00 -1.26 -4.82 105.19 97.56 3df2 n GLY 55 Ca -0.06 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3df2 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df2 n GLY 56 N -1.72 4.64 3.59 -0.02 0.00 -0.67 -4.96 105.19 106.05 3df2 n GLY 56 Ca -0.00 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 3df2 n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3df2 n ILE 57 N -1.89 2.19 -3.55 -0.61 5.41 -1.25 -3.37 119.36 116.28 3df2 n ILE 57 Ca 0.00 -0.50 -0.29 0.00 1.00 0.00 0.00 62.75 62.96 3df2 n ILE 57 Cb 0.00 -1.05 -0.12 0.00 -0.71 0.00 0.00 39.64 37.75 3df2 n ILE 57 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3df2 s VAL 58 N -1.21 0.58 -0.43 1.39 1.01 0.20 -4.86 120.40 117.08 3df2 s VAL 58 Ca 0.61 -1.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.34 3df2 s VAL 58 Cb -0.61 -1.42 -0.08 0.00 0.00 0.00 0.00 36.38 34.27 3df2 s VAL 58 CO 0.58 -0.95 2.36 1.21 0.00 0.00 0.00 175.10 178.31 3df2 n GLU 59 N 3.91 1.26 -4.45 2.72 2.13 -1.25 -3.53 120.64 121.42 3df2 n GLU 59 Ca 0.10 0.18 -0.22 0.00 0.66 0.00 0.00 57.16 57.88 3df2 n GLU 59 Cb 0.36 -3.21 -0.11 0.00 0.27 0.00 0.00 31.44 28.76 3df2 n GLU 59 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3df2 s LYS 60 N 7.60 1.63 0.69 5.31 2.47 -1.25 -4.76 119.74 131.44 3df2 s LYS 60 Ca 1.02 -1.87 -0.12 0.00 -1.56 0.00 0.00 55.97 53.44 3df2 s LYS 60 Cb -0.33 -1.04 0.18 0.00 -1.46 0.00 0.00 37.83 35.17 3df2 s LYS 60 CO 0.32 -0.09 0.47 0.39 0.16 0.00 0.00 175.35 176.60 3df2 n GLU 61 N -0.66 -2.99 0.00 4.03 -0.58 -1.26 0.12 120.64 119.30 3df2 n GLU 61 Ca -0.04 -0.77 0.00 0.00 -0.42 0.00 0.00 57.16 55.93 3df2 n GLU 61 Cb 0.65 -0.90 0.00 0.00 -0.57 0.00 0.00 31.44 30.62 3df2 n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3df2 n ALA 62 N -4.25 0.31 -0.52 0.62 0.00 0.22 -4.48 120.51 112.40 3df2 n ALA 62 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.35 3df2 n ALA 62 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 3df2 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df2 n ALA 63 N -0.25 -1.05 -2.58 0.00 0.00 -1.26 -5.00 120.51 110.37 3df2 n ALA 63 Ca 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 3df2 n ALA 63 Cb 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 19.45 18.59 3df2 n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3df2 s ILE 64 N -4.26 0.15 -0.05 0.00 1.10 -0.31 -4.87 121.20 112.96 3df2 s ILE 64 Ca 0.00 -1.25 -0.39 0.00 -0.51 0.00 0.00 60.65 58.50 3df2 s ILE 64 Cb 0.00 -1.05 -0.18 0.00 0.15 0.00 0.00 42.46 41.38 3df2 s ILE 64 CO 0.00 -0.69 1.37 0.00 -2.11 0.00 0.00 174.94 173.51 3df2 n GLN 65 N 0.56 0.78 0.05 3.50 1.13 -1.26 -0.13 117.38 122.01 3df2 n GLN 65 Ca -0.18 0.28 0.21 0.00 -1.94 0.00 0.00 57.00 55.38 3df2 n GLN 65 Cb 0.59 -1.89 0.71 0.00 0.11 0.00 0.00 30.24 29.77 3df2 n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 3df2 h VAL 66 N 3.72 0.33 0.00 5.09 3.04 -1.74 0.72 116.25 127.41 3df2 h VAL 66 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3df2 h VAL 66 Cb 1.36 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 3df2 h VAL 66 CO 0.79 0.00 0.00 -0.24 -1.01 0.00 0.00 177.57 177.11 3df2 n SER 67 N -3.66 0.00 -1.13 3.17 2.88 -1.26 -2.22 113.62 111.40 3df2 n SER 67 Ca 0.09 0.23 0.12 0.00 -1.33 0.00 0.00 58.87 57.98 3df2 n SER 67 Cb 0.73 -0.37 0.25 0.00 -0.75 0.00 0.00 64.21 64.07 3df2 n SER 67 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3df2 n ASN 68 N -1.37 3.34 -4.29 -3.46 3.02 0.25 -4.93 115.26 107.82 3df2 n ASN 68 Ca 0.06 -1.97 -0.24 0.00 -0.03 0.00 0.00 54.58 52.40 3df2 n ASN 68 Cb 0.16 -0.28 -0.13 0.00 -0.61 0.00 0.00 39.78 38.92 3df2 n ASN 68 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3df2 s VAL 69 N -1.43 1.75 -0.06 2.41 -7.23 -0.94 -0.69 120.40 114.20 3df2 s VAL 69 Ca 0.40 -1.55 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 3df2 s VAL 69 Cb 0.23 -1.59 0.02 0.00 0.56 0.00 0.00 36.38 35.60 3df2 s VAL 69 CO 0.31 -0.04 -0.08 0.00 -0.31 0.00 0.00 175.10 174.98 3df2 s ALA 70 N -1.15 0.96 -0.37 1.32 0.00 -1.26 -4.81 121.76 116.45 3df2 s ALA 70 Ca 0.07 -0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.51 3df2 s ALA 70 Cb -0.10 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 3df2 s ALA 70 CO 0.04 -0.01 1.79 0.96 0.00 0.00 0.00 175.76 178.54 3df2 s ILE 71 N 0.92 3.48 0.01 0.00 -4.36 -1.26 0.24 121.20 120.23 3df2 s ILE 71 Ca -0.11 0.46 -0.30 0.00 -0.26 0.00 0.00 60.65 60.45 3df2 s ILE 71 Cb -0.15 -3.70 -0.08 0.00 1.25 0.00 0.00 42.46 39.78 3df2 s ILE 71 CO 0.01 -0.49 1.82 0.12 0.24 0.00 0.00 174.94 176.63 3df2 s PHE 72 N 7.16 1.70 -0.50 1.37 5.36 0.17 -4.04 117.98 129.20 3df2 s PHE 72 Ca 0.77 -0.12 0.24 0.00 -0.96 0.00 0.00 56.93 56.86 3df2 s PHE 72 Cb -0.21 -4.10 0.40 0.00 -0.34 0.00 0.00 43.02 38.78 3df2 s PHE 72 CO 0.32 -4.75 1.53 -2.95 -1.46 0.00 0.00 175.22 167.91 3df2 h ASN 73 N 9.85 0.00 0.00 6.13 -0.00 0.14 -3.45 115.58 128.25 3df2 h ASN 73 Ca -0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 56.30 55.83 3df2 h ASN 73 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.53 3df2 h ASN 73 CO 0.94 0.01 0.00 0.00 -0.00 0.00 0.00 177.43 178.39 3df2 n ALA 74 N -2.01 0.00 0.28 4.14 0.00 -1.26 -4.54 120.51 117.13 3df2 n ALA 74 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3df2 n ALA 74 Cb 0.50 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.47 3df2 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df2 n ALA 75 N 0.00 1.37 -0.58 0.00 0.00 -1.26 -3.13 120.51 116.91 3df2 n ALA 75 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3df2 n ALA 75 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3df2 n ALA 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3df2 n THR 76 N -2.22 0.00 -2.62 0.00 -2.24 -1.26 -5.05 114.28 100.90 3df2 n THR 76 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 3df2 n THR 76 Cb 0.14 1.40 0.03 0.00 -2.10 0.00 0.00 70.33 69.79 3df2 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df2 n GLY 77 N 0.00 0.30 0.00 3.38 0.00 -1.18 -5.01 105.19 102.67 3df2 n GLY 77 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3df2 n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3df2 n LYS 78 N -1.99 0.00 -4.05 1.61 0.00 -1.26 -4.95 118.16 107.52 3df2 n LYS 78 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 58.01 3df2 n LYS 78 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.53 3df2 n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df2 s ALA 79 N -1.00 3.70 -0.37 3.14 0.00 -1.26 0.84 121.76 126.81 3df2 s ALA 79 Ca 0.00 -1.24 0.13 0.00 0.00 0.00 0.00 51.96 50.85 3df2 s ALA 79 Cb 0.00 -1.47 0.37 0.00 0.00 0.00 0.00 23.12 22.02 3df2 s ALA 79 CO 0.00 0.40 0.82 -0.25 0.00 0.00 0.00 175.76 176.74 3df2 n ASP 80 N -0.76 0.62 0.00 0.00 10.43 -1.26 -4.94 116.55 120.64 3df2 n ASP 80 Ca -0.08 -2.99 0.00 0.00 2.57 0.00 0.00 54.79 54.29 3df2 n ASP 80 Cb 0.56 -0.35 0.00 0.00 1.84 0.00 0.00 41.12 43.17 3df2 n ASP 80 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3df2 n ARG 81 N 0.20 0.00 0.00 -1.24 3.00 -1.26 -0.13 116.66 117.22 3df2 n ARG 81 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.03 3df2 n ARG 81 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.16 3df2 n ARG 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3df2 n VAL 82 N 0.00 0.00 -2.79 1.55 0.31 -1.26 -4.80 118.33 111.34 3df2 n VAL 82 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 3df2 n VAL 82 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 3df2 n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3df2 n GLY 83 N 0.13 -1.24 3.57 2.92 0.00 -1.21 0.72 105.19 110.08 3df2 n GLY 83 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 46.02 45.07 3df2 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3df2 s PHE 84 N -1.06 -0.73 0.00 1.61 2.99 -1.26 -4.19 117.98 115.34 3df2 s PHE 84 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 56.93 58.31 3df2 s PHE 84 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 43.02 43.46 3df2 s PHE 84 CO 0.00 -0.36 0.00 -2.13 -0.00 0.00 0.00 175.22 172.73 3df2 n ARG 85 N 4.31 -1.48 0.00 0.44 0.00 -0.50 -5.00 116.66 114.43 3df2 n ARG 85 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 3df2 n ARG 85 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.01 3df2 n ARG 85 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3df2 n PHE 86 N -1.22 0.00 -0.08 -0.14 -0.00 -1.23 -4.10 117.46 110.69 3df2 n PHE 86 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.31 3df2 n PHE 86 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.40 3df2 n PHE 86 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 3df2 h GLU 87 N 0.00 0.00 0.00 -4.13 -0.00 -1.94 -3.49 114.58 105.03 3df2 h GLU 87 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 59.36 58.90 3df2 h GLU 87 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 28.75 28.80 3df2 h GLU 87 CO 0.00 0.67 0.01 -0.40 -0.00 0.00 0.00 179.01 179.29 3df2 n ASP 88 N -4.54 1.71 -4.55 3.06 5.75 -1.26 -4.94 116.55 111.78 3df2 n ASP 88 Ca -0.19 -2.31 -0.14 0.00 -0.01 0.00 0.00 54.79 52.14 3df2 n ASP 88 Cb 0.48 -0.50 -0.09 0.00 -1.03 0.00 0.00 41.12 39.98 3df2 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3df2 n GLY 89 N -2.07 -0.21 3.15 6.12 0.00 -1.26 -4.69 105.19 106.22 3df2 n GLY 89 Ca 0.16 0.26 0.06 0.00 0.00 0.00 0.00 46.02 46.50 3df2 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df2 s LYS 90 N 8.66 0.07 0.15 1.61 1.02 -1.26 -5.06 119.74 124.93 3df2 s LYS 90 Ca 0.95 0.10 -0.24 0.00 0.02 0.00 0.00 55.97 56.81 3df2 s LYS 90 Cb -0.20 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.16 3df2 s LYS 90 CO 0.14 -0.11 1.30 1.17 -0.92 0.00 0.00 175.35 176.93 3df2 n LYS 91 N 5.28 -0.34 -2.04 1.68 4.81 -1.26 -4.22 118.16 122.07 3df2 n LYS 91 Ca 0.01 1.28 0.00 0.00 -0.87 0.00 0.00 58.31 58.72 3df2 n LYS 91 Cb 0.56 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.73 3df2 n LYS 91 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3df2 n VAL 92 N -5.09-11.80 -3.28 3.15 0.31 -1.26 -1.40 118.33 98.95 3df2 n VAL 92 Ca 0.03 3.08 -0.37 0.00 -0.01 0.00 0.00 64.34 67.07 3df2 n VAL 92 Cb 0.24 -4.90 -0.06 0.00 -0.91 0.00 0.00 33.84 28.22 3df2 n VAL 92 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3df2 s ARG 93 N -0.57 4.11 -0.03 5.55 0.52 -1.26 -1.85 118.95 125.42 3df2 s ARG 93 Ca 0.00 0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.87 3df2 s ARG 93 Cb 0.00 -3.05 0.03 0.00 0.52 0.00 0.00 34.95 32.45 3df2 s ARG 93 CO 0.00 0.53 -0.01 -0.59 0.02 0.00 0.00 175.30 175.25 3df2 s PHE 94 N -1.33 0.38 1.12 -0.53 -0.12 0.22 -2.68 117.98 115.04 3df2 s PHE 94 Ca 0.35 -0.03 -0.17 0.00 -0.05 0.00 0.00 56.93 57.03 3df2 s PHE 94 Cb -0.17 -0.45 0.14 0.00 -0.63 0.00 0.00 43.02 41.91 3df2 s PHE 94 CO 0.19 -0.14 0.24 1.19 -0.05 0.00 0.00 175.22 176.66 3df2 n PHE 95 N 4.14 -1.38 -3.27 3.49 3.01 -1.26 -3.28 117.46 118.92 3df2 n PHE 95 Ca -0.26 0.09 -0.21 0.00 1.01 0.00 0.00 57.45 58.07 3df2 n PHE 95 Cb 0.50 -1.61 0.04 0.00 -0.01 0.00 0.00 39.48 38.40 3df2 n PHE 95 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3df2 s LYS 96 N -3.66 2.32 0.00 -1.08 -0.14 0.81 -3.13 119.74 114.87 3df2 s LYS 96 Ca 0.59 -1.72 0.00 0.00 -1.36 0.00 0.00 55.97 53.48 3df2 s LYS 96 Cb -0.15 -2.51 0.00 0.00 -1.68 0.00 0.00 37.83 33.49 3df2 s LYS 96 CO 0.66 -0.75 0.00 -1.13 -0.76 0.00 0.00 175.35 173.37 3df2 n SER 97 N -2.08 0.00 0.00 2.83 3.41 -1.26 -3.71 113.62 112.80 3df2 n SER 97 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3df2 n SER 97 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3df2 n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3df2 n ASN 98 N 0.36 0.25 -3.26 4.04 0.23 -1.26 -5.00 115.26 110.63 3df2 n ASN 98 Ca 0.00 -0.59 -0.23 0.00 -0.53 0.00 0.00 54.58 53.23 3df2 n ASN 98 Cb 0.00 0.55 0.01 0.00 -2.08 0.00 0.00 39.78 38.26 3df2 n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3df2 n SER 99 N -0.55 -4.35 0.33 0.53 7.64 -1.18 -4.78 113.62 111.24 3df2 n SER 99 Ca 0.00 -0.35 0.16 0.00 1.01 0.00 0.00 58.87 59.69 3df2 n SER 99 Cb 0.02 -3.57 0.87 0.00 -1.01 0.00 0.00 64.21 60.51 3df2 n SER 99 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3df2 h GLU 100 N -1.07 0.00 -5.91 1.43 4.57 -1.84 -3.45 114.58 108.31 3df2 h GLU 100 Ca -0.45 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.53 3df2 h GLU 100 Cb 1.31 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.91 3df2 h GLU 100 CO 0.54 0.00 -0.84 2.41 -1.18 0.00 0.00 179.01 179.94 3df2 n THR 101 N -2.87 -7.60 0.00 0.32 -1.04 -1.26 -4.83 114.28 97.00 3df2 n THR 101 Ca -0.02 0.48 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 3df2 n THR 101 Cb 0.32 -5.47 0.00 0.00 -1.82 0.00 0.00 70.33 63.36 3df2 n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43