#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n ILE 2 N 0.00 0.00 -3.71 3.17 -0.00 -1.26 -5.07 119.36 112.50 3df2 n ILE 2 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 62.75 62.52 3df2 n ILE 2 Cb 0.00 -0.10 -0.17 0.00 -0.00 0.00 0.00 39.64 39.36 3df2 n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3df2 s ARG 3 N -1.25 0.29 0.46 6.28 3.03 -1.26 -5.15 118.95 121.35 3df2 s ARG 3 Ca 0.00 0.09 -0.16 0.00 2.03 0.00 0.00 55.73 57.69 3df2 s ARG 3 Cb 0.00 -1.13 -0.08 0.00 -1.03 0.00 0.00 34.95 32.71 3df2 s ARG 3 CO 0.00 -0.42 0.91 -2.00 -1.13 0.00 0.00 175.30 172.66 3df2 s GLU 4 N 2.05 3.99 0.61 3.89 -6.30 -1.26 -4.87 118.70 116.81 3df2 s GLU 4 Ca 0.04 0.88 0.35 0.00 -2.50 0.00 0.00 54.97 53.74 3df2 s GLU 4 Cb -0.13 -2.22 1.98 0.00 0.00 0.00 0.00 34.13 33.75 3df2 s GLU 4 CO -0.06 -0.13 2.26 1.05 0.02 0.00 0.00 175.26 178.41 3df2 h GLU 5 N 1.34 0.00 -0.16 4.30 4.11 -2.01 0.12 114.58 122.28 3df2 h GLU 5 Ca -0.47 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.00 3df2 h GLU 5 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3df2 h GLU 5 CO 0.62 0.02 0.29 -0.09 0.07 0.00 0.00 179.01 179.92 3df2 h ARG 6 N 0.00 0.00 0.00 1.06 1.12 -2.05 -0.89 114.38 113.63 3df2 h ARG 6 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3df2 h ARG 6 Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 3df2 h ARG 6 CO 0.00 0.00 -0.40 -0.11 -3.11 0.00 0.00 179.97 176.35 3df2 n LEU 7 N -3.39 0.00 -0.74 3.80 -0.00 -0.33 -4.71 117.00 111.62 3df2 n LEU 7 Ca 0.01 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 3df2 n LEU 7 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 3df2 n LEU 7 CO 0.22 0.00 0.16 0.18 -0.00 0.00 0.00 177.39 177.95 3df2 n LEU 8 N -1.09 0.84 -1.30 -1.96 4.77 0.27 -3.14 117.00 115.39 3df2 n LEU 8 Ca 0.00 -0.42 0.07 0.00 -0.03 0.00 0.00 56.01 55.63 3df2 n LEU 8 Cb 0.00 -0.21 0.27 0.00 -2.33 0.00 0.00 43.42 41.15 3df2 n LEU 8 CO 0.00 0.16 0.71 2.29 -1.33 0.00 0.00 177.39 179.21 3df2 n LYS 9 N 0.53 3.19 -0.01 3.23 0.00 -1.24 -4.66 118.16 119.19 3df2 n LYS 9 Ca 0.00 -2.16 -0.00 0.00 -0.00 0.00 0.00 58.31 56.15 3df2 n LYS 9 Cb 0.16 -1.80 -0.00 0.00 -0.00 0.00 0.00 35.03 33.39 3df2 n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3df2 n VAL 10 N 0.72 -0.01 -1.30 0.58 0.31 -1.19 -4.34 118.33 113.10 3df2 n VAL 10 Ca 0.19 1.18 -0.47 0.00 -0.01 0.00 0.00 64.34 65.24 3df2 n VAL 10 Cb 0.74 -1.57 -0.13 0.00 -0.91 0.00 0.00 33.84 31.97 3df2 n VAL 10 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3df2 n LEU 11 N -2.83 0.47 0.06 7.52 7.99 -1.26 -4.56 117.00 124.39 3df2 n LEU 11 Ca 0.00 0.39 -0.20 0.00 -0.01 0.00 0.00 56.01 56.18 3df2 n LEU 11 Cb 0.00 -0.86 -0.15 0.00 -0.11 0.00 0.00 43.42 42.31 3df2 n LEU 11 CO -0.00 -0.70 -0.52 0.03 -1.51 0.00 0.00 177.39 174.69 3df2 h ARG 12 N 10.00 0.32 -1.48 3.23 2.47 -1.53 -3.49 114.38 123.90 3df2 h ARG 12 Ca -0.07 -0.55 0.10 0.00 -1.26 0.00 0.00 59.98 58.21 3df2 h ARG 12 Cb 1.28 0.20 -0.24 0.00 -1.65 0.00 0.00 29.97 29.56 3df2 h ARG 12 CO 1.18 1.21 0.60 0.00 0.56 0.00 0.00 179.97 183.52 3df2 s ALA 13 N -2.59 -1.97 -0.90 0.04 0.00 -0.66 -5.00 121.76 110.68 3df2 s ALA 13 Ca -0.14 1.66 -0.25 0.00 0.00 0.00 0.00 51.96 53.23 3df2 s ALA 13 Cb 0.06 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.30 3df2 s ALA 13 CO 0.84 -0.29 1.41 -1.25 0.00 0.00 0.00 175.76 176.47 3df2 s PRO 14 N -0.95 3.38 0.09 0.00 0.04 -1.26 0.15 135.00 136.46 3df2 s PRO 14 Ca 0.00 -0.71 -0.31 0.00 0.04 0.00 0.00 61.00 60.02 3df2 s PRO 14 Cb -0.01 -4.86 -0.14 0.00 0.04 0.00 0.00 34.50 29.53 3df2 s PRO 14 CO -0.01 -2.23 1.61 1.25 0.04 0.00 0.00 177.00 177.66 3df2 h HIS 15 N 10.05 -0.97 -0.84 0.56 2.76 -1.84 -3.46 115.15 121.41 3df2 h HIS 15 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3df2 h HIS 15 Cb 1.03 0.37 0.00 0.00 1.55 0.00 0.00 27.41 30.36 3df2 h HIS 15 CO 1.21 -0.51 0.00 0.28 -1.30 0.00 0.00 177.93 177.62 3df2 n VAL 16 N -5.47 0.00 -3.85 5.26 0.31 -1.17 -4.93 118.33 108.49 3df2 n VAL 16 Ca -0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.13 3df2 n VAL 16 Cb 0.37 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.22 3df2 n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3df2 s SER 17 N 0.00 0.07 0.43 4.52 0.01 -1.26 -4.93 113.70 112.54 3df2 s SER 17 Ca 0.00 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.77 3df2 s SER 17 Cb 0.00 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.55 3df2 s SER 17 CO 0.00 -0.64 0.00 -0.62 0.41 0.00 0.00 173.24 172.39 3df2 n GLU 18 N 0.34 -2.79 0.00 12.44 -0.58 -1.26 -2.97 120.64 125.81 3df2 n GLU 18 Ca -0.17 2.08 0.00 0.00 -0.42 0.00 0.00 57.16 58.65 3df2 n GLU 18 Cb 0.61 -3.40 0.00 0.00 -0.57 0.00 0.00 31.44 28.08 3df2 n GLU 18 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3df2 n LYS 19 N -4.05 0.13 0.00 3.49 4.81 -1.26 -3.42 118.16 117.85 3df2 n LYS 19 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 3df2 n LYS 19 Cb 0.67 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.69 3df2 n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df2 n ALA 20 N -0.16 0.00 -0.15 3.14 0.00 -1.25 -3.96 120.51 118.13 3df2 n ALA 20 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3df2 n ALA 20 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 3df2 n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3df2 h SER 21 N 0.00 -0.86 -0.98 0.00 4.64 -1.55 0.21 113.55 115.01 3df2 h SER 21 Ca 0.00 0.13 0.12 0.00 -0.47 0.00 0.00 61.79 61.57 3df2 h SER 21 Cb 0.00 0.37 -0.14 0.00 -0.31 0.00 0.00 62.40 62.33 3df2 h SER 21 CO 0.00 -0.10 -0.48 0.35 -0.87 0.00 0.00 176.83 175.73 3df2 n THR 22 N -3.89 -0.59 0.12 2.95 -2.24 -1.23 -0.03 114.28 109.38 3df2 n THR 22 Ca 0.00 2.34 -0.16 0.00 -2.27 0.00 0.00 64.05 63.97 3df2 n THR 22 Cb 0.11 -2.99 -0.09 0.00 -2.10 0.00 0.00 70.33 65.26 3df2 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3df2 h ALA 23 N 0.93 -0.93 0.00 6.98 0.00 -1.20 2.08 119.26 127.12 3df2 h ALA 23 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3df2 h ALA 23 Cb 0.50 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3df2 h ALA 23 CO -0.95 -1.09 0.00 -0.12 0.00 0.00 0.00 179.25 177.08 3df2 n MET 24 N -5.49 0.86 0.00 0.00 1.56 0.61 -2.50 117.12 112.17 3df2 n MET 24 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.35 3df2 n MET 24 Cb 0.41 -1.07 0.00 0.00 2.15 0.00 0.00 33.22 34.71 3df2 n MET 24 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3df2 n GLU 25 N 1.06 0.00 0.00 2.12 2.13 0.12 -4.27 120.64 121.81 3df2 n GLU 25 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 3df2 n GLU 25 Cb 0.43 -0.34 0.75 0.00 0.27 0.00 0.00 31.44 32.55 3df2 n GLU 25 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3df2 n LYS 26 N -1.77 0.84 -0.05 5.31 4.76 0.66 -2.21 118.16 125.71 3df2 n LYS 26 Ca 0.00 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 3df2 n LYS 26 Cb 0.00 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 31.67 3df2 n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3df2 n SER 27 N -0.97 3.20 0.00 4.39 2.88 -1.04 -5.06 113.62 117.02 3df2 n SER 27 Ca 0.19 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 3df2 n SER 27 Cb 0.09 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 3df2 n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3df2 n ASN 28 N -2.61 0.00 -1.30 -3.46 6.94 -0.94 -5.10 115.26 108.79 3df2 n ASN 28 Ca -0.16 0.00 0.16 0.00 -0.02 0.00 0.00 54.58 54.57 3df2 n ASN 28 Cb 0.71 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.07 3df2 n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3df2 n THR 29 N -0.90 0.00 -3.69 5.53 -2.24 -1.26 -2.22 114.28 109.49 3df2 n THR 29 Ca 0.00 0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.96 3df2 n THR 29 Cb 0.00 -0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 67.41 3df2 n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3df2 s ILE 30 N -2.94 -0.00 0.17 2.28 2.07 -1.26 -4.23 121.20 117.29 3df2 s ILE 30 Ca 0.00 0.01 0.07 0.00 -1.41 0.00 0.00 60.65 59.32 3df2 s ILE 30 Cb 0.00 -0.72 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 3df2 s ILE 30 CO 0.00 0.00 0.01 0.68 -1.91 0.00 0.00 174.94 173.73 3df2 s VAL 31 N 0.46 3.81 -0.27 4.00 -7.23 -1.26 0.86 120.40 120.77 3df2 s VAL 31 Ca -0.02 -1.37 -0.29 0.00 -1.81 0.00 0.00 61.98 58.50 3df2 s VAL 31 Cb -0.04 -2.92 0.18 0.00 0.56 0.00 0.00 36.38 34.16 3df2 s VAL 31 CO -0.02 -0.10 1.30 -1.48 -0.31 0.00 0.00 175.10 174.49 3df2 s LEU 32 N -2.94 -0.11 0.28 1.32 2.34 -1.26 -3.04 118.68 115.28 3df2 s LEU 32 Ca 0.28 0.13 -0.30 0.00 0.06 0.00 0.00 54.13 54.29 3df2 s LEU 32 Cb -0.09 1.24 -0.12 0.00 -0.56 0.00 0.00 46.19 46.66 3df2 s LEU 32 CO 0.19 -0.09 1.58 1.17 -1.06 0.00 0.00 176.35 178.14 3df2 n LYS 33 N 0.73 2.62 -1.80 1.48 4.81 0.40 -1.78 118.16 124.63 3df2 n LYS 33 Ca -0.03 0.93 0.02 0.00 -0.87 0.00 0.00 58.31 58.36 3df2 n LYS 33 Cb 0.58 -2.70 0.02 0.00 0.02 0.00 0.00 35.03 32.96 3df2 n LYS 33 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3df2 n VAL 34 N 2.15 0.29 -1.59 3.15 0.24 -1.19 -1.66 118.33 119.72 3df2 n VAL 34 Ca 0.09 -1.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 3df2 n VAL 34 Cb 0.36 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 3df2 n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3df2 n ALA 35 N 0.19 -1.95 -0.11 2.33 0.00 -1.26 -3.70 120.51 116.01 3df2 n ALA 35 Ca 0.04 0.46 0.20 0.00 0.00 0.00 0.00 53.44 54.14 3df2 n ALA 35 Cb 1.04 -1.42 0.61 0.00 0.00 0.00 0.00 19.45 19.69 3df2 n ALA 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3df2 h LYS 36 N 1.53 0.18 0.00 0.00 3.11 -1.87 -3.04 116.57 116.48 3df2 h LYS 36 Ca 0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3df2 h LYS 36 Cb 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 3df2 h LYS 36 CO 0.00 0.12 0.00 -3.47 -2.81 0.00 0.00 179.45 173.29 3df2 n ASP 37 N -4.41 0.00 0.00 4.20 4.64 -1.26 -4.80 116.55 114.92 3df2 n ASP 37 Ca 0.14 0.50 0.00 0.00 -1.38 0.00 0.00 54.79 54.04 3df2 n ASP 37 Cb 0.64 -0.01 0.00 0.00 -1.04 0.00 0.00 41.12 40.71 3df2 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3df2 n ALA 38 N -0.53 0.00 0.00 -1.67 0.00 -1.15 -4.90 120.51 112.26 3df2 n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df2 n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df2 n ALA 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3df2 n THR 39 N 0.00 0.00 0.00 0.00 -1.04 -1.26 -5.00 114.28 106.97 3df2 n THR 39 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3df2 n THR 39 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3df2 n THR 39 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3df2 n LYS 40 N 0.00 0.00 -0.37 -2.82 4.81 -1.26 -4.21 118.16 114.32 3df2 n LYS 40 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 3df2 n LYS 40 Cb 0.00 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.22 3df2 n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df2 h ALA 41 N 0.00 1.38 -0.00 3.14 0.00 -1.96 0.34 119.26 122.16 3df2 h ALA 41 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3df2 h ALA 41 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3df2 h ALA 41 CO 0.00 0.42 -0.22 -0.85 0.00 0.00 0.00 179.25 178.60 3df2 n GLU 42 N -4.52 0.15 0.08 0.00 0.28 -1.26 -2.95 120.64 112.42 3df2 n GLU 42 Ca 0.15 -0.05 -0.08 0.00 -0.16 0.00 0.00 57.16 57.02 3df2 n GLU 42 Cb 0.19 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.47 3df2 n GLU 42 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3df2 h ILE 43 N 0.13 1.64 0.00 3.84 2.04 -0.74 -2.40 117.51 122.02 3df2 h ILE 43 Ca 0.00 -3.20 0.00 0.00 1.00 0.00 0.00 64.86 62.66 3df2 h ILE 43 Cb 0.47 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 3df2 h ILE 43 CO 0.00 0.92 0.00 1.17 0.00 0.00 0.00 178.15 180.24 3df2 n LYS 44 N -3.44 0.00 -0.26 2.37 4.81 0.06 -1.72 118.16 119.98 3df2 n LYS 44 Ca -0.02 0.46 0.33 0.00 -0.87 0.00 0.00 58.31 58.21 3df2 n LYS 44 Cb 0.92 -1.38 0.73 0.00 0.02 0.00 0.00 35.03 35.32 3df2 n LYS 44 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df2 h ALA 45 N -2.00 2.99 0.08 3.14 0.00 -1.69 0.51 119.26 122.28 3df2 h ALA 45 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3df2 h ALA 45 Cb 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3df2 h ALA 45 CO 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 179.25 177.85 3df2 h ALA 46 N 1.39 -0.11 -0.00 0.00 0.00 -1.18 0.24 119.26 119.59 3df2 h ALA 46 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3df2 h ALA 46 Cb 2.12 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.96 3df2 h ALA 46 CO -0.01 -0.56 -0.03 0.28 0.00 0.00 0.00 179.25 178.93 3df2 n VAL 47 N -5.15 0.00 -0.03 0.00 0.31 0.14 -2.59 118.33 111.01 3df2 n VAL 47 Ca -0.08 -0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.16 3df2 n VAL 47 Cb 0.08 -0.15 -0.01 0.00 -0.91 0.00 0.00 33.84 32.86 3df2 n VAL 47 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3df2 h GLN 48 N 0.75 0.00 -0.38 5.55 1.08 0.84 -3.17 115.11 119.77 3df2 h GLN 48 Ca 0.00 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 3df2 h GLN 48 Cb 0.23 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 3df2 h GLN 48 CO 0.00 0.00 0.16 0.87 -0.95 0.00 0.00 178.83 178.91 3df2 h LYS 49 N -0.55 0.32 -6.70 1.46 1.57 -0.72 -3.17 116.57 108.78 3df2 h LYS 49 Ca 0.00 -0.02 -0.45 0.00 -1.87 0.00 0.00 60.65 58.31 3df2 h LYS 49 Cb 0.17 -0.07 0.03 0.00 0.08 0.00 0.00 32.23 32.44 3df2 h LYS 49 CO 0.00 0.21 -0.10 -0.51 -0.57 0.00 0.00 179.45 178.49 3df2 s LEU 50 N -10.29 3.60 0.00 2.94 2.01 -1.07 -4.13 118.68 111.74 3df2 s LEU 50 Ca -0.13 0.20 0.00 0.00 0.01 0.00 0.00 54.13 54.21 3df2 s LEU 50 Cb 0.12 -3.09 0.00 0.00 0.01 0.00 0.00 46.19 43.23 3df2 s LEU 50 CO 0.72 -0.76 0.00 0.49 1.01 0.00 0.00 176.35 177.80 3df2 n PHE 51 N -2.10 0.00 -3.68 0.29 3.01 -1.26 -4.11 117.46 109.61 3df2 n PHE 51 Ca 0.02 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.24 3df2 n PHE 51 Cb 0.58 -0.11 0.03 0.00 -0.01 0.00 0.00 39.48 39.98 3df2 n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3df2 n GLU 52 N -0.36 -3.05 -4.43 -1.08 1.02 -1.20 -4.99 120.64 106.55 3df2 n GLU 52 Ca 0.00 0.56 -0.25 0.00 -0.02 0.00 0.00 57.16 57.44 3df2 n GLU 52 Cb 0.00 -4.78 -0.11 0.00 -0.02 0.00 0.00 31.44 26.54 3df2 n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3df2 s VAL 53 N -3.61 2.49 0.00 2.62 1.01 -1.20 -5.06 120.40 116.66 3df2 s VAL 53 Ca 0.22 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 60.03 3df2 s VAL 53 Cb -0.07 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3df2 s VAL 53 CO 0.83 -0.25 0.90 -0.62 0.00 0.00 0.00 175.10 175.96 3df2 n GLU 54 N -0.17 0.00 -2.01 2.72 -0.58 -1.26 -4.58 120.64 114.76 3df2 n GLU 54 Ca -0.09 0.54 -0.02 0.00 -0.42 0.00 0.00 57.16 57.17 3df2 n GLU 54 Cb 0.58 -1.40 -0.02 0.00 -0.57 0.00 0.00 31.44 30.03 3df2 n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3df2 n VAL 55 N -1.96 -7.28 0.00 2.62 0.31 -1.26 -4.82 118.33 105.95 3df2 n VAL 55 Ca 0.00 1.17 0.00 0.00 -0.01 0.00 0.00 64.34 65.50 3df2 n VAL 55 Cb 0.00 -5.00 0.00 0.00 -0.91 0.00 0.00 33.84 27.93 3df2 n VAL 55 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3df2 n GLU 56 N 0.66 0.00 0.00 5.55 2.13 -0.56 -4.76 120.64 123.66 3df2 n GLU 56 Ca -0.15 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.04 3df2 n GLU 56 Cb 0.23 -0.91 0.00 0.00 0.27 0.00 0.00 31.44 31.03 3df2 n GLU 56 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 3df2 n VAL 57 N -1.60 0.00 0.00 6.31 3.14 -1.25 -5.04 118.33 119.88 3df2 n VAL 57 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3df2 n VAL 57 Cb 0.00 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.53 3df2 n VAL 57 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 3df2 n VAL 58 N 0.00 0.00 -3.96 1.55 3.14 -1.21 -4.47 118.33 113.38 3df2 n VAL 58 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 3df2 n VAL 58 Cb 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 32.66 3df2 n VAL 58 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 3df2 s ASN 59 N 0.00 5.02 0.54 6.55 0.01 -0.54 -4.98 114.94 121.54 3df2 s ASN 59 Ca 0.00 -0.17 0.07 0.00 -0.71 0.00 0.00 52.86 52.05 3df2 s ASN 59 Cb 0.00 -1.87 0.05 0.00 0.41 0.00 0.00 41.25 39.84 3df2 s ASN 59 CO 0.00 0.05 0.56 0.42 -1.51 0.00 0.00 177.10 176.62 3df2 s THR 60 N 1.12 1.95 -0.30 1.60 -4.23 -1.25 -4.07 115.64 110.47 3df2 s THR 60 Ca 0.03 -1.27 -0.34 0.00 -1.18 0.00 0.00 61.69 58.93 3df2 s THR 60 Cb -0.14 -2.22 0.18 0.00 1.34 0.00 0.00 72.50 71.65 3df2 s THR 60 CO 0.02 0.00 1.39 -1.48 -0.54 0.00 0.00 174.62 174.01 3df2 s LEU 61 N -4.43 -0.01 0.35 4.79 0.05 -1.24 -4.93 118.68 113.27 3df2 s LEU 61 Ca 0.47 0.00 0.07 0.00 0.05 0.00 0.00 54.13 54.72 3df2 s LEU 61 Cb -0.04 1.02 -0.01 0.00 -2.05 0.00 0.00 46.19 45.11 3df2 s LEU 61 CO 0.29 -0.01 0.40 -0.69 -0.55 0.00 0.00 176.35 175.79 3df2 s VAL 62 N -1.54 3.63 -0.20 1.48 1.01 -1.26 0.67 120.40 124.19 3df2 s VAL 62 Ca 0.11 -1.17 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 3df2 s VAL 62 Cb -0.01 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.18 3df2 s VAL 62 CO -0.05 -0.13 0.02 -0.69 0.00 0.00 0.00 175.10 174.24 3df2 s VAL 63 N -2.27 0.70 0.25 2.92 1.01 0.03 -4.91 120.40 118.13 3df2 s VAL 63 Ca 0.45 -0.65 0.12 0.00 0.00 0.00 0.00 61.98 61.90 3df2 s VAL 63 Cb -0.08 -1.15 0.12 0.00 0.00 0.00 0.00 36.38 35.28 3df2 s VAL 63 CO 0.29 -0.17 1.26 0.11 0.00 0.00 0.00 175.10 176.59 3df2 h LYS 64 N 8.20 0.00 0.00 2.72 6.56 -1.89 -3.23 116.57 128.93 3df2 h LYS 64 Ca -0.17 0.00 0.17 0.00 -1.06 0.00 0.00 60.65 59.59 3df2 h LYS 64 Cb 1.11 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.73 3df2 h LYS 64 CO 0.35 0.00 -0.22 0.41 -2.06 0.00 0.00 179.45 177.93 3df2 n GLY 65 N -1.28 -1.75 3.48 3.86 0.00 -1.26 -4.64 105.19 103.61 3df2 n GLY 65 Ca -0.01 -1.22 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 3df2 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df2 s LYS 66 N -1.13 1.68 -0.06 1.61 1.02 -1.26 -4.99 119.74 116.59 3df2 s LYS 66 Ca 0.00 -1.86 -0.03 0.00 0.02 0.00 0.00 55.97 54.10 3df2 s LYS 66 Cb 0.00 -1.42 0.03 0.00 -0.52 0.00 0.00 37.83 35.93 3df2 s LYS 66 CO 0.00 0.09 0.15 0.54 -0.92 0.00 0.00 175.35 175.20 3df2 s VAL 67 N -2.82 -0.04 0.00 3.17 0.11 -1.26 -0.72 120.40 118.84 3df2 s VAL 67 Ca 0.31 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 3df2 s VAL 67 Cb 0.03 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 3df2 s VAL 67 CO 0.14 0.06 0.00 0.29 -3.33 0.00 0.00 175.10 172.26 3df2 n LYS 68 N 3.97 0.00 0.00 1.54 4.01 0.22 -4.91 118.16 122.99 3df2 n LYS 68 Ca -0.24 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.56 3df2 n LYS 68 Cb 0.53 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.05 3df2 n LYS 68 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3df2 n ARG 69 N 0.00 0.00 -1.73 1.97 3.00 -1.26 0.06 116.66 118.70 3df2 n ARG 69 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 3df2 n ARG 69 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.49 3df2 n ARG 69 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 3df2 s HIS 70 N -2.46 3.27 0.00 -0.14 -3.43 -1.25 -4.84 115.29 106.44 3df2 s HIS 70 Ca 0.00 1.39 0.00 0.00 -0.80 0.00 0.00 55.06 55.65 3df2 s HIS 70 Cb 0.00 -2.84 0.00 0.00 -1.43 0.00 0.00 32.58 28.31 3df2 s HIS 70 CO 0.00 -1.02 0.00 0.41 -2.00 0.00 0.00 174.74 172.13 3df2 n GLY 71 N -2.12 0.70 0.63 -1.38 0.00 -1.26 -1.35 105.19 100.41 3df2 n GLY 71 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3df2 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df2 n GLN 72 N 7.63 0.73 -4.81 1.61 10.64 -1.26 -4.75 117.38 127.16 3df2 n GLN 72 Ca 0.00 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.87 3df2 n GLN 72 Cb 0.00 -1.30 -0.14 0.00 -0.86 0.00 0.00 30.24 27.93 3df2 n GLN 72 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3df2 s ARG 73 N -0.67 1.72 0.17 2.61 1.81 -0.46 -5.14 118.95 118.99 3df2 s ARG 73 Ca 0.00 -1.14 0.06 0.00 -1.72 0.00 0.00 55.73 52.93 3df2 s ARG 73 Cb 0.00 -1.94 -0.04 0.00 -0.45 0.00 0.00 34.95 32.52 3df2 s ARG 73 CO 0.00 0.50 0.11 -1.50 -0.68 0.00 0.00 175.30 173.72 3df2 s ILE 74 N -0.85 4.29 -0.26 1.52 1.10 -1.26 -3.89 121.20 121.86 3df2 s ILE 74 Ca 0.12 -1.19 -0.02 0.00 -0.51 0.00 0.00 60.65 59.05 3df2 s ILE 74 Cb -0.10 -3.20 0.12 0.00 0.15 0.00 0.00 42.46 39.44 3df2 s ILE 74 CO 0.03 -0.13 0.27 -0.83 -2.11 0.00 0.00 174.94 172.17 3df2 s GLY 75 N -3.12 -0.10 -0.22 1.50 0.00 0.11 -4.84 107.32 100.65 3df2 s GLY 75 Ca 0.30 -0.03 -0.10 0.00 0.00 0.00 0.00 44.72 44.89 3df2 s GLY 75 CO 0.22 2.47 0.14 -1.60 0.00 0.00 0.00 173.10 174.33 3df2 s ARG 76 N 2.36 4.10 0.00 2.90 3.00 -1.26 0.73 118.95 130.78 3df2 s ARG 76 Ca 0.09 -0.26 0.00 0.00 -1.00 0.00 0.00 55.73 54.56 3df2 s ARG 76 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 34.95 31.33 3df2 s ARG 76 CO -0.25 0.16 0.00 0.54 0.00 0.00 0.00 175.30 175.75 3df2 n ARG 77 N 3.97 0.00 -3.89 5.12 1.74 0.10 -4.99 116.66 118.71 3df2 n ARG 77 Ca -0.15 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.84 3df2 n ARG 77 Cb 0.52 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.92 3df2 n ARG 77 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3df2 s SER 78 N -1.64 -0.19 0.19 0.55 0.01 -1.26 -5.00 113.70 106.36 3df2 s SER 78 Ca 0.00 -0.71 0.05 0.00 1.31 0.00 0.00 55.95 56.61 3df2 s SER 78 Cb 0.00 0.63 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 3df2 s SER 78 CO 0.00 -1.19 0.16 -1.81 0.41 0.00 0.00 173.24 170.81 3df2 s ASP 79 N -2.95 5.57 0.25 2.44 1.01 -1.26 -3.99 116.67 117.75 3df2 s ASP 79 Ca 0.15 -0.14 -0.19 0.00 0.71 0.00 0.00 52.55 53.08 3df2 s ASP 79 Cb -0.03 -1.46 0.02 0.00 1.01 0.00 0.00 42.92 42.46 3df2 s ASP 79 CO 0.05 0.04 0.64 -1.66 0.21 0.00 0.00 175.17 174.45 3df2 s TRP 80 N -1.85 -0.11 0.12 4.23 1.48 -1.22 -4.65 118.94 116.94 3df2 s TRP 80 Ca 0.32 -0.30 0.04 0.00 -1.06 0.00 0.00 56.10 55.10 3df2 s TRP 80 Cb -0.10 0.56 -0.04 0.00 -1.16 0.00 0.00 33.47 32.73 3df2 s TRP 80 CO 0.24 -1.12 0.11 0.21 -4.06 0.00 0.00 176.95 172.34 3df2 s LYS 81 N -3.92 2.92 0.10 3.25 2.47 -1.26 -0.79 119.74 122.51 3df2 s LYS 81 Ca 0.12 -0.76 0.03 0.00 -1.56 0.00 0.00 55.97 53.80 3df2 s LYS 81 Cb -0.04 -2.71 -0.04 0.00 -1.46 0.00 0.00 37.83 33.58 3df2 s LYS 81 CO 0.04 0.53 0.10 0.15 0.16 0.00 0.00 175.35 176.34 3df2 s LYS 82 N -2.73 2.93 0.00 4.03 1.02 0.21 -3.16 119.74 122.05 3df2 s LYS 82 Ca 0.30 -0.71 0.00 0.00 0.02 0.00 0.00 55.97 55.58 3df2 s LYS 82 Cb -0.11 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 3df2 s LYS 82 CO 0.23 0.55 0.00 0.00 -0.92 0.00 0.00 175.35 175.21 3df2 n ALA 83 N 0.26 0.00 -2.64 5.17 0.00 -0.73 -3.59 120.51 118.97 3df2 n ALA 83 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 3df2 n ALA 83 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3df2 n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3df2 n TYR 84 N -0.12 -2.60 -0.07 0.00 4.02 -0.80 -3.91 117.16 113.67 3df2 n TYR 84 Ca 0.00 1.03 -0.11 0.00 -0.01 0.00 0.00 57.90 58.81 3df2 n TYR 84 Cb 0.00 -3.57 -0.10 0.00 -0.02 0.00 0.00 39.34 35.65 3df2 n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3df2 h VAL 85 N 1.06 1.31 -2.79 -0.72 2.07 0.16 -1.43 116.25 115.91 3df2 h VAL 85 Ca 0.00 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.51 3df2 h VAL 85 Cb 0.88 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 3df2 h VAL 85 CO 0.19 0.44 -0.55 0.35 0.02 0.00 0.00 177.57 178.02 3df2 n THR 86 N -4.64 -7.44 -4.73 2.57 -2.24 -1.26 -3.32 114.28 93.21 3df2 n THR 86 Ca -0.09 1.88 -0.26 0.00 -2.27 0.00 0.00 64.05 63.31 3df2 n THR 86 Cb 0.38 -3.64 -0.14 0.00 -2.10 0.00 0.00 70.33 64.83 3df2 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3df2 s LEU 87 N -0.64 2.14 0.00 3.22 1.43 -1.26 -1.50 118.68 122.07 3df2 s LEU 87 Ca 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3df2 s LEU 87 Cb 0.00 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.23 3df2 s LEU 87 CO 0.00 0.18 0.00 0.29 0.23 0.00 0.00 176.35 177.05 3df2 n LYS 88 N 2.02 0.00 -0.00 1.70 4.76 -1.26 -4.68 118.16 120.70 3df2 n LYS 88 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 3df2 n LYS 88 Cb 0.53 -0.12 0.00 0.00 -1.84 0.00 0.00 35.03 33.60 3df2 n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3df2 n GLU 89 N 0.00 -0.02 0.00 1.97 -0.58 -1.26 -4.55 120.64 116.21 3df2 n GLU 89 Ca 0.00 -0.76 0.08 0.00 -0.42 0.00 0.00 57.16 56.07 3df2 n GLU 89 Cb 0.00 -1.01 0.50 0.00 -0.57 0.00 0.00 31.44 30.36 3df2 n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3df2 n GLY 90 N -0.09 -0.57 3.55 0.62 0.00 -1.26 -4.66 105.19 102.78 3df2 n GLY 90 Ca 0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3df2 n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3df2 s GLN 91 N -2.00 2.17 0.00 1.61 -0.21 -1.26 -4.52 119.66 115.45 3df2 s GLN 91 Ca 0.25 0.94 0.00 0.00 0.02 0.00 0.00 55.36 56.58 3df2 s GLN 91 Cb 0.12 -4.61 0.00 0.00 1.00 0.00 0.00 33.01 29.52 3df2 s GLN 91 CO 0.19 -3.36 0.00 0.09 -2.12 0.00 0.00 175.29 170.09 3df2 n ASN 92 N 15.51 0.00 0.00 5.90 5.03 -1.26 -5.16 115.26 135.28 3df2 n ASN 92 Ca 0.35 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.88 3df2 n ASN 92 Cb 0.52 0.00 0.49 0.00 -1.02 0.00 0.00 39.78 39.76 3df2 n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61