#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n ILE 2 N 0.00 0.00 -3.72 3.17 -0.00 -1.26 -5.07 119.36 112.49 3df4 n ILE 2 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 62.75 62.52 3df4 n ILE 2 Cb 0.00 -0.13 -0.17 0.00 -0.00 0.00 0.00 39.64 39.34 3df4 n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3df4 s ARG 3 N -1.33 0.37 0.43 6.28 3.03 -1.26 -5.15 118.95 121.32 3df4 s ARG 3 Ca 0.00 0.06 -0.18 0.00 2.03 0.00 0.00 55.73 57.64 3df4 s ARG 3 Cb 0.00 -1.18 -0.09 0.00 -1.03 0.00 0.00 34.95 32.65 3df4 s ARG 3 CO 0.00 -0.42 0.90 -2.00 -1.13 0.00 0.00 175.30 172.65 3df4 s GLU 4 N 2.02 4.07 0.62 3.89 -6.30 -1.26 -4.87 118.70 116.88 3df4 s GLU 4 Ca 0.04 0.93 0.34 0.00 -2.50 0.00 0.00 54.97 53.78 3df4 s GLU 4 Cb -0.14 -2.24 1.99 0.00 0.00 0.00 0.00 34.13 33.75 3df4 s GLU 4 CO -0.06 -0.05 2.27 1.05 0.02 0.00 0.00 175.26 178.50 3df4 h GLU 5 N 1.68 0.00 -0.24 4.30 4.11 -2.01 0.12 114.58 122.54 3df4 h GLU 5 Ca -0.48 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.02 3df4 h GLU 5 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3df4 h GLU 5 CO 0.62 0.00 0.33 -0.09 0.07 0.00 0.00 179.01 179.95 3df4 h ARG 6 N 0.00 0.00 0.00 1.06 1.12 -2.05 -0.67 114.38 113.85 3df4 h ARG 6 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 3df4 h ARG 6 Cb 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.02 3df4 h ARG 6 CO -0.00 0.00 -0.40 -0.11 -3.11 0.00 0.00 179.97 176.35 3df4 n LEU 7 N -3.53 0.00 -0.77 3.80 -0.00 -0.16 -4.70 117.00 111.64 3df4 n LEU 7 Ca 0.03 -0.27 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 3df4 n LEU 7 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 3df4 n LEU 7 CO 0.24 0.00 0.18 0.18 -0.00 0.00 0.00 177.39 177.99 3df4 n LEU 8 N -1.14 0.96 -1.36 -1.96 4.77 0.23 -3.17 117.00 115.33 3df4 n LEU 8 Ca 0.00 -0.48 0.07 0.00 -0.03 0.00 0.00 56.01 55.57 3df4 n LEU 8 Cb 0.00 -0.23 0.29 0.00 -2.33 0.00 0.00 43.42 41.15 3df4 n LEU 8 CO 0.00 0.18 0.72 2.29 -1.33 0.00 0.00 177.39 179.25 3df4 n LYS 9 N 0.54 3.31 -0.10 3.23 0.00 -1.24 -4.66 118.16 119.25 3df4 n LYS 9 Ca 0.00 -2.27 -0.03 0.00 -0.00 0.00 0.00 58.31 56.01 3df4 n LYS 9 Cb 0.18 -1.83 -0.02 0.00 -0.00 0.00 0.00 35.03 33.36 3df4 n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3df4 n VAL 10 N 0.77 -0.16 -1.40 0.58 0.31 -1.19 -4.33 118.33 112.90 3df4 n VAL 10 Ca 0.20 1.44 -0.49 0.00 -0.01 0.00 0.00 64.34 65.49 3df4 n VAL 10 Cb 0.78 -1.86 -0.14 0.00 -0.91 0.00 0.00 33.84 31.71 3df4 n VAL 10 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3df4 n LEU 11 N -3.47 0.49 0.06 7.52 7.99 -1.26 -4.54 117.00 123.78 3df4 n LEU 11 Ca 0.00 0.38 -0.21 0.00 -0.01 0.00 0.00 56.01 56.17 3df4 n LEU 11 Cb 0.06 -0.92 -0.15 0.00 -0.11 0.00 0.00 43.42 42.31 3df4 n LEU 11 CO -0.04 -0.74 -0.53 0.03 -1.51 0.00 0.00 177.39 174.60 3df4 h ARG 12 N 10.83 0.34 -1.47 3.23 2.47 -1.54 -3.49 114.38 124.75 3df4 h ARG 12 Ca -0.07 -0.57 0.11 0.00 -1.26 0.00 0.00 59.98 58.18 3df4 h ARG 12 Cb 1.35 0.21 -0.24 0.00 -1.65 0.00 0.00 29.97 29.64 3df4 h ARG 12 CO 1.27 1.24 0.61 0.00 0.56 0.00 0.00 179.97 183.64 3df4 s ALA 13 N -2.58 -1.98 -0.90 0.04 0.00 -0.62 -5.00 121.76 110.72 3df4 s ALA 13 Ca -0.15 1.68 -0.25 0.00 0.00 0.00 0.00 51.96 53.24 3df4 s ALA 13 Cb 0.06 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.24 3df4 s ALA 13 CO 0.84 -0.28 1.41 -1.25 0.00 0.00 0.00 175.76 176.48 3df4 s PRO 14 N -0.86 3.39 0.10 0.00 0.04 -1.26 0.18 135.00 136.58 3df4 s PRO 14 Ca 0.01 -0.72 -0.31 0.00 0.04 0.00 0.00 61.00 60.02 3df4 s PRO 14 Cb -0.01 -4.88 -0.13 0.00 0.04 0.00 0.00 34.50 29.52 3df4 s PRO 14 CO -0.02 -2.24 1.61 1.25 0.04 0.00 0.00 177.00 177.65 3df4 h HIS 15 N 10.04 -0.96 -0.84 0.56 2.76 -1.84 -3.46 115.15 121.41 3df4 h HIS 15 Ca 0.01 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3df4 h HIS 15 Cb 1.03 0.38 0.00 0.00 1.55 0.00 0.00 27.41 30.37 3df4 h HIS 15 CO 1.22 -0.49 0.00 0.28 -1.30 0.00 0.00 177.93 177.63 3df4 n VAL 16 N -5.46 0.00 -3.83 5.26 0.31 -1.17 -4.93 118.33 108.51 3df4 n VAL 16 Ca -0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 3df4 n VAL 16 Cb 0.36 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.22 3df4 n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3df4 s SER 17 N 0.00 0.06 0.43 4.52 0.01 -1.26 -4.93 113.70 112.52 3df4 s SER 17 Ca 0.00 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.76 3df4 s SER 17 Cb 0.00 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.56 3df4 s SER 17 CO 0.00 -0.67 0.00 -0.62 0.41 0.00 0.00 173.24 172.36 3df4 n GLU 18 N 0.23 -2.72 0.00 12.44 -0.58 -1.26 -2.93 120.64 125.82 3df4 n GLU 18 Ca -0.17 2.04 0.00 0.00 -0.42 0.00 0.00 57.16 58.61 3df4 n GLU 18 Cb 0.61 -3.32 0.00 0.00 -0.57 0.00 0.00 31.44 28.16 3df4 n GLU 18 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3df4 n LYS 19 N -4.00 0.10 0.00 3.49 4.81 -1.26 -3.37 118.16 117.93 3df4 n LYS 19 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 3df4 n LYS 19 Cb 0.66 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.69 3df4 n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df4 n ALA 20 N -0.07 0.00 -0.19 3.14 0.00 -1.25 -3.99 120.51 118.16 3df4 n ALA 20 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3df4 n ALA 20 Cb 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 3df4 n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3df4 h SER 21 N 0.00 -1.09 -0.95 0.00 4.64 -1.54 0.22 113.55 114.84 3df4 h SER 21 Ca 0.00 0.16 0.11 0.00 -0.47 0.00 0.00 61.79 61.59 3df4 h SER 21 Cb 0.00 0.48 -0.13 0.00 -0.31 0.00 0.00 62.40 62.43 3df4 h SER 21 CO 0.00 -0.14 -0.50 0.71 -0.87 0.00 0.00 176.83 176.03 3df4 h THR 22 N -0.04 0.01 0.14 2.95 1.35 -1.76 0.34 112.91 115.89 3df4 h THR 22 Ca 0.07 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.95 3df4 h THR 22 Cb 0.23 0.01 -0.05 0.00 -1.73 0.00 0.00 68.15 66.61 3df4 h THR 22 CO -0.45 0.00 -0.51 0.00 -0.25 0.00 0.00 175.52 174.31 3df4 h ALA 23 N 0.83 -0.96 0.00 6.62 0.00 -1.23 2.06 119.26 126.58 3df4 h ALA 23 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3df4 h ALA 23 Cb 0.50 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3df4 h ALA 23 CO -0.93 -1.11 0.00 -0.12 0.00 0.00 0.00 179.25 177.09 3df4 n MET 24 N -5.49 0.84 0.00 0.00 1.56 0.62 -2.47 117.12 112.18 3df4 n MET 24 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.35 3df4 n MET 24 Cb 0.41 -1.08 0.00 0.00 2.15 0.00 0.00 33.22 34.70 3df4 n MET 24 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3df4 n GLU 25 N 1.11 0.00 0.00 2.12 2.13 0.12 -4.29 120.64 121.83 3df4 n GLU 25 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 3df4 n GLU 25 Cb 0.42 -0.31 0.75 0.00 0.27 0.00 0.00 31.44 32.57 3df4 n GLU 25 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3df4 n LYS 26 N -1.81 0.83 -0.04 5.31 4.76 0.66 -2.08 118.16 125.79 3df4 n LYS 26 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 3df4 n LYS 26 Cb 0.00 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.66 3df4 n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3df4 n SER 27 N -0.98 3.15 0.00 4.39 2.88 -1.03 -5.06 113.62 116.98 3df4 n SER 27 Ca 0.19 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 3df4 n SER 27 Cb 0.09 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 3df4 n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3df4 n ASN 28 N -2.54 0.00 -1.28 -3.46 6.94 -0.88 -5.10 115.26 108.94 3df4 n ASN 28 Ca -0.15 0.00 0.16 0.00 -0.02 0.00 0.00 54.58 54.57 3df4 n ASN 28 Cb 0.72 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.09 3df4 n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3df4 n THR 29 N -0.98 0.00 -3.70 5.53 -2.24 -1.26 -2.19 114.28 109.44 3df4 n THR 29 Ca 0.00 0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.96 3df4 n THR 29 Cb 0.00 -0.72 -0.09 0.00 -2.10 0.00 0.00 70.33 67.42 3df4 n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3df4 s ILE 30 N -2.94 -0.00 0.17 2.28 2.07 -1.26 -4.23 121.20 117.28 3df4 s ILE 30 Ca 0.00 0.01 0.07 0.00 -1.41 0.00 0.00 60.65 59.32 3df4 s ILE 30 Cb 0.00 -0.72 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 3df4 s ILE 30 CO 0.00 0.00 0.01 0.68 -1.91 0.00 0.00 174.94 173.73 3df4 s VAL 31 N 0.43 3.81 -0.26 4.00 -7.23 -1.26 0.79 120.40 120.68 3df4 s VAL 31 Ca -0.01 -1.37 -0.29 0.00 -1.81 0.00 0.00 61.98 58.50 3df4 s VAL 31 Cb -0.04 -2.92 0.18 0.00 0.56 0.00 0.00 36.38 34.16 3df4 s VAL 31 CO -0.01 -0.10 1.29 -1.48 -0.31 0.00 0.00 175.10 174.48 3df4 s LEU 32 N -2.94 -0.11 0.29 1.32 2.34 -1.26 -3.03 118.68 115.30 3df4 s LEU 32 Ca 0.28 0.13 -0.30 0.00 0.06 0.00 0.00 54.13 54.29 3df4 s LEU 32 Cb -0.09 1.25 -0.12 0.00 -0.56 0.00 0.00 46.19 46.67 3df4 s LEU 32 CO 0.19 -0.10 1.61 1.17 -1.06 0.00 0.00 176.35 178.17 3df4 n LYS 33 N 0.65 2.75 -1.74 1.48 4.81 0.48 -1.73 118.16 124.87 3df4 n LYS 33 Ca -0.03 0.98 0.03 0.00 -0.87 0.00 0.00 58.31 58.42 3df4 n LYS 33 Cb 0.59 -2.77 0.02 0.00 0.02 0.00 0.00 35.03 32.89 3df4 n LYS 33 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3df4 n VAL 34 N 2.21 0.23 -1.58 3.15 0.24 -1.19 -1.59 118.33 119.80 3df4 n VAL 34 Ca 0.09 -1.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.08 3df4 n VAL 34 Cb 0.37 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 3df4 n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3df4 n ALA 35 N 0.25 -1.95 -0.14 2.33 0.00 -1.26 -3.69 120.51 116.05 3df4 n ALA 35 Ca 0.04 0.45 0.21 0.00 0.00 0.00 0.00 53.44 54.15 3df4 n ALA 35 Cb 1.06 -1.41 0.62 0.00 0.00 0.00 0.00 19.45 19.72 3df4 n ALA 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3df4 h LYS 36 N 1.60 0.17 0.00 0.00 3.11 -1.87 -3.03 116.57 116.56 3df4 h LYS 36 Ca 0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3df4 h LYS 36 Cb 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.22 3df4 h LYS 36 CO 0.00 0.12 0.00 -3.47 -2.81 0.00 0.00 179.45 173.29 3df4 n ASP 37 N -4.40 0.00 0.00 4.20 4.64 -1.26 -4.80 116.55 114.93 3df4 n ASP 37 Ca 0.15 0.47 0.00 0.00 -1.38 0.00 0.00 54.79 54.03 3df4 n ASP 37 Cb 0.70 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.78 3df4 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3df4 n ALA 38 N -0.54 0.00 0.00 -1.67 0.00 -1.14 -4.90 120.51 112.26 3df4 n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df4 n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df4 n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3df4 n THR 39 N 0.00 0.00 0.00 0.00 5.66 -1.26 -5.00 114.28 113.68 3df4 n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3df4 n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3df4 n THR 39 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3df4 n LYS 40 N 0.00 0.00 -0.36 1.09 4.81 -1.26 -4.23 118.16 118.21 3df4 n LYS 40 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 3df4 n LYS 40 Cb 0.00 0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.26 3df4 n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df4 h ALA 41 N 0.00 1.47 -0.00 3.14 0.00 -1.96 0.48 119.26 122.39 3df4 h ALA 41 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3df4 h ALA 41 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3df4 h ALA 41 CO 0.00 0.34 -0.23 -0.85 0.00 0.00 0.00 179.25 178.50 3df4 n GLU 42 N -4.55 0.21 0.07 0.00 0.28 -1.26 -3.00 120.64 112.40 3df4 n GLU 42 Ca 0.17 -0.08 -0.09 0.00 -0.16 0.00 0.00 57.16 57.00 3df4 n GLU 42 Cb 0.27 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.53 3df4 n GLU 42 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3df4 h ILE 43 N 0.20 1.65 0.00 3.84 2.04 -0.47 -2.43 117.51 122.35 3df4 h ILE 43 Ca 0.00 -3.26 0.00 0.00 1.00 0.00 0.00 64.86 62.60 3df4 h ILE 43 Cb 0.47 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 3df4 h ILE 43 CO 0.00 0.94 0.00 1.17 0.00 0.00 0.00 178.15 180.26 3df4 n LYS 44 N -3.42 0.00 -0.29 2.37 4.81 0.13 -1.75 118.16 120.01 3df4 n LYS 44 Ca -0.02 0.47 0.34 0.00 -0.87 0.00 0.00 58.31 58.23 3df4 n LYS 44 Cb 0.94 -1.39 0.74 0.00 0.02 0.00 0.00 35.03 35.35 3df4 n LYS 44 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df4 h ALA 45 N -2.00 3.06 0.02 3.14 0.00 -1.69 0.52 119.26 122.31 3df4 h ALA 45 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3df4 h ALA 45 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3df4 h ALA 45 CO 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 179.25 177.80 3df4 h ALA 46 N 1.41 -0.06 -0.01 0.00 0.00 -1.19 0.24 119.26 119.65 3df4 h ALA 46 Ca 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3df4 h ALA 46 Cb 2.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.03 3df4 h ALA 46 CO -0.01 -0.54 -0.01 0.28 0.00 0.00 0.00 179.25 178.97 3df4 n VAL 47 N -5.14 0.00 -0.04 0.00 0.31 0.15 -2.60 118.33 111.01 3df4 n VAL 47 Ca -0.07 -0.10 -0.02 0.00 -0.01 0.00 0.00 64.34 64.14 3df4 n VAL 47 Cb 0.08 -0.08 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3df4 n VAL 47 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3df4 h GLN 48 N 0.96 0.00 -0.38 5.55 1.08 0.97 -3.16 115.11 120.13 3df4 h GLN 48 Ca 0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3df4 h GLN 48 Cb 0.23 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 3df4 h GLN 48 CO 0.00 0.00 0.20 0.87 -0.95 0.00 0.00 178.83 178.95 3df4 h LYS 49 N -0.62 0.40 -6.71 1.46 1.57 -0.73 -3.19 116.57 108.75 3df4 h LYS 49 Ca 0.00 -0.02 -0.45 0.00 -1.87 0.00 0.00 60.65 58.30 3df4 h LYS 49 Cb 0.21 -0.09 0.03 0.00 0.08 0.00 0.00 32.23 32.46 3df4 h LYS 49 CO 0.00 0.26 -0.09 -0.51 -0.57 0.00 0.00 179.45 178.54 3df4 s LEU 50 N -10.23 3.59 0.00 2.94 2.01 -1.07 -4.14 118.68 111.77 3df4 s LEU 50 Ca -0.13 0.20 0.00 0.00 0.01 0.00 0.00 54.13 54.21 3df4 s LEU 50 Cb 0.11 -3.08 0.00 0.00 0.01 0.00 0.00 46.19 43.23 3df4 s LEU 50 CO 0.72 -0.78 0.00 0.49 1.01 0.00 0.00 176.35 177.79 3df4 n PHE 51 N -2.11 0.00 -3.63 0.29 3.01 -1.26 -4.11 117.46 109.65 3df4 n PHE 51 Ca 0.03 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.24 3df4 n PHE 51 Cb 0.58 -0.08 0.04 0.00 -0.01 0.00 0.00 39.48 40.01 3df4 n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3df4 n GLU 52 N -0.26 -2.99 -4.44 -1.08 1.02 -1.20 -4.99 120.64 106.69 3df4 n GLU 52 Ca 0.00 0.59 -0.26 0.00 -0.02 0.00 0.00 57.16 57.47 3df4 n GLU 52 Cb 0.00 -4.86 -0.11 0.00 -0.02 0.00 0.00 31.44 26.45 3df4 n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3df4 s VAL 53 N -3.57 2.39 0.00 2.62 1.01 -1.19 -5.06 120.40 116.60 3df4 s VAL 53 Ca 0.25 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 60.05 3df4 s VAL 53 Cb -0.07 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.12 3df4 s VAL 53 CO 0.82 -0.24 0.94 -0.62 0.00 0.00 0.00 175.10 176.00 3df4 n GLU 54 N -0.09 0.00 -2.04 2.72 -0.58 -1.26 -4.58 120.64 114.81 3df4 n GLU 54 Ca -0.10 0.59 -0.02 0.00 -0.42 0.00 0.00 57.16 57.21 3df4 n GLU 54 Cb 0.58 -1.44 -0.02 0.00 -0.57 0.00 0.00 31.44 29.99 3df4 n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3df4 n VAL 55 N -2.10 -7.62 0.00 2.62 0.31 -1.26 -4.81 118.33 105.47 3df4 n VAL 55 Ca 0.00 1.26 0.00 0.00 -0.01 0.00 0.00 64.34 65.59 3df4 n VAL 55 Cb 0.00 -5.08 0.00 0.00 -0.91 0.00 0.00 33.84 27.85 3df4 n VAL 55 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3df4 n GLU 56 N 0.72 0.00 0.00 5.55 2.13 -0.52 -4.75 120.64 123.77 3df4 n GLU 56 Ca -0.16 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.01 3df4 n GLU 56 Cb 0.25 -0.89 0.00 0.00 0.27 0.00 0.00 31.44 31.08 3df4 n GLU 56 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 3df4 n VAL 57 N -1.58 0.00 0.00 6.31 3.14 -1.25 -5.04 118.33 119.91 3df4 n VAL 57 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3df4 n VAL 57 Cb 0.00 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 3df4 n VAL 57 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 3df4 n VAL 58 N 0.00 0.00 -3.94 1.55 3.14 -1.21 -4.47 118.33 113.39 3df4 n VAL 58 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 3df4 n VAL 58 Cb 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 32.66 3df4 n VAL 58 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 3df4 s ASN 59 N 0.00 5.07 0.52 6.55 0.01 -0.55 -4.99 114.94 121.56 3df4 s ASN 59 Ca 0.00 -0.16 0.08 0.00 -0.71 0.00 0.00 52.86 52.06 3df4 s ASN 59 Cb 0.00 -1.88 0.04 0.00 0.41 0.00 0.00 41.25 39.82 3df4 s ASN 59 CO 0.00 0.04 0.56 0.42 -1.51 0.00 0.00 177.10 176.61 3df4 s THR 60 N 1.15 2.11 -0.29 1.60 -4.23 -1.25 -4.08 115.64 110.65 3df4 s THR 60 Ca 0.04 -1.25 -0.33 0.00 -1.18 0.00 0.00 61.69 58.97 3df4 s THR 60 Cb -0.14 -2.35 0.18 0.00 1.34 0.00 0.00 72.50 71.52 3df4 s THR 60 CO 0.02 0.00 1.37 -1.48 -0.54 0.00 0.00 174.62 174.00 3df4 s LEU 61 N -4.40 -0.02 0.38 4.79 0.05 -1.24 -4.93 118.68 113.31 3df4 s LEU 61 Ca 0.48 0.01 0.07 0.00 0.05 0.00 0.00 54.13 54.75 3df4 s LEU 61 Cb -0.04 1.05 -0.01 0.00 -2.05 0.00 0.00 46.19 45.14 3df4 s LEU 61 CO 0.30 -0.03 0.45 -0.69 -0.55 0.00 0.00 176.35 175.83 3df4 s VAL 62 N -1.47 3.34 -0.21 1.48 1.01 -1.26 0.85 120.40 124.14 3df4 s VAL 62 Ca 0.10 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 3df4 s VAL 62 Cb -0.01 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.28 3df4 s VAL 62 CO -0.06 -0.08 0.05 -0.69 0.00 0.00 0.00 175.10 174.32 3df4 s VAL 63 N -2.32 0.51 0.29 2.92 1.01 -0.04 -4.90 120.40 117.88 3df4 s VAL 63 Ca 0.48 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.92 3df4 s VAL 63 Cb -0.08 -1.08 0.09 0.00 0.00 0.00 0.00 36.38 35.32 3df4 s VAL 63 CO 0.30 -0.28 1.16 0.11 0.00 0.00 0.00 175.10 176.39 3df4 h LYS 64 N 8.24 0.00 0.00 2.72 6.56 -1.89 -3.24 116.57 128.96 3df4 h LYS 64 Ca -0.16 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.61 3df4 h LYS 64 Cb 1.11 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.72 3df4 h LYS 64 CO 0.35 0.00 -0.24 0.41 -2.06 0.00 0.00 179.45 177.91 3df4 n GLY 65 N -1.29 -1.79 3.54 3.86 0.00 -1.26 -4.63 105.19 103.63 3df4 n GLY 65 Ca -0.01 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 3df4 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df4 s LYS 66 N -1.25 1.81 -0.09 1.61 1.02 -1.26 -4.99 119.74 116.58 3df4 s LYS 66 Ca 0.00 -1.96 -0.05 0.00 0.02 0.00 0.00 55.97 53.98 3df4 s LYS 66 Cb 0.00 -1.56 0.04 0.00 -0.52 0.00 0.00 37.83 35.79 3df4 s LYS 66 CO 0.00 0.05 0.22 0.54 -0.92 0.00 0.00 175.35 175.25 3df4 s VAL 67 N -2.73 -0.04 0.00 3.17 0.11 -1.26 -0.74 120.40 118.91 3df4 s VAL 67 Ca 0.33 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 3df4 s VAL 67 Cb 0.05 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 3df4 s VAL 67 CO 0.16 0.06 0.00 0.29 -3.33 0.00 0.00 175.10 172.28 3df4 n LYS 68 N 4.18 0.00 0.00 1.54 4.01 0.21 -4.91 118.16 123.20 3df4 n LYS 68 Ca -0.25 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.55 3df4 n LYS 68 Cb 0.53 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.05 3df4 n LYS 68 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3df4 n ARG 69 N 0.00 0.00 -1.83 1.97 3.00 -1.26 0.03 116.66 118.56 3df4 n ARG 69 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 3df4 n ARG 69 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.48 3df4 n ARG 69 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 3df4 s HIS 70 N -2.58 3.39 0.00 -0.14 -3.43 -1.25 -4.85 115.29 106.43 3df4 s HIS 70 Ca 0.00 1.37 0.00 0.00 -0.80 0.00 0.00 55.06 55.63 3df4 s HIS 70 Cb 0.00 -2.80 0.00 0.00 -1.43 0.00 0.00 32.58 28.35 3df4 s HIS 70 CO 0.00 -0.87 0.00 0.41 -2.00 0.00 0.00 174.74 172.28 3df4 n GLY 71 N -2.24 0.75 0.69 -1.38 0.00 -1.26 -1.40 105.19 100.36 3df4 n GLY 71 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3df4 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLN 72 N 7.95 0.76 -4.73 1.61 10.64 -1.26 -4.76 117.38 127.60 3df4 n GLN 72 Ca 0.00 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.88 3df4 n GLN 72 Cb 0.00 -1.28 -0.14 0.00 -0.86 0.00 0.00 30.24 27.96 3df4 n GLN 72 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3df4 s ARG 73 N -0.52 1.61 0.16 2.61 1.81 -0.49 -5.14 118.95 118.98 3df4 s ARG 73 Ca 0.00 -1.12 0.05 0.00 -1.72 0.00 0.00 55.73 52.94 3df4 s ARG 73 Cb 0.00 -1.84 -0.04 0.00 -0.45 0.00 0.00 34.95 32.63 3df4 s ARG 73 CO 0.00 0.46 0.10 -1.50 -0.68 0.00 0.00 175.30 173.68 3df4 s ILE 74 N -0.87 4.30 -0.26 1.52 1.10 -1.26 -3.92 121.20 121.81 3df4 s ILE 74 Ca 0.11 -1.14 -0.02 0.00 -0.51 0.00 0.00 60.65 59.08 3df4 s ILE 74 Cb -0.10 -3.18 0.12 0.00 0.15 0.00 0.00 42.46 39.45 3df4 s ILE 74 CO 0.03 -0.09 0.26 -0.83 -2.11 0.00 0.00 174.94 172.19 3df4 s GLY 75 N -3.01 -0.04 -0.22 1.50 0.00 0.10 -4.84 107.32 100.81 3df4 s GLY 75 Ca 0.30 -0.14 -0.10 0.00 0.00 0.00 0.00 44.72 44.78 3df4 s GLY 75 CO 0.22 2.41 0.14 -1.60 0.00 0.00 0.00 173.10 174.28 3df4 s ARG 76 N 2.33 4.12 0.00 2.90 3.00 -1.26 0.66 118.95 130.70 3df4 s ARG 76 Ca 0.09 -0.25 0.00 0.00 -1.00 0.00 0.00 55.73 54.56 3df4 s ARG 76 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 34.95 31.32 3df4 s ARG 76 CO -0.25 0.16 0.00 0.54 0.00 0.00 0.00 175.30 175.75 3df4 n ARG 77 N 3.95 0.00 -3.85 5.12 1.74 0.08 -4.99 116.66 118.72 3df4 n ARG 77 Ca -0.15 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.84 3df4 n ARG 77 Cb 0.52 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.92 3df4 n ARG 77 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3df4 s SER 78 N -1.62 -0.21 0.18 0.55 0.01 -1.26 -5.00 113.70 106.35 3df4 s SER 78 Ca 0.00 -0.65 0.05 0.00 1.31 0.00 0.00 55.95 56.66 3df4 s SER 78 Cb 0.00 0.62 -0.04 0.00 0.21 0.00 0.00 66.02 66.82 3df4 s SER 78 CO 0.00 -1.16 0.17 -1.81 0.41 0.00 0.00 173.24 170.85 3df4 s ASP 79 N -2.93 5.62 0.27 2.44 1.01 -1.26 -4.00 116.67 117.82 3df4 s ASP 79 Ca 0.14 -0.12 -0.18 0.00 0.71 0.00 0.00 52.55 53.09 3df4 s ASP 79 Cb -0.02 -1.49 0.01 0.00 1.01 0.00 0.00 42.92 42.43 3df4 s ASP 79 CO 0.03 0.04 0.64 -1.66 0.21 0.00 0.00 175.17 174.44 3df4 s TRP 80 N -1.84 -0.00 0.12 4.23 1.48 -1.22 -4.65 118.94 117.06 3df4 s TRP 80 Ca 0.32 -0.43 0.05 0.00 -1.06 0.00 0.00 56.10 54.98 3df4 s TRP 80 Cb -0.10 0.54 -0.04 0.00 -1.16 0.00 0.00 33.47 32.72 3df4 s TRP 80 CO 0.24 -1.16 0.08 0.21 -4.06 0.00 0.00 176.95 172.26 3df4 s LYS 81 N -3.93 2.78 0.09 3.25 2.47 -1.26 -0.87 119.74 122.28 3df4 s LYS 81 Ca 0.15 -0.82 0.03 0.00 -1.56 0.00 0.00 55.97 53.76 3df4 s LYS 81 Cb -0.04 -2.63 -0.04 0.00 -1.46 0.00 0.00 37.83 33.66 3df4 s LYS 81 CO 0.08 0.52 0.11 0.15 0.16 0.00 0.00 175.35 176.36 3df4 s LYS 82 N -2.69 2.96 0.00 4.03 1.02 0.25 -3.18 119.74 122.12 3df4 s LYS 82 Ca 0.29 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.59 3df4 s LYS 82 Cb -0.11 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 3df4 s LYS 82 CO 0.22 0.56 0.00 0.00 -0.92 0.00 0.00 175.35 175.20 3df4 n ALA 83 N 0.30 0.00 -2.69 5.17 0.00 -0.70 -3.59 120.51 119.00 3df4 n ALA 83 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 3df4 n ALA 83 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 3df4 n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3df4 n TYR 84 N -0.16 -2.79 -0.07 0.00 4.02 -0.81 -3.94 117.16 113.41 3df4 n TYR 84 Ca 0.00 1.11 -0.13 0.00 -0.01 0.00 0.00 57.90 58.87 3df4 n TYR 84 Cb 0.00 -3.68 -0.10 0.00 -0.02 0.00 0.00 39.34 35.53 3df4 n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3df4 h VAL 85 N 1.26 1.34 -2.92 -0.72 2.07 0.08 -1.45 116.25 115.91 3df4 h VAL 85 Ca 0.00 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.44 3df4 h VAL 85 Cb 0.89 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3df4 h VAL 85 CO 0.19 0.45 -0.58 0.35 0.02 0.00 0.00 177.57 178.01 3df4 n THR 86 N -4.61 -8.00 -4.73 2.57 -2.24 -1.26 -3.33 114.28 92.68 3df4 n THR 86 Ca -0.12 2.00 -0.27 0.00 -2.27 0.00 0.00 64.05 63.40 3df4 n THR 86 Cb 0.43 -3.82 -0.14 0.00 -2.10 0.00 0.00 70.33 64.70 3df4 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3df4 s LEU 87 N -0.59 2.16 0.00 3.22 1.43 -1.26 -1.44 118.68 122.20 3df4 s LEU 87 Ca 0.00 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 3df4 s LEU 87 Cb 0.00 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.16 3df4 s LEU 87 CO 0.00 0.19 0.00 0.29 0.23 0.00 0.00 176.35 177.06 3df4 n LYS 88 N 1.86 0.00 0.00 1.70 4.76 -1.26 -4.69 118.16 120.53 3df4 n LYS 88 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 3df4 n LYS 88 Cb 0.53 -0.17 0.00 0.00 -1.84 0.00 0.00 35.03 33.54 3df4 n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3df4 n GLU 89 N 0.00 -0.07 0.00 1.97 -0.58 -1.26 -4.56 120.64 116.13 3df4 n GLU 89 Ca 0.00 -0.71 0.08 0.00 -0.42 0.00 0.00 57.16 56.11 3df4 n GLU 89 Cb 0.00 -0.98 0.46 0.00 -0.57 0.00 0.00 31.44 30.34 3df4 n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3df4 n GLY 90 N -0.11 -0.59 3.55 0.62 0.00 -1.26 -4.66 105.19 102.74 3df4 n GLY 90 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3df4 n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3df4 s GLN 91 N -2.00 2.20 0.00 1.61 -0.21 -1.26 -4.51 119.66 115.49 3df4 s GLN 91 Ca 0.23 0.87 0.00 0.00 0.02 0.00 0.00 55.36 56.48 3df4 s GLN 91 Cb 0.11 -4.61 0.00 0.00 1.00 0.00 0.00 33.01 29.50 3df4 s GLN 91 CO 0.18 -3.34 0.00 0.09 -2.12 0.00 0.00 175.29 170.10 3df4 n ASN 92 N 15.33 0.00 0.00 5.90 5.03 -1.26 -5.16 115.26 135.10 3df4 n ASN 92 Ca 0.34 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.88 3df4 n ASN 92 Cb 0.51 0.00 0.50 0.00 -1.02 0.00 0.00 39.78 39.77 3df4 n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61