#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n GLY 7 N 0.00 0.57 3.48 -0.02 0.00 -1.26 -5.09 105.19 102.87 3df4 n GLY 7 Ca 0.00 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 3df4 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3df4 s SER 8 N -0.74 6.23 0.00 1.61 0.01 -1.26 -4.95 113.70 114.61 3df4 s SER 8 Ca 0.00 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.60 3df4 s SER 8 Cb 0.00 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.97 3df4 s SER 8 CO 0.00 -0.71 0.00 1.07 0.41 0.00 0.00 173.24 174.01 3df4 n THR 9 N 5.58 0.00 -0.65 1.44 5.66 -1.26 -5.18 114.28 119.87 3df4 n THR 9 Ca -0.06 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.02 3df4 n THR 9 Cb 0.47 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.21 3df4 n THR 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3df4 n ARG 10 N 0.00 -1.49 0.00 1.09 3.00 -1.26 -5.10 116.66 112.90 3df4 n ARG 10 Ca 0.00 1.20 0.00 0.00 -0.01 0.00 0.00 57.85 59.04 3df4 n ARG 10 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 32.46 30.71 3df4 n ARG 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3df4 n ASN 11 N -3.13 0.00 0.00 0.55 2.85 -1.26 -5.14 115.26 109.13 3df4 n ASN 11 Ca -0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 3df4 n ASN 11 Cb 0.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.33 3df4 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3df4 n GLY 12 N -0.20 -1.37 0.00 8.20 0.00 -1.26 -5.10 105.19 105.47 3df4 n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3df4 n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3df4 n ARG 13 N 0.00 0.00 0.00 1.61 3.00 -1.26 -5.09 116.66 114.92 3df4 n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3df4 n ARG 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3df4 n ARG 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3df4 n ASP 14 N 0.00 0.00 -3.72 6.15 8.00 -1.26 -4.87 116.55 120.85 3df4 n ASP 14 Ca 0.00 0.16 -0.24 0.00 0.71 0.00 0.00 54.79 55.42 3df4 n ASP 14 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 3df4 n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3df4 n SER 15 N -0.18 -3.43 -0.04 -2.24 7.64 -1.26 -4.85 113.62 109.26 3df4 n SER 15 Ca 0.00 -0.73 -0.01 0.00 1.01 0.00 0.00 58.87 59.14 3df4 n SER 15 Cb 0.00 -4.33 -0.01 0.00 -1.01 0.00 0.00 64.21 58.86 3df4 n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3df4 n GLU 16 N -4.52 -0.04 -3.21 1.43 -0.58 -1.26 -4.86 120.64 107.60 3df4 n GLU 16 Ca -0.13 0.46 -0.11 0.00 -0.42 0.00 0.00 57.16 56.96 3df4 n GLU 16 Cb 0.61 -0.69 0.01 0.00 -0.57 0.00 0.00 31.44 30.80 3df4 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3df4 n ALA 17 N -2.69 -2.30 -3.00 0.62 0.00 -1.26 -4.88 120.51 107.00 3df4 n ALA 17 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3df4 n ALA 17 Cb 0.02 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3df4 n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3df4 n LYS 18 N 0.74 0.00 -2.43 0.00 3.00 -1.26 -3.73 118.16 114.48 3df4 n LYS 18 Ca -0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.91 3df4 n LYS 18 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.49 3df4 n LYS 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3df4 s ARG 19 N -1.69 3.24 -0.47 1.64 3.00 -1.26 -0.85 118.95 122.56 3df4 s ARG 19 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 55.73 55.10 3df4 s ARG 19 Cb 0.00 -4.92 0.20 0.00 0.00 0.00 0.00 34.95 30.23 3df4 s ARG 19 CO 0.00 -2.42 2.31 1.28 0.00 0.00 0.00 175.30 176.47 3df4 n LEU 20 N 10.15 6.75 0.00 2.53 4.77 -1.23 -3.81 117.00 136.16 3df4 n LEU 20 Ca 0.25 -3.88 0.00 0.00 -0.03 0.00 0.00 56.01 52.35 3df4 n LEU 20 Cb 0.50 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 3df4 n LEU 20 CO 0.67 1.51 0.00 0.61 -1.33 0.00 0.00 177.39 178.84 3df4 n GLY 21 N 0.29 0.00 2.19 -0.72 0.00 -1.25 -3.78 105.19 101.93 3df4 n GLY 21 Ca 0.44 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 3df4 n GLY 21 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df4 n VAL 22 N 0.00 0.55 -0.79 1.61 0.24 -1.25 -4.53 118.33 114.16 3df4 n VAL 22 Ca 0.00 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3df4 n VAL 22 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3df4 n VAL 22 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3df4 n LYS 23 N 0.81 0.00 -1.50 7.34 -0.00 -1.26 -4.49 118.16 119.06 3df4 n LYS 23 Ca 0.12 0.00 -0.49 0.00 -0.00 0.00 0.00 58.31 57.94 3df4 n LYS 23 Cb 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.09 3df4 n LYS 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3df4 n ARG 24 N -0.06 0.58 -4.05 -1.58 3.00 -1.07 -4.44 116.66 109.06 3df4 n ARG 24 Ca 0.00 0.21 -0.10 0.00 -0.00 0.00 0.00 57.85 57.95 3df4 n ARG 24 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 30.90 3df4 n ARG 24 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 3df4 s PHE 25 N -0.60 0.59 0.56 -0.14 2.19 -1.26 -4.76 117.98 114.56 3df4 s PHE 25 Ca 0.70 -0.91 0.42 0.00 0.33 0.00 0.00 56.93 57.47 3df4 s PHE 25 Cb -0.92 0.02 1.59 0.00 -1.31 0.00 0.00 43.02 42.40 3df4 s PHE 25 CO 0.56 -0.94 1.67 0.78 1.83 0.00 0.00 175.22 179.12 3df4 h GLY 26 N 2.31 0.00 -6.50 13.12 0.00 -1.92 -3.40 103.07 106.67 3df4 h GLY 26 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.62 3df4 h GLY 26 CO 0.39 0.00 -0.90 0.61 0.00 0.00 0.00 176.54 176.65 3df4 n GLY 27 N -1.83 -1.17 3.63 4.60 0.00 -1.26 -4.34 105.19 104.82 3df4 n GLY 27 Ca 0.33 0.52 -0.29 0.00 0.00 0.00 0.00 46.02 46.57 3df4 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3df4 s GLU 28 N -5.25 -0.63 0.66 1.61 2.56 -1.26 -1.39 118.70 115.00 3df4 s GLU 28 Ca 0.16 0.12 0.12 0.00 0.00 0.00 0.00 54.97 55.37 3df4 s GLU 28 Cb -0.07 -1.65 0.62 0.00 2.00 0.00 0.00 34.13 35.02 3df4 s GLU 28 CO 0.88 -3.35 1.34 0.77 -0.56 0.00 0.00 175.26 174.34 3df4 h SER 29 N -2.33 0.00 -0.09 -1.70 0.02 -1.87 -3.30 113.55 104.28 3df4 h SER 29 Ca -0.49 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.48 3df4 h SER 29 Cb 1.31 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.70 3df4 h SER 29 CO 0.43 0.00 -0.08 0.55 -1.14 0.00 0.00 176.83 176.59 3df4 n VAL 30 N -2.67 0.00 -0.31 2.27 3.14 -1.04 -3.52 118.33 116.19 3df4 n VAL 30 Ca -0.00 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 3df4 n VAL 30 Cb 0.79 0.62 0.00 0.00 -1.06 0.00 0.00 33.84 34.18 3df4 n VAL 30 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3df4 n LEU 31 N 2.41 0.00 -0.07 6.55 4.77 -1.22 -4.87 117.00 124.56 3df4 n LEU 31 Ca 0.10 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 3df4 n LEU 31 Cb 0.67 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.71 3df4 n LEU 31 CO -0.12 0.00 -0.93 0.00 -1.33 0.00 0.00 177.39 175.01 3df4 n ALA 32 N -3.00 2.00 0.00 -1.18 0.00 -1.26 -4.21 120.51 112.86 3df4 n ALA 32 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3df4 n ALA 32 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3df4 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 33 N 2.10 0.63 0.00 0.00 0.00 -1.25 -4.43 105.19 102.24 3df4 n GLY 33 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3df4 n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3df4 n SER 34 N 0.37 0.00 -0.07 1.61 2.88 -1.26 -3.52 113.62 113.62 3df4 n SER 34 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3df4 n SER 34 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 3df4 n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3df4 n ILE 35 N 0.00 0.97 0.00 2.46 3.06 -0.03 0.13 119.36 125.96 3df4 n ILE 35 Ca 0.00 -0.54 0.00 0.00 -2.50 0.00 0.00 62.75 59.71 3df4 n ILE 35 Cb 0.00 -0.77 0.00 0.00 0.54 0.00 0.00 39.64 39.41 3df4 n ILE 35 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3df4 n ILE 36 N -2.66 0.00 -0.21 9.51 5.41 -1.24 -3.17 119.36 127.00 3df4 n ILE 36 Ca -0.25 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.22 3df4 n ILE 36 Cb 0.92 0.00 0.27 0.00 -0.71 0.00 0.00 39.64 40.12 3df4 n ILE 36 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3df4 n VAL 37 N 0.00 0.00 -2.68 1.39 0.31 -1.26 -3.46 118.33 112.64 3df4 n VAL 37 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3df4 n VAL 37 Cb 0.00 -0.90 -0.01 0.00 -0.91 0.00 0.00 33.84 32.02 3df4 n VAL 37 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3df4 n ARG 38 N -5.46 -2.63 -4.39 5.55 0.00 -1.26 -4.90 116.66 103.56 3df4 n ARG 38 Ca 0.13 0.34 -0.19 0.00 -0.00 0.00 0.00 57.85 58.12 3df4 n ARG 38 Cb 0.55 -4.92 -0.10 0.00 -0.00 0.00 0.00 32.46 27.99 3df4 n ARG 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3df4 s GLN 39 N -5.24 1.54 0.00 2.89 -0.44 -1.22 -4.99 119.66 112.19 3df4 s GLN 39 Ca 0.09 -1.84 0.00 0.00 -2.50 0.00 0.00 55.36 51.11 3df4 s GLN 39 Cb -0.05 -0.65 0.00 0.00 -1.64 0.00 0.00 33.01 30.67 3df4 s GLN 39 CO 0.11 -0.21 0.00 -2.13 0.50 0.00 0.00 175.29 173.56 3df4 n ARG 40 N -0.58 0.00 0.02 1.67 0.00 -1.26 -4.78 116.66 111.73 3df4 n ARG 40 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.81 3df4 n ARG 40 Cb 0.66 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 33.03 3df4 n ARG 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 3df4 h GLY 41 N 0.00 0.00 1.98 5.14 0.00 -1.99 -2.12 103.07 106.08 3df4 h GLY 41 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3df4 h GLY 41 CO 0.00 0.00 -0.37 -0.84 0.00 0.00 0.00 176.54 175.33 3df4 h THR 42 N 0.00 1.27 -1.26 4.70 2.02 -1.95 -3.33 112.91 114.35 3df4 h THR 42 Ca -0.18 -1.29 -0.11 0.00 0.77 0.00 0.00 66.41 65.61 3df4 h THR 42 Cb 1.66 1.68 -0.23 0.00 -1.74 0.00 0.00 68.15 69.52 3df4 h THR 42 CO 0.05 0.37 -0.48 -0.54 0.37 0.00 0.00 175.52 175.29 3df4 s LYS 43 N -4.20 0.66 -0.03 6.66 -0.14 -1.24 -4.81 119.74 116.63 3df4 s LYS 43 Ca -0.03 -0.07 -0.30 0.00 -1.36 0.00 0.00 55.97 54.21 3df4 s LYS 43 Cb 0.14 -0.05 -0.04 0.00 -1.68 0.00 0.00 37.83 36.20 3df4 s LYS 43 CO 0.73 -1.13 1.21 -0.06 -0.76 0.00 0.00 175.35 175.34 3df4 s PHE 44 N 2.16 3.22 0.33 3.18 0.08 -0.80 -4.38 117.98 121.77 3df4 s PHE 44 Ca 0.13 1.22 -0.29 0.00 0.12 0.00 0.00 56.93 58.11 3df4 s PHE 44 Cb -0.09 -3.43 -0.12 0.00 -0.57 0.00 0.00 43.02 38.82 3df4 s PHE 44 CO -0.15 -1.34 1.53 -2.39 -0.10 0.00 0.00 175.22 172.76 3df4 n HIS 45 N 5.00 2.84 -3.08 0.36 1.44 -1.26 -0.14 115.22 120.37 3df4 n HIS 45 Ca 0.11 0.35 0.00 0.00 -2.01 0.00 0.00 57.72 56.17 3df4 n HIS 45 Cb 0.46 -2.56 0.00 0.00 0.12 0.00 0.00 29.99 28.02 3df4 n HIS 45 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3df4 n ALA 46 N 1.38 0.00 -0.29 1.59 0.00 -1.08 -4.74 120.51 117.37 3df4 n ALA 46 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3df4 n ALA 46 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.82 3df4 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 47 N 0.00 -1.77 0.11 0.00 0.00 -1.14 -3.50 105.19 98.89 3df4 n GLY 47 Ca 0.00 -1.30 0.06 0.00 0.00 0.00 0.00 46.02 44.78 3df4 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df4 n ALA 48 N -0.00 0.84 -3.46 4.61 0.00 -1.26 -4.56 120.51 116.68 3df4 n ALA 48 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3df4 n ALA 48 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3df4 n ALA 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3df4 n ASN 49 N -1.91 1.93 0.00 0.00 6.94 -1.23 -4.63 115.26 116.37 3df4 n ASN 49 Ca -0.01 -0.50 0.00 0.00 -0.02 0.00 0.00 54.58 54.06 3df4 n ASN 49 Cb 0.14 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 3df4 n ASN 49 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3df4 n VAL 50 N -0.02 0.00 0.00 3.53 0.24 -1.25 -4.13 118.33 116.71 3df4 n VAL 50 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3df4 n VAL 50 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3df4 n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3df4 n GLY 51 N -0.79 0.93 4.01 7.63 0.00 -1.26 -2.02 105.19 113.67 3df4 n GLY 51 Ca 0.00 0.42 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 3df4 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df4 n GLY 53 N -1.39 -2.62 0.42 0.00 0.00 -1.23 -4.42 105.19 95.95 3df4 n GLY 53 Ca 0.06 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 3df4 n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3df4 h ARG 54 N 0.00 -0.17 -0.90 1.61 3.08 -1.92 1.12 114.38 117.20 3df4 h ARG 54 Ca -0.15 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3df4 h ARG 54 Cb 0.50 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3df4 h ARG 54 CO 0.09 -0.11 0.00 -0.40 -1.07 0.00 0.00 179.97 178.48 3df4 n ASP 55 N -5.35 1.04 0.00 7.04 5.75 -1.26 -4.82 116.55 118.95 3df4 n ASP 55 Ca 0.01 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 3df4 n ASP 55 Cb 0.32 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 3df4 n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3df4 n HIS 56 N 0.11 0.00 -1.03 2.11 8.25 0.39 -4.01 115.22 121.04 3df4 n HIS 56 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3df4 n HIS 56 Cb 0.24 -0.36 -0.10 0.00 1.12 0.00 0.00 29.99 30.89 3df4 n HIS 56 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3df4 n THR 57 N -0.96 0.00 -1.71 1.59 -1.04 -1.19 -4.08 114.28 106.89 3df4 n THR 57 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 3df4 n THR 57 Cb 0.00 -0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 68.10 3df4 n THR 57 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3df4 n LEU 58 N 6.48 3.79 0.00 -4.42 7.99 0.12 -3.49 117.00 127.47 3df4 n LEU 58 Ca 0.45 1.15 0.00 0.00 -0.01 0.00 0.00 56.01 57.60 3df4 n LEU 58 Cb -0.02 -1.52 0.00 0.00 -0.11 0.00 0.00 43.42 41.78 3df4 n LEU 58 CO 0.70 -0.15 0.00 0.33 -1.51 0.00 0.00 177.39 176.76 3df4 n PHE 59 N 2.00 -0.34 -2.64 -1.77 7.35 -0.86 -4.25 117.46 116.95 3df4 n PHE 59 Ca 0.10 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.76 3df4 n PHE 59 Cb 0.34 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.15 3df4 n PHE 59 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3df4 n ALA 60 N -3.00 -2.66 -0.45 3.13 0.00 -1.26 -4.41 120.51 111.85 3df4 n ALA 60 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 3df4 n ALA 60 Cb 0.00 -0.97 0.19 0.00 0.00 0.00 0.00 19.45 18.67 3df4 n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3df4 n LYS 61 N -0.45 -2.94 0.00 0.00 5.02 -1.26 -2.51 118.16 116.02 3df4 n LYS 61 Ca -0.27 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.15 3df4 n LYS 61 Cb 0.61 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3df4 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3df4 n ALA 62 N -4.80 -0.54 -1.40 7.82 0.00 -1.23 -4.64 120.51 115.71 3df4 n ALA 62 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.06 3df4 n ALA 62 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 3df4 n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3df4 n ASP 63 N 0.19 -1.31 0.00 0.00 8.00 -1.26 -4.85 116.55 117.33 3df4 n ASP 63 Ca 0.00 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.53 3df4 n ASP 63 Cb 0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 3df4 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3df4 n GLY 64 N 1.96 3.80 3.37 0.44 0.00 -0.48 -4.56 105.19 109.72 3df4 n GLY 64 Ca 0.14 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 3df4 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df4 n LYS 65 N -1.38 -1.01 -4.29 1.61 5.02 -1.07 -4.20 118.16 112.84 3df4 n LYS 65 Ca 0.00 -0.26 -0.32 0.00 -2.02 0.00 0.00 58.31 55.70 3df4 n LYS 65 Cb 0.00 -1.83 -0.09 0.00 -0.02 0.00 0.00 35.03 33.09 3df4 n LYS 65 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3df4 s VAL 66 N -2.33 4.04 -0.19 -0.18 1.01 -1.26 -1.72 120.40 119.76 3df4 s VAL 66 Ca 0.58 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 3df4 s VAL 66 Cb -0.17 -2.81 -0.08 0.00 0.00 0.00 0.00 36.38 33.32 3df4 s VAL 66 CO 0.66 0.34 -0.26 1.17 0.00 0.00 0.00 175.10 177.02 3df4 n LYS 67 N 1.31 0.42 -2.54 2.72 3.00 0.39 -2.59 118.16 120.87 3df4 n LYS 67 Ca -0.14 0.18 -0.06 0.00 -0.00 0.00 0.00 58.31 58.29 3df4 n LYS 67 Cb 0.53 -1.20 0.01 0.00 0.00 0.00 0.00 35.03 34.36 3df4 n LYS 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3df4 n PHE 68 N -3.93 -2.72 -2.41 5.64 3.72 -1.20 -4.84 117.46 111.72 3df4 n PHE 68 Ca -0.35 1.10 -0.15 0.00 -0.05 0.00 0.00 57.45 58.00 3df4 n PHE 68 Cb 0.72 -3.51 0.08 0.00 -0.94 0.00 0.00 39.48 35.83 3df4 n PHE 68 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3df4 n GLU 69 N -0.31 0.06 -2.72 -1.08 1.02 -0.16 -4.93 120.64 112.52 3df4 n GLU 69 Ca 0.09 -1.74 -0.08 0.00 -0.02 0.00 0.00 57.16 55.42 3df4 n GLU 69 Cb 0.34 -0.47 0.09 0.00 -0.02 0.00 0.00 31.44 31.38 3df4 n GLU 69 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3df4 n VAL 70 N -2.42 0.00 -4.39 2.62 3.14 -1.11 -4.17 118.33 112.00 3df4 n VAL 70 Ca 0.11 -1.32 -0.20 0.00 -2.96 0.00 0.00 64.34 59.97 3df4 n VAL 70 Cb 0.38 1.41 -0.10 0.00 -1.06 0.00 0.00 33.84 34.47 3df4 n VAL 70 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3df4 s LYS 71 N 0.30 1.47 0.00 1.45 3.01 -1.25 -4.98 119.74 119.74 3df4 s LYS 71 Ca 0.24 -1.73 0.00 0.00 -1.01 0.00 0.00 55.97 53.47 3df4 s LYS 71 Cb 0.28 -1.01 0.00 0.00 -1.01 0.00 0.00 37.83 36.09 3df4 s LYS 71 CO -0.11 0.02 0.00 0.41 0.51 0.00 0.00 175.35 176.18 3df4 n GLY 72 N -0.51 2.51 3.37 -3.33 0.00 -1.25 -4.71 105.19 101.27 3df4 n GLY 72 Ca -0.06 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 3df4 n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3df4 n PRO 73 N 1.20 0.15 -2.42 1.61 -0.02 -1.26 -2.04 135.00 132.21 3df4 n PRO 73 Ca 0.00 0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.43 3df4 n PRO 73 Cb 0.00 -1.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 3df4 n PRO 73 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3df4 n LYS 74 N -0.17 -2.17 0.00 -0.52 5.02 -1.26 -4.11 118.16 114.95 3df4 n LYS 74 Ca 0.08 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 3df4 n LYS 74 Cb 0.51 -5.23 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 3df4 n LYS 74 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3df4 n ASN 75 N -1.80 0.00 -2.02 4.39 4.05 -0.87 -4.90 115.26 114.11 3df4 n ASN 75 Ca -0.15 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.88 3df4 n ASN 75 Cb 0.61 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.62 3df4 n ASN 75 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3df4 n ARG 76 N 0.00 -5.33 0.00 1.20 1.74 -1.26 -3.94 116.66 109.07 3df4 n ARG 76 Ca 0.00 3.81 0.00 0.00 -0.77 0.00 0.00 57.85 60.89 3df4 n ARG 76 Cb 0.00 -4.12 0.00 0.00 -1.02 0.00 0.00 32.46 27.32 3df4 n ARG 76 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3df4 n LYS 77 N 1.82 0.00 -0.56 5.56 3.00 -1.25 -3.97 118.16 122.76 3df4 n LYS 77 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 3df4 n LYS 77 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 35.03 34.12 3df4 n LYS 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3df4 n PHE 78 N -0.56 -0.16 -4.76 5.64 3.72 -1.22 -2.77 117.46 117.36 3df4 n PHE 78 Ca 0.00 0.10 -0.33 0.00 -0.05 0.00 0.00 57.45 57.16 3df4 n PHE 78 Cb 0.00 -2.06 -0.12 0.00 -0.94 0.00 0.00 39.48 36.36 3df4 n PHE 78 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3df4 s ILE 79 N -0.02 3.36 0.12 4.37 1.01 0.79 -0.99 121.20 129.85 3df4 s ILE 79 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3df4 s ILE 79 Cb 0.00 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 3df4 s ILE 79 CO 0.00 0.59 -0.00 -0.44 0.00 0.00 0.00 174.94 175.09 3df4 s SER 80 N -0.66 0.76 -0.31 3.58 0.01 -1.26 -2.65 113.70 113.18 3df4 s SER 80 Ca 0.10 -1.12 -0.03 0.00 1.31 0.00 0.00 55.95 56.21 3df4 s SER 80 Cb -0.11 0.19 0.11 0.00 0.21 0.00 0.00 66.02 66.42 3df4 s SER 80 CO 0.01 -0.61 0.15 0.27 0.41 0.00 0.00 173.24 173.48 3df4 s ILE 81 N -3.83 -0.03 0.00 1.44 -4.36 -1.26 0.15 121.20 113.31 3df4 s ILE 81 Ca 0.18 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 3df4 s ILE 81 Cb 0.07 -1.01 0.00 0.00 1.25 0.00 0.00 42.46 42.77 3df4 s ILE 81 CO -0.01 -0.79 0.00 -1.84 0.24 0.00 0.00 174.94 172.54 3df4 n GLU 82 N 4.94 0.11 -3.75 0.37 0.28 -0.70 -3.98 120.64 117.91 3df4 n GLU 82 Ca -0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.63 3df4 n GLU 82 Cb 0.41 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.22 3df4 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3df4 s ALA 83 N -2.52 3.83 -1.71 -1.84 0.00 -1.26 -2.59 121.76 115.67 3df4 s ALA 83 Ca 0.00 -0.52 0.14 0.00 0.00 0.00 0.00 51.96 51.57 3df4 s ALA 83 Cb 0.00 -2.10 0.11 0.00 0.00 0.00 0.00 23.12 21.13 3df4 s ALA 83 CO 0.00 0.60 0.93 -0.85 0.00 0.00 0.00 175.76 176.45