#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n LEU 3 N 0.00 0.00 0.00 6.15 4.77 -1.26 -4.10 117.00 122.56 3df4 n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3df4 n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3df4 n LEU 3 CO 0.00 -0.38 0.00 0.59 -1.33 0.00 0.00 177.39 176.27 3df4 n ASN 4 N 0.00 0.00 -0.01 -1.43 5.03 -1.26 -4.06 115.26 113.53 3df4 n ASN 4 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3df4 n ASN 4 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 38.77 3df4 n ASN 4 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3df4 n THR 5 N 0.00 -0.02 -2.41 3.41 -2.24 -1.26 -4.10 114.28 107.67 3df4 n THR 5 Ca 0.00 0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 3df4 n THR 5 Cb 0.00 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 3df4 n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3df4 s LEU 6 N -7.98 4.21 0.32 3.22 2.34 -1.26 -5.03 118.68 114.49 3df4 s LEU 6 Ca -0.01 1.74 0.08 0.00 0.06 0.00 0.00 54.13 56.01 3df4 s LEU 6 Cb 0.01 -3.54 -0.04 0.00 -0.56 0.00 0.00 46.19 42.06 3df4 s LEU 6 CO 0.03 -0.73 0.14 -0.44 -1.06 0.00 0.00 176.35 174.28 3df4 s SER 7 N 1.92 4.81 1.35 1.48 0.01 -1.26 -5.09 113.70 116.92 3df4 s SER 7 Ca 0.56 -0.66 -0.19 0.00 1.31 0.00 0.00 55.95 56.97 3df4 s SER 7 Cb -0.23 -0.85 0.35 0.00 0.21 0.00 0.00 66.02 65.50 3df4 s SER 7 CO 0.17 -0.22 0.95 -2.84 0.41 0.00 0.00 173.24 171.71 3df4 s PRO 8 N -3.83 -2.35 0.23 12.44 0.02 -1.26 -5.01 135.00 135.25 3df4 s PRO 8 Ca 0.36 0.45 -0.04 0.00 0.02 0.00 0.00 61.00 61.79 3df4 s PRO 8 Cb -0.04 -1.42 0.06 0.00 0.02 0.00 0.00 34.50 33.12 3df4 s PRO 8 CO 0.23 -4.57 0.17 0.00 -0.33 0.00 0.00 177.00 172.50 3df4 n ALA 9 N -5.46 -0.75 -3.14 -1.55 0.00 -1.26 -4.90 120.51 103.44 3df4 n ALA 9 Ca 0.08 -0.28 -0.44 0.00 0.00 0.00 0.00 53.44 52.81 3df4 n ALA 9 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3df4 n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3df4 n GLU 10 N -2.37 4.09 0.00 0.00 4.07 -1.26 -4.30 120.64 120.87 3df4 n GLU 10 Ca 0.03 -4.52 0.00 0.00 -0.06 0.00 0.00 57.16 52.61 3df4 n GLU 10 Cb 0.10 -2.52 0.00 0.00 -0.06 0.00 0.00 31.44 28.96 3df4 n GLU 10 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3df4 n GLY 11 N 1.85 0.89 0.00 8.31 0.00 -1.26 -5.06 105.19 109.91 3df4 n GLY 11 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3df4 n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3df4 n SER 12 N 0.00 0.00 -4.63 1.61 7.64 -1.26 -4.18 113.62 112.80 3df4 n SER 12 Ca 0.00 0.78 -0.43 0.00 1.01 0.00 0.00 58.87 60.23 3df4 n SER 12 Cb 0.00 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 62.90 3df4 n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3df4 s LYS 13 N -2.11 3.78 -0.51 1.43 -0.14 -1.26 -4.90 119.74 116.03 3df4 s LYS 13 Ca 0.00 1.73 0.03 0.00 -1.36 0.00 0.00 55.97 56.37 3df4 s LYS 13 Cb 0.00 -4.06 0.44 0.00 -1.68 0.00 0.00 37.83 32.53 3df4 s LYS 13 CO 0.00 -1.32 1.58 1.63 -0.76 0.00 0.00 175.35 176.48 3df4 n LYS 14 N 7.71 3.17 0.00 1.68 4.76 -1.26 -5.03 118.16 129.18 3df4 n LYS 14 Ca 0.19 -3.83 0.00 0.00 -2.87 0.00 0.00 58.31 51.81 3df4 n LYS 14 Cb 0.45 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 3df4 n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3df4 n ALA 15 N -0.73 0.00 0.00 7.82 0.00 -1.26 -4.82 120.51 121.52 3df4 n ALA 15 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3df4 n ALA 15 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 3df4 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 16 N 0.00 3.87 3.39 0.00 0.00 -1.26 -5.12 105.19 106.08 3df4 n GLY 16 Ca 0.00 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 3df4 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3df4 s LYS 17 N -2.88 -2.04 0.38 1.61 -2.85 -1.26 -5.00 119.74 107.69 3df4 s LYS 17 Ca 0.00 0.42 0.00 0.00 -1.00 0.00 0.00 55.97 55.39 3df4 s LYS 17 Cb 0.00 -1.46 0.00 0.00 -2.06 0.00 0.00 37.83 34.31 3df4 s LYS 17 CO 0.00 -4.36 0.00 0.54 0.10 0.00 0.00 175.35 171.63 3df4 n ARG 18 N -5.31 0.00 -1.39 1.78 1.74 -1.26 -5.17 116.66 107.05 3df4 n ARG 18 Ca 0.08 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.21 3df4 n ARG 18 Cb 0.58 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.99 3df4 n ARG 18 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3df4 n LEU 19 N -3.45 -1.35 -4.00 0.55 4.32 -1.26 -4.80 117.00 107.01 3df4 n LEU 19 Ca 0.00 2.48 -0.32 0.00 -0.02 0.00 0.00 56.01 58.15 3df4 n LEU 19 Cb 0.00 -2.76 0.01 0.00 -1.62 0.00 0.00 43.42 39.05 3df4 n LEU 19 CO 0.00 -1.10 0.05 0.61 -1.22 0.00 0.00 177.39 175.73 3df4 n GLY 20 N -3.00 -0.47 2.28 -0.72 0.00 -0.43 -4.92 105.19 97.94 3df4 n GLY 20 Ca -0.03 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3df4 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df4 n ARG 21 N -4.58 1.09 -0.98 1.61 5.12 -1.26 -4.97 116.66 112.69 3df4 n ARG 21 Ca 0.03 -3.57 0.01 0.00 -1.93 0.00 0.00 57.85 52.40 3df4 n ARG 21 Cb 0.52 -1.51 -0.01 0.00 -1.16 0.00 0.00 32.46 30.31 3df4 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3df4 n GLY 22 N 1.43 -3.54 0.08 -0.13 0.00 -1.26 -3.91 105.19 97.86 3df4 n GLY 22 Ca 0.24 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 3df4 n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3df4 h ILE 23 N -0.03 0.92 -0.90 -0.61 5.03 -1.95 -2.95 117.51 117.02 3df4 h ILE 23 Ca -0.02 -0.01 0.24 0.00 -0.12 0.00 0.00 64.86 64.95 3df4 h ILE 23 Cb 0.64 0.87 -0.16 0.00 -3.03 0.00 0.00 36.82 35.15 3df4 h ILE 23 CO 0.01 0.01 0.08 1.23 -0.68 0.00 0.00 178.15 178.80 3df4 h GLY 24 N 0.04 1.18 -1.46 5.37 0.00 -1.99 0.19 103.07 106.41 3df4 h GLY 24 Ca 0.06 0.09 0.44 0.00 0.00 0.00 0.00 47.33 47.91 3df4 h GLY 24 CO -0.09 -0.42 1.31 0.23 0.00 0.00 0.00 176.54 177.56 3df4 h SER 25 N 0.08 0.00 0.00 0.19 0.87 -1.63 -3.43 113.55 109.63 3df4 h SER 25 Ca 0.54 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 3df4 h SER 25 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 3df4 h SER 25 CO -0.79 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.12 3df4 n GLY 26 N -1.82 0.67 2.31 5.77 0.00 0.06 -4.91 105.19 107.27 3df4 n GLY 26 Ca 0.34 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.18 3df4 n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3df4 n LEU 27 N 0.00 -0.07 0.00 0.99 4.32 -1.26 -5.05 117.00 115.93 3df4 n LEU 27 Ca 0.00 -4.62 0.00 0.00 -0.02 0.00 0.00 56.01 51.37 3df4 n LEU 27 Cb 0.00 0.74 0.00 0.00 -1.62 0.00 0.00 43.42 42.54 3df4 n LEU 27 CO 0.00 2.18 0.00 0.61 -1.22 0.00 0.00 177.39 178.96 3df4 n GLY 28 N 0.66 -2.51 0.00 -0.72 0.00 -1.25 -1.43 105.19 99.94 3df4 n GLY 28 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3df4 n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3df4 n LYS 29 N 0.00 1.40 -0.51 1.61 2.85 -1.26 -1.31 118.16 120.94 3df4 n LYS 29 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3df4 n LYS 29 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3df4 n LYS 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3df4 n THR 30 N -0.55 0.00 -2.90 0.58 -2.24 -1.26 -3.22 114.28 104.69 3df4 n THR 30 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3df4 n THR 30 Cb 0.00 -0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 67.70 3df4 n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df4 n GLY 31 N 0.31 -0.41 3.06 3.38 0.00 -1.25 0.52 105.19 110.80 3df4 n GLY 31 Ca 0.00 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 3df4 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 32 N -0.62 -0.50 0.55 -0.02 0.00 -1.20 -4.83 105.19 98.57 3df4 n GLY 32 Ca 0.04 0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.17 3df4 n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3df4 n ARG 33 N -3.56 0.51 0.00 1.61 1.85 0.18 -5.13 116.66 112.13 3df4 n ARG 33 Ca -0.07 -1.82 0.00 0.00 -1.00 0.00 0.00 57.85 54.96 3df4 n ARG 33 Cb 0.58 -0.81 0.00 0.00 -1.05 0.00 0.00 32.46 31.18 3df4 n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3df4 n GLY 34 N -0.43 0.01 3.23 2.89 0.00 -1.24 -4.73 105.19 104.92 3df4 n GLY 34 Ca 0.07 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 3df4 n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3df4 s HIS 35 N 0.00 2.20 0.00 1.61 3.76 -1.26 -4.78 115.29 116.83 3df4 s HIS 35 Ca 0.00 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 3df4 s HIS 35 Cb 0.00 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.24 3df4 s HIS 35 CO 0.00 -0.18 0.00 1.63 -0.85 0.00 0.00 174.74 175.34 3df4 n LYS 36 N 2.94 0.00 0.00 1.40 5.02 -1.26 -4.99 118.16 121.27 3df4 n LYS 36 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 3df4 n LYS 36 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 3df4 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df4 n GLY 37 N 0.00 -0.99 0.23 0.72 0.00 -1.26 -4.24 105.19 99.64 3df4 n GLY 37 Ca 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 46.02 44.42 3df4 n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3df4 h GLN 38 N 0.00 0.24 0.00 1.61 4.15 -1.98 -2.29 115.11 116.84 3df4 h GLN 38 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3df4 h GLN 38 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3df4 h GLN 38 CO 0.00 0.45 0.14 0.87 -1.93 0.00 0.00 178.83 178.36 3df4 h LYS 39 N 0.22 0.00 -6.79 1.69 1.79 -1.84 -3.21 116.57 108.43 3df4 h LYS 39 Ca 0.04 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.05 3df4 h LYS 39 Cb 0.50 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.20 3df4 h LYS 39 CO 0.03 0.00 -0.05 0.45 -1.08 0.00 0.00 179.45 178.80 3df4 s SER 40 N -4.74 5.02 0.27 0.86 0.15 -0.86 -4.75 113.70 109.65 3df4 s SER 40 Ca -0.04 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.18 3df4 s SER 40 Cb 0.11 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 3df4 s SER 40 CO 0.33 -1.34 0.00 0.54 1.20 0.00 0.00 173.24 173.97 3df4 n ARG 41 N -2.37 -2.41 -1.30 5.44 1.74 -1.26 -4.18 116.66 112.33 3df4 n ARG 41 Ca 0.12 1.79 -0.36 0.00 -0.77 0.00 0.00 57.85 58.63 3df4 n ARG 41 Cb 0.60 -2.01 0.07 0.00 -1.02 0.00 0.00 32.46 30.10 3df4 n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3df4 n SER 42 N -0.86 -0.96 0.00 0.55 3.41 -1.26 -0.60 113.62 113.90 3df4 n SER 42 Ca 0.00 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 3df4 n SER 42 Cb 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 3df4 n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3df4 n GLY 43 N 1.60 1.05 3.68 5.00 0.00 -1.26 -4.90 105.19 110.36 3df4 n GLY 43 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3df4 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3df4 s GLY 44 N -1.36 1.47 0.00 -0.02 0.00 0.23 -4.90 107.32 102.75 3df4 s GLY 44 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 44.72 45.99 3df4 s GLY 44 CO 0.00 3.06 0.00 0.61 0.00 0.00 0.00 173.10 176.77 3df4 n GLY 45 N 4.15 2.36 3.71 0.20 0.00 -1.21 -4.70 105.19 109.70 3df4 n GLY 45 Ca 0.17 0.32 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 3df4 n GLY 45 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df4 n VAL 46 N 0.00 3.32 -0.60 1.61 0.24 -1.26 -4.95 118.33 116.69 3df4 n VAL 46 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.50 3df4 n VAL 46 Cb 0.00 -1.58 0.20 0.00 -1.47 0.00 0.00 33.84 31.00 3df4 n VAL 46 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3df4 n ARG 47 N -0.60 -1.24 -1.73 7.34 1.85 -1.26 -4.91 116.66 116.11 3df4 n ARG 47 Ca 0.09 -0.31 -0.42 0.00 -1.00 0.00 0.00 57.85 56.22 3df4 n ARG 47 Cb 0.43 -2.30 -0.00 0.00 -1.05 0.00 0.00 32.46 29.54 3df4 n ARG 47 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3df4 n ARG 48 N -4.53 2.28 -3.94 2.89 1.74 -1.26 -3.31 116.66 110.53 3df4 n ARG 48 Ca 0.09 0.80 -0.38 0.00 -0.77 0.00 0.00 57.85 57.59 3df4 n ARG 48 Cb 0.53 -2.46 0.02 0.00 -1.02 0.00 0.00 32.46 29.52 3df4 n ARG 48 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3df4 n GLY 49 N 0.66 -1.01 2.42 -0.13 0.00 -1.26 -4.91 105.19 100.97 3df4 n GLY 49 Ca 0.04 0.43 -0.27 0.00 0.00 0.00 0.00 46.02 46.22 3df4 n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3df4 n PHE 50 N -4.19 3.27 -1.54 1.61 -0.00 -1.21 -4.89 117.46 110.52 3df4 n PHE 50 Ca -0.17 -4.09 -0.22 0.00 -0.00 0.00 0.00 57.45 52.97 3df4 n PHE 50 Cb 0.60 -0.53 -0.11 0.00 -0.00 0.00 0.00 39.48 39.43 3df4 n PHE 50 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3df4 n GLU 51 N 0.83 0.43 0.00 -4.13 1.02 -1.26 -4.44 120.64 113.09 3df4 n GLU 51 Ca 0.29 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 3df4 n GLU 51 Cb 0.42 -2.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.11 3df4 n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3df4 n GLY 52 N 6.30 0.25 0.00 0.62 0.00 -1.26 -2.52 105.19 108.58 3df4 n GLY 52 Ca 0.53 0.53 0.00 0.00 0.00 0.00 0.00 46.02 47.08 3df4 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 53 N 0.00 0.00 3.20 -0.02 0.00 -1.26 -5.14 105.19 101.97 3df4 n GLY 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3df4 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLN 54 N -0.48 -1.51 -1.69 1.61 10.64 -1.05 -4.75 117.38 120.15 3df4 n GLN 54 Ca 0.00 -0.43 -0.42 0.00 -1.83 0.00 0.00 57.00 54.32 3df4 n GLN 54 Cb 0.00 -1.57 -0.03 0.00 -0.86 0.00 0.00 30.24 27.78 3df4 n GLN 54 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 3df4 s MET 55 N -3.25 2.98 1.08 2.61 -2.45 -1.26 -4.72 119.30 114.28 3df4 s MET 55 Ca 0.51 1.75 -0.18 0.00 -1.25 0.00 0.00 55.69 56.52 3df4 s MET 55 Cb -0.08 -4.37 0.07 0.00 1.25 0.00 0.00 34.83 31.70 3df4 s MET 55 CO 0.62 -2.28 -0.03 -2.30 1.05 0.00 0.00 175.02 172.08 3df4 n PRO 56 N 8.76 -1.19 -0.07 4.11 -0.02 -1.26 -4.47 135.00 140.86 3df4 n PRO 56 Ca 0.29 -0.33 -0.10 0.00 -2.02 0.00 0.00 63.50 61.34 3df4 n PRO 56 Cb 0.47 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.25 3df4 n PRO 56 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3df4 h LEU 57 N -1.87 0.30 -1.66 2.45 5.85 -1.92 -0.41 115.31 118.05 3df4 h LEU 57 Ca -0.50 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3df4 h LEU 57 Cb 1.35 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3df4 h LEU 57 CO 0.36 0.30 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 3df4 n TYR 58 N -4.86 0.00 0.00 1.25 0.18 -1.26 -2.66 117.16 109.81 3df4 n TYR 58 Ca -0.03 -0.26 0.00 0.00 1.88 0.00 0.00 57.90 59.50 3df4 n TYR 58 Cb 0.07 -0.17 0.00 0.00 -0.38 0.00 0.00 39.34 38.86 3df4 n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3df4 n ARG 59 N 0.44 0.00 0.02 -3.48 5.12 -0.55 -4.84 116.66 113.38 3df4 n ARG 59 Ca 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 3df4 n ARG 59 Cb 0.32 -0.57 -0.00 0.00 -1.16 0.00 0.00 32.46 31.05 3df4 n ARG 59 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3df4 h ARG 60 N 0.00 0.54 -6.40 5.56 3.08 -0.94 -3.44 114.38 112.79 3df4 h ARG 60 Ca 0.00 -0.43 -0.54 0.00 0.07 0.00 0.00 59.98 59.08 3df4 h ARG 60 Cb 0.30 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3df4 h ARG 60 CO 0.00 1.06 0.35 -0.51 -1.07 0.00 0.00 179.97 179.80 3df4 s LEU 61 N -8.14 4.38 0.00 3.04 1.02 -1.09 -5.05 118.68 112.84 3df4 s LEU 61 Ca -0.07 1.64 -0.14 0.00 0.02 0.00 0.00 54.13 55.57 3df4 s LEU 61 Cb 0.10 -3.53 0.22 0.00 0.02 0.00 0.00 46.19 43.00 3df4 s LEU 61 CO 0.86 -0.23 0.50 -2.65 0.02 0.00 0.00 176.35 174.85 3df4 n PRO 62 N 3.78 -2.81 -4.58 1.29 -0.02 -1.26 -4.92 135.00 126.48 3df4 n PRO 62 Ca 0.05 -0.84 -0.22 0.00 -2.02 0.00 0.00 63.50 60.47 3df4 n PRO 62 Cb 0.51 -1.25 -0.15 0.00 -0.02 0.00 0.00 33.50 32.58 3df4 n PRO 62 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3df4 s LYS 63 N -3.85 1.20 -0.55 -0.52 -2.85 -1.26 -5.04 119.74 106.87 3df4 s LYS 63 Ca 0.39 -0.44 0.04 0.00 -1.00 0.00 0.00 55.97 54.95 3df4 s LYS 63 Cb -0.07 -1.11 0.15 0.00 -2.06 0.00 0.00 37.83 34.74 3df4 s LYS 63 CO 0.32 0.21 0.36 -0.59 0.10 0.00 0.00 175.35 175.76 3df4 s PHE 64 N -0.03 2.64 0.00 1.78 -0.12 -1.26 -5.10 117.98 115.89 3df4 s PHE 64 Ca -0.00 -2.89 0.00 0.00 -0.05 0.00 0.00 56.93 53.99 3df4 s PHE 64 Cb -0.08 -2.18 0.00 0.00 -0.63 0.00 0.00 43.02 40.13 3df4 s PHE 64 CO 0.00 -0.69 0.00 0.41 -0.05 0.00 0.00 175.22 174.90 3df4 n GLY 65 N 2.71 -0.25 0.25 1.99 0.00 -1.26 -5.05 105.19 103.58 3df4 n GLY 65 Ca 0.16 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3df4 n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3df4 n PHE 66 N 0.00 0.00 -5.10 1.61 7.35 -1.26 -5.09 117.46 114.97 3df4 n PHE 66 Ca 0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 3df4 n PHE 66 Cb 0.00 -1.34 -0.16 0.00 0.35 0.00 0.00 39.48 38.33 3df4 n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3df4 s THR 67 N -0.23 1.78 0.18 -2.13 -4.23 -1.26 -5.06 115.64 104.69 3df4 s THR 67 Ca 0.00 -0.95 -0.24 0.00 -1.18 0.00 0.00 61.69 59.33 3df4 s THR 67 Cb 0.00 -1.49 0.07 0.00 1.34 0.00 0.00 72.50 72.43 3df4 s THR 67 CO 0.00 0.50 1.57 0.77 -0.54 0.00 0.00 174.62 176.93 3df4 h SER 68 N 5.76 -1.36 -0.29 3.99 4.64 -2.01 -3.45 113.55 120.83 3df4 h SER 68 Ca -0.38 0.24 -0.13 0.00 -0.47 0.00 0.00 61.79 61.05 3df4 h SER 68 Cb 1.15 0.64 -0.05 0.00 -0.31 0.00 0.00 62.40 63.82 3df4 h SER 68 CO 0.47 -0.32 -0.11 -1.14 -0.87 0.00 0.00 176.83 174.86 3df4 n ARG 69 N -5.42 -1.31 0.08 4.77 0.00 -1.26 -4.61 116.66 108.92 3df4 n ARG 69 Ca 0.03 0.64 0.00 0.00 -0.00 0.00 0.00 57.85 58.51 3df4 n ARG 69 Cb 0.35 -4.76 0.00 0.00 0.00 0.00 0.00 32.46 28.05 3df4 n ARG 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3df4 n LYS 70 N -1.07 0.00 0.17 -0.14 4.81 -1.26 -4.82 118.16 115.84 3df4 n LYS 70 Ca -0.06 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.55 3df4 n LYS 70 Cb 0.42 0.00 0.67 0.00 0.02 0.00 0.00 35.03 36.14 3df4 n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df4 h ALA 71 N 0.00 1.92 0.00 3.14 0.00 -1.94 0.93 119.26 123.32 3df4 h ALA 71 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3df4 h ALA 71 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3df4 h ALA 71 CO 0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 179.25 178.47 3df4 h ALA 72 N 1.18 1.56 -0.02 0.00 0.00 -1.92 0.96 119.26 121.02 3df4 h ALA 72 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3df4 h ALA 72 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3df4 h ALA 72 CO -0.00 0.10 -0.16 0.44 0.00 0.00 0.00 179.25 179.63 3df4 n ILE 73 N -4.00 0.00 -3.30 0.00 -5.35 0.32 -4.89 119.36 102.15 3df4 n ILE 73 Ca -0.03 -0.31 -0.38 0.00 -0.27 0.00 0.00 62.75 61.76 3df4 n ILE 73 Cb 0.17 0.98 -0.06 0.00 -1.74 0.00 0.00 39.64 38.99 3df4 n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3df4 s THR 74 N -2.21 4.97 0.00 7.28 2.01 0.33 -2.02 115.64 126.01 3df4 s THR 74 Ca 0.28 1.10 0.00 0.00 0.31 0.00 0.00 61.69 63.37 3df4 s THR 74 Cb 0.20 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.85 3df4 s THR 74 CO 0.41 0.44 0.00 0.00 -0.69 0.00 0.00 174.62 174.79 3df4 n ALA 75 N 2.65 0.00 -3.09 7.40 0.00 0.35 -4.93 120.51 122.88 3df4 n ALA 75 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 3df4 n ALA 75 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 3df4 n ALA 75 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3df4 n GLU 76 N -0.97 0.66 -1.42 0.00 2.13 -1.26 -4.11 120.64 115.67 3df4 n GLU 76 Ca 0.00 -2.83 -0.38 0.00 0.66 0.00 0.00 57.16 54.60 3df4 n GLU 76 Cb 0.00 -1.33 0.03 0.00 0.27 0.00 0.00 31.44 30.41 3df4 n GLU 76 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3df4 n ILE 77 N 1.67 1.75 -4.40 6.31 5.41 -0.90 -4.96 119.36 124.24 3df4 n ILE 77 Ca 0.19 -0.50 -0.24 0.00 1.00 0.00 0.00 62.75 63.20 3df4 n ILE 77 Cb 0.55 -0.53 -0.13 0.00 -0.71 0.00 0.00 39.64 38.82 3df4 n ILE 77 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3df4 s ARG 78 N -1.83 1.17 0.16 0.38 3.52 -1.21 -4.17 118.95 116.97 3df4 s ARG 78 Ca 0.66 -1.04 -0.13 0.00 -0.13 0.00 0.00 55.73 55.09 3df4 s ARG 78 Cb -0.46 -1.35 0.04 0.00 -1.56 0.00 0.00 34.95 31.63 3df4 s ARG 78 CO 0.57 0.32 1.69 -0.07 -0.81 0.00 0.00 175.30 177.00 3df4 h LEU 79 N 4.42 0.76 -0.96 -0.88 3.38 -1.68 -2.68 115.31 117.68 3df4 h LEU 79 Ca -0.44 -0.20 0.24 0.00 0.09 0.00 0.00 57.88 57.57 3df4 h LEU 79 Cb 1.17 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.60 3df4 h LEU 79 CO 0.41 0.76 0.51 0.77 0.09 0.00 0.00 178.44 180.99 3df4 h SER 80 N 0.72 0.52 0.00 -0.43 4.64 -1.89 -3.35 113.55 113.76 3df4 h SER 80 Ca 0.17 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3df4 h SER 80 Cb 0.27 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3df4 h SER 80 CO -0.01 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.46 3df4 n ASP 81 N -4.97 0.00 0.00 4.97 8.00 -1.01 -4.61 116.55 118.93 3df4 n ASP 81 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.76 3df4 n ASP 81 Cb 0.74 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 3df4 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3df4 n LEU 82 N 0.00 0.00 0.31 0.64 4.77 -1.22 -2.87 117.00 118.62 3df4 n LEU 82 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 3df4 n LEU 82 Cb 0.00 0.00 0.97 0.00 -2.33 0.00 0.00 43.42 42.06 3df4 n LEU 82 CO 0.00 0.00 1.16 0.00 -1.33 0.00 0.00 177.39 177.22 3df4 h ALA 83 N -0.92 1.32 0.00 -1.18 0.00 -1.83 0.12 119.26 116.77 3df4 h ALA 83 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3df4 h ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3df4 h ALA 83 CO 0.00 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.67 3df4 n LYS 84 N -3.16 0.70 -0.82 0.00 5.02 -1.14 -3.21 118.16 115.56 3df4 n LYS 84 Ca -0.01 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.24 3df4 n LYS 84 Cb 0.26 -1.03 0.26 0.00 -0.02 0.00 0.00 35.03 34.49 3df4 n LYS 84 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3df4 n VAL 85 N -0.44 2.41 -3.24 -0.18 3.14 0.41 -4.96 118.33 115.48 3df4 n VAL 85 Ca 0.00 -1.27 -0.24 0.00 -2.96 0.00 0.00 64.34 59.87 3df4 n VAL 85 Cb 0.02 -0.42 0.02 0.00 -1.06 0.00 0.00 33.84 32.40 3df4 n VAL 85 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3df4 n GLU 86 N 0.03 -1.97 0.00 1.45 4.07 -1.20 -4.77 120.64 118.25 3df4 n GLU 86 Ca 0.31 1.63 0.00 0.00 -0.06 0.00 0.00 57.16 59.05 3df4 n GLU 86 Cb 1.17 -3.14 0.00 0.00 -0.06 0.00 0.00 31.44 29.40 3df4 n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3df4 n GLY 87 N 0.01 -0.98 0.00 8.31 0.00 -1.26 -5.06 105.19 106.21 3df4 n GLY 87 Ca -0.01 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3df4 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 88 N 0.00 1.61 2.76 -0.02 0.00 -1.26 -4.77 105.19 103.50 3df4 n GLY 88 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3df4 n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3df4 n VAL 89 N 0.00 -0.87 -2.67 1.61 3.14 -1.24 -4.77 118.33 113.53 3df4 n VAL 89 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 3df4 n VAL 89 Cb 0.00 -2.23 -0.01 0.00 -1.06 0.00 0.00 33.84 30.54 3df4 n VAL 89 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3df4 s VAL 90 N 0.00 4.27 1.14 1.55 1.01 0.23 -4.82 120.40 123.79 3df4 s VAL 90 Ca 0.00 -1.71 -0.19 0.00 0.00 0.00 0.00 61.98 60.08 3df4 s VAL 90 Cb 0.00 -5.08 0.28 0.00 0.00 0.00 0.00 36.38 31.58 3df4 s VAL 90 CO 0.00 -1.89 1.12 -0.67 0.00 0.00 0.00 175.10 173.66 3df4 n ASP 91 N 7.91 -1.53 0.51 3.32 -0.08 -1.26 -0.09 116.55 125.32 3df4 n ASP 91 Ca 0.41 -1.23 -0.20 0.00 -1.51 0.00 0.00 54.79 52.26 3df4 n ASP 91 Cb 0.47 -0.98 -0.09 0.00 2.34 0.00 0.00 41.12 42.85 3df4 n ASP 91 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3df4 h LEU 92 N 0.00 -1.10 0.00 -2.67 3.38 -1.71 -3.40 115.31 109.81 3df4 h LEU 92 Ca -0.41 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3df4 h LEU 92 Cb 1.21 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.24 3df4 h LEU 92 CO 0.27 -0.78 0.00 0.59 0.09 0.00 0.00 178.44 178.61 3df4 n ASN 93 N -5.48 0.00 0.00 -0.43 3.02 -1.26 -4.50 115.26 106.61 3df4 n ASN 93 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 3df4 n ASN 93 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 3df4 n ASN 93 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3df4 n THR 94 N 0.00 0.00 -0.32 3.41 -2.24 -1.26 0.15 114.28 114.02 3df4 n THR 94 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 3df4 n THR 94 Cb 0.00 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 68.54 3df4 n THR 94 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3df4 h LEU 95 N 0.00 0.79 -1.50 3.22 4.07 -1.80 0.79 115.31 120.87 3df4 h LEU 95 Ca 0.00 0.05 0.15 0.00 0.08 0.00 0.00 57.88 58.17 3df4 h LEU 95 Cb 0.00 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.58 3df4 h LEU 95 CO 0.00 0.38 0.53 0.11 -1.08 0.00 0.00 178.44 178.39 3df4 h LYS 96 N 0.82 0.47 -0.80 1.13 1.57 0.11 1.01 116.57 120.89 3df4 h LYS 96 Ca 0.49 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 59.11 3df4 h LYS 96 Cb 0.67 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 3df4 h LYS 96 CO -0.26 0.31 0.18 0.00 -0.57 0.00 0.00 179.45 179.11 3df4 n ALA 97 N -2.50 4.00 -2.52 3.86 0.00 0.27 -3.97 120.51 119.65 3df4 n ALA 97 Ca 0.16 -1.69 0.00 0.00 0.00 0.00 0.00 53.44 51.91 3df4 n ALA 97 Cb 0.53 -1.18 0.05 0.00 0.00 0.00 0.00 19.45 18.85 3df4 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 n ALA 98 N 0.04 2.79 -3.69 0.00 0.00 0.35 -4.99 120.51 115.00 3df4 n ALA 98 Ca 0.29 -2.72 -0.20 0.00 0.00 0.00 0.00 53.44 50.82 3df4 n ALA 98 Cb 1.11 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 3df4 n ALA 98 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3df4 n ASN 99 N -0.19 -0.98 0.00 0.00 0.23 -1.18 -4.71 115.26 108.43 3df4 n ASN 99 Ca 0.11 -0.64 0.00 0.00 -0.53 0.00 0.00 54.58 53.52 3df4 n ASN 99 Cb 0.95 -0.77 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 3df4 n ASN 99 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3df4 n ILE 100 N -2.89 0.00 0.01 1.53 3.06 -1.21 -5.00 119.36 114.87 3df4 n ILE 100 Ca -0.10 -0.01 -0.00 0.00 -2.50 0.00 0.00 62.75 60.14 3df4 n ILE 100 Cb 0.30 0.35 -0.00 0.00 0.54 0.00 0.00 39.64 40.83 3df4 n ILE 100 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3df4 n ILE 101 N -0.08 0.34 0.00 9.51 2.08 -1.25 -4.91 119.36 125.05 3df4 n ILE 101 Ca 0.00 0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.44 3df4 n ILE 101 Cb 0.00 -1.19 0.00 0.00 -0.75 0.00 0.00 39.64 37.70 3df4 n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3df4 n GLY 102 N 3.40 4.28 0.13 7.39 0.00 -1.26 -4.84 105.19 114.28 3df4 n GLY 102 Ca -0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 3df4 n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3df4 h ILE 103 N 0.00 0.89 0.00 -0.61 2.04 -1.98 -2.18 117.51 115.67 3df4 h ILE 103 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3df4 h ILE 103 Cb 0.00 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3df4 h ILE 103 CO 0.00 0.03 0.00 1.56 0.00 0.00 0.00 178.15 179.74 3df4 h GLN 104 N 0.17 0.00 -7.21 2.37 1.08 -1.95 -3.44 115.11 106.13 3df4 h GLN 104 Ca 0.12 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.79 3df4 h GLN 104 Cb 0.11 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 27.70 3df4 h GLN 104 CO -0.15 0.00 0.35 0.42 -0.95 0.00 0.00 178.83 178.50 3df4 s ILE 105 N -3.60 2.33 0.00 2.54 -1.09 -0.82 -4.89 121.20 115.67 3df4 s ILE 105 Ca -0.01 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 3df4 s ILE 105 Cb 0.08 -2.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.37 3df4 s ILE 105 CO 0.32 -0.10 0.00 -0.62 -1.23 0.00 0.00 174.94 173.31 3df4 n GLU 106 N -3.08 0.00 -3.75 2.79 1.02 -0.86 -5.03 120.64 111.73 3df4 n GLU 106 Ca 0.13 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.13 3df4 n GLU 106 Cb 0.51 -0.20 -0.09 0.00 -0.02 0.00 0.00 31.44 31.64 3df4 n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3df4 s PHE 107 N 0.00 -0.27 -0.19 -0.32 0.08 -1.24 -5.02 117.98 111.02 3df4 s PHE 107 Ca 0.00 0.53 -0.31 0.00 0.12 0.00 0.00 56.93 57.28 3df4 s PHE 107 Cb 0.00 0.12 0.15 0.00 -0.57 0.00 0.00 43.02 42.72 3df4 s PHE 107 CO 0.00 -0.34 1.13 0.00 -0.10 0.00 0.00 175.22 175.91 3df4 s ALA 108 N -0.84 -2.00 -0.05 5.36 0.00 -1.26 0.13 121.76 123.11 3df4 s ALA 108 Ca -0.09 1.63 0.06 0.00 0.00 0.00 0.00 51.96 53.56 3df4 s ALA 108 Cb -0.04 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 3df4 s ALA 108 CO 0.03 -0.37 -0.22 0.15 0.00 0.00 0.00 175.76 175.36 3df4 s LYS 109 N -1.46 2.21 0.17 0.00 1.02 -1.26 -3.37 119.74 117.06 3df4 s LYS 109 Ca 0.04 -0.79 -0.22 0.00 0.02 0.00 0.00 55.97 55.02 3df4 s LYS 109 Cb -0.01 -1.91 0.09 0.00 -0.52 0.00 0.00 37.83 35.48 3df4 s LYS 109 CO -0.03 0.34 1.60 0.28 -0.92 0.00 0.00 175.35 176.62 3df4 h VAL 110 N 5.08 0.23 -3.36 3.17 2.07 -1.74 -2.40 116.25 119.30 3df4 h VAL 110 Ca -0.33 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.53 3df4 h VAL 110 Cb 1.17 0.23 -0.17 0.00 -1.52 0.00 0.00 31.29 31.01 3df4 h VAL 110 CO 0.47 0.00 -1.11 -0.38 0.02 0.00 0.00 177.57 176.57 3df4 n ILE 111 N -5.42 -0.65 -1.22 4.57 2.08 -1.26 -3.35 119.36 114.11 3df4 n ILE 111 Ca 0.02 0.78 -0.11 0.00 0.56 0.00 0.00 62.75 64.00 3df4 n ILE 111 Cb 0.34 -1.24 0.08 0.00 -0.75 0.00 0.00 39.64 38.07 3df4 n ILE 111 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3df4 n LEU 112 N -4.26 0.00 0.00 1.39 7.94 -1.26 -3.92 117.00 116.89 3df4 n LEU 112 Ca -0.08 -0.54 0.00 0.00 -1.11 0.00 0.00 56.01 54.28 3df4 n LEU 112 Cb 0.66 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 44.21 3df4 n LEU 112 CO 0.03 -0.99 0.00 0.00 -1.11 0.00 0.00 177.39 175.32 3df4 n ALA 113 N -3.42 0.00 0.00 1.96 0.00 -1.26 -3.63 120.51 114.16 3df4 n ALA 113 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3df4 n ALA 113 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3df4 n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 114 N 0.00 1.78 3.44 0.00 0.00 -1.26 -4.85 105.19 104.30 3df4 n GLY 114 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3df4 n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3df4 s GLU 115 N -0.01 1.65 0.00 1.61 8.01 -1.26 -4.94 118.70 123.75 3df4 s GLU 115 Ca 0.00 -1.61 0.00 0.00 0.01 0.00 0.00 54.97 53.37 3df4 s GLU 115 Cb 0.00 0.40 0.00 0.00 -4.31 0.00 0.00 34.13 30.22 3df4 s GLU 115 CO 0.00 -0.65 0.00 1.55 0.01 0.00 0.00 175.26 176.17 3df4 n VAL 116 N -0.46 0.00 0.00 2.63 3.14 -1.26 -4.44 118.33 117.95 3df4 n VAL 116 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 3df4 n VAL 116 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.41 3df4 n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 3df4 n THR 117 N 0.00 0.00 -1.75 1.55 -1.04 -1.26 -4.68 114.28 107.10 3df4 n THR 117 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 3df4 n THR 117 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3df4 n THR 117 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3df4 s THR 118 N 0.00 2.85 -0.52 12.58 -1.32 -1.26 -4.78 115.64 123.19 3df4 s THR 118 Ca 0.00 0.16 -0.26 0.00 -1.21 0.00 0.00 61.69 60.37 3df4 s THR 118 Cb 0.00 -3.10 -0.07 0.00 -1.51 0.00 0.00 72.50 67.82 3df4 s THR 118 CO 0.00 -0.01 2.36 -2.84 -2.21 0.00 0.00 174.62 171.93 3df4 s PRO 119 N 3.40 2.11 0.26 7.08 0.02 -1.23 -4.94 135.00 141.69 3df4 s PRO 119 Ca 0.82 1.29 0.10 0.00 0.02 0.00 0.00 61.00 63.23 3df4 s PRO 119 Cb -0.43 -4.58 -0.04 0.00 0.02 0.00 0.00 34.50 29.46 3df4 s PRO 119 CO 0.37 -3.30 -0.07 0.08 -0.33 0.00 0.00 177.00 173.75 3df4 s VAL 120 N 12.10 3.15 0.47 3.83 1.01 -1.26 -4.85 120.40 134.85 3df4 s VAL 120 Ca 0.95 -2.01 0.08 0.00 0.00 0.00 0.00 61.98 60.99 3df4 s VAL 120 Cb -0.16 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.57 3df4 s VAL 120 CO 0.25 -0.34 0.50 0.42 0.00 0.00 0.00 175.10 175.92 3df4 s THR 121 N -2.28 2.45 -0.03 3.92 -4.23 -1.26 -3.54 115.64 110.67 3df4 s THR 121 Ca 0.30 -1.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 3df4 s THR 121 Cb -0.06 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 71.10 3df4 s THR 121 CO 0.18 0.00 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.53 3df4 s VAL 122 N -2.54 0.40 -0.08 2.29 1.01 -1.25 0.77 120.40 121.00 3df4 s VAL 122 Ca 0.50 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.40 3df4 s VAL 122 Cb -0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 3df4 s VAL 122 CO 0.30 0.17 -0.21 -0.60 0.00 0.00 0.00 175.10 174.75 3df4 s ARG 123 N 0.55 2.87 -0.56 2.72 3.00 0.87 -3.26 118.95 125.13 3df4 s ARG 123 Ca -0.06 -0.83 -0.23 0.00 -1.00 0.00 0.00 55.73 53.61 3df4 s ARG 123 Cb -0.10 -2.33 0.03 0.00 0.00 0.00 0.00 34.95 32.56 3df4 s ARG 123 CO -0.00 0.32 0.64 0.41 0.00 0.00 0.00 175.30 176.67 3df4 n GLY 124 N 3.16 -0.57 3.72 8.12 0.00 -1.26 -3.00 105.19 115.36 3df4 n GLY 124 Ca -0.18 1.00 0.01 0.00 0.00 0.00 0.00 46.02 46.85 3df4 n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3df4 s LEU 125 N -3.19 -0.05 0.00 0.99 0.20 -1.26 -4.24 118.68 111.13 3df4 s LEU 125 Ca 0.24 -0.20 0.04 0.00 0.69 0.00 0.00 54.13 54.90 3df4 s LEU 125 Cb -0.03 1.47 0.04 0.00 -0.43 0.00 0.00 46.19 47.23 3df4 s LEU 125 CO 0.85 -0.38 0.32 0.54 -0.29 0.00 0.00 176.35 177.39 3df4 n ARG 126 N -0.58 0.91 -3.64 1.98 3.00 -1.22 -4.56 116.66 112.55 3df4 n ARG 126 Ca -0.06 -1.59 -0.03 0.00 -0.01 0.00 0.00 57.85 56.16 3df4 n ARG 126 Cb 0.62 -0.01 -0.06 0.00 0.00 0.00 0.00 32.46 33.01 3df4 n ARG 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3df4 s VAL 127 N -0.98 0.00 0.65 1.55 0.11 -1.26 -2.53 120.40 117.95 3df4 s VAL 127 Ca 0.25 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.16 3df4 s VAL 127 Cb -0.02 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 3df4 s VAL 127 CO 0.16 0.00 1.06 0.42 -3.33 0.00 0.00 175.10 173.41 3df4 s THR 128 N -0.42 3.83 -0.35 5.04 -4.23 -1.26 -4.85 115.64 113.39 3df4 s THR 128 Ca 0.07 0.73 0.26 0.00 -1.18 0.00 0.00 61.69 61.57 3df4 s THR 128 Cb -0.03 -3.33 0.29 0.00 1.34 0.00 0.00 72.50 70.77 3df4 s THR 128 CO -0.11 -0.65 1.79 0.07 -0.54 0.00 0.00 174.62 175.18 3df4 h LYS 129 N -0.19 0.00 0.00 3.99 2.10 -2.01 0.60 116.57 121.06 3df4 h LYS 129 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3df4 h LYS 129 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3df4 h LYS 129 CO 0.56 0.00 -0.77 0.78 -2.00 0.00 0.00 179.45 178.02 3df4 h GLY 130 N 2.48 0.00 0.46 0.07 0.00 -1.99 -3.30 103.07 100.79 3df4 h GLY 130 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 3df4 h GLY 130 CO 0.00 0.00 -2.09 0.00 0.00 0.00 0.00 176.54 174.45 3df4 n ALA 131 N -1.96 1.38 0.13 3.60 0.00 -0.70 -3.30 120.51 119.65 3df4 n ALA 131 Ca 0.02 -0.96 -0.08 0.00 0.00 0.00 0.00 53.44 52.42 3df4 n ALA 131 Cb 0.48 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 19.39 3df4 n ALA 131 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3df4 h ARG 132 N 0.01 -0.42 -0.35 0.00 2.43 -1.03 0.35 114.38 115.38 3df4 h ARG 132 Ca -0.44 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.83 3df4 h ARG 132 Cb 2.07 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.70 3df4 h ARG 132 CO 0.04 -0.28 0.24 0.00 -1.51 0.00 0.00 179.97 178.46 3df4 h ALA 133 N -1.42 2.11 0.39 2.80 0.00 -1.78 0.44 119.26 121.81 3df4 h ALA 133 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3df4 h ALA 133 Cb 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3df4 h ALA 133 CO -0.02 -0.19 -0.26 0.00 0.00 0.00 0.00 179.25 178.79 3df4 h ALA 134 N 1.82 -0.62 -0.09 0.00 0.00 -1.31 0.25 119.26 119.30 3df4 h ALA 134 Ca 0.16 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3df4 h ALA 134 Cb 0.41 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3df4 h ALA 134 CO -0.02 -0.87 -0.59 0.97 0.00 0.00 0.00 179.25 178.74 3df4 h ILE 135 N -0.63 1.37 -0.00 0.00 2.10 0.41 -2.50 117.51 118.26 3df4 h ILE 135 Ca -0.04 -1.92 0.00 0.00 1.08 0.00 0.00 64.86 63.98 3df4 h ILE 135 Cb 0.52 1.95 -0.00 0.00 -1.09 0.00 0.00 36.82 38.20 3df4 h ILE 135 CO 0.03 0.57 0.00 -0.33 -1.08 0.00 0.00 178.15 177.35 3df4 h GLU 136 N 0.22 0.00 0.00 2.19 4.39 0.22 0.37 114.58 121.97 3df4 h GLU 136 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3df4 h GLU 136 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3df4 h GLU 136 CO 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.94 3df4 h ALA 137 N 2.00 1.00 -2.48 3.43 0.00 -0.03 -3.17 119.26 120.00 3df4 h ALA 137 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3df4 h ALA 137 Cb 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.40 3df4 h ALA 137 CO -0.00 0.00 -0.89 0.00 0.00 0.00 0.00 179.25 178.36 3df4 n ALA 138 N -1.91 2.98 -3.31 0.00 0.00 0.11 -4.95 120.51 113.44 3df4 n ALA 138 Ca -0.02 -3.49 -0.17 0.00 0.00 0.00 0.00 53.44 49.76 3df4 n ALA 138 Cb 0.08 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 3df4 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 139 N 2.46 -0.10 0.00 0.00 0.00 -1.20 -3.56 105.19 102.79 3df4 n GLY 139 Ca 0.27 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3df4 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 140 N -1.52 -2.89 3.61 -0.02 0.00 -0.24 -4.10 105.19 100.04 3df4 n GLY 140 Ca -0.10 -1.26 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 3df4 n GLY 140 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3df4 s LYS 141 N 0.00 0.21 0.09 1.61 2.36 -1.23 -4.78 119.74 117.99 3df4 s LYS 141 Ca 0.00 -0.08 -0.00 0.00 -2.55 0.00 0.00 55.97 53.34 3df4 s LYS 141 Cb 0.00 0.09 -0.04 0.00 -1.05 0.00 0.00 37.83 36.83 3df4 s LYS 141 CO 0.00 -0.09 -0.02 0.42 1.55 0.00 0.00 175.35 177.21 3df4 s ILE 142 N -2.27 0.35 0.00 5.43 1.09 -1.26 -3.96 121.20 120.58 3df4 s ILE 142 Ca 0.11 -1.87 0.00 0.00 -1.10 0.00 0.00 60.65 57.78 3df4 s ILE 142 Cb -0.00 -1.71 0.00 0.00 -1.06 0.00 0.00 42.46 39.69 3df4 s ILE 142 CO -0.04 -0.82 0.00 -1.84 -0.10 0.00 0.00 174.94 172.14 3df4 n GLU 143 N 0.00 0.00 -0.64 2.79 0.00 -1.20 -4.83 120.64 116.76 3df4 n GLU 143 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.05 3df4 n GLU 143 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.06 3df4 n GLU 143 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52