#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n LEU 3 N 0.00 0.00 0.00 6.15 4.77 -1.26 -4.12 117.00 122.54 3df2 n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3df2 n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3df2 n LEU 3 CO 0.00 -0.53 0.00 0.59 -1.33 0.00 0.00 177.39 176.12 3df2 n ASN 4 N -0.49 0.00 -0.02 -1.43 5.03 -1.26 -4.14 115.26 112.95 3df2 n ASN 4 Ca 0.00 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.46 3df2 n ASN 4 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 38.77 3df2 n ASN 4 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3df2 n THR 5 N 0.00 -0.03 -2.42 3.41 -2.24 -1.26 -4.09 114.28 107.65 3df2 n THR 5 Ca 0.00 0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.50 3df2 n THR 5 Cb 0.00 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.00 3df2 n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3df2 s LEU 6 N -8.01 4.18 0.32 3.22 2.34 -1.26 -5.03 118.68 114.45 3df2 s LEU 6 Ca -0.01 1.70 0.08 0.00 0.06 0.00 0.00 54.13 55.96 3df2 s LEU 6 Cb 0.02 -3.54 -0.04 0.00 -0.56 0.00 0.00 46.19 42.07 3df2 s LEU 6 CO 0.05 -0.76 0.16 -0.44 -1.06 0.00 0.00 176.35 174.30 3df2 s SER 7 N 1.99 4.91 1.34 1.48 0.01 -1.26 -5.09 113.70 117.08 3df2 s SER 7 Ca 0.55 -0.62 -0.18 0.00 1.31 0.00 0.00 55.95 57.00 3df2 s SER 7 Cb -0.22 -0.89 0.34 0.00 0.21 0.00 0.00 66.02 65.47 3df2 s SER 7 CO 0.15 -0.23 0.95 -2.84 0.41 0.00 0.00 173.24 171.68 3df2 s PRO 8 N -3.85 -2.28 0.24 12.44 0.02 -1.26 -5.01 135.00 135.30 3df2 s PRO 8 Ca 0.37 0.47 -0.04 0.00 0.02 0.00 0.00 61.00 61.82 3df2 s PRO 8 Cb -0.05 -1.42 0.06 0.00 0.02 0.00 0.00 34.50 33.11 3df2 s PRO 8 CO 0.23 -4.53 0.17 0.00 -0.33 0.00 0.00 177.00 172.55 3df2 n ALA 9 N -5.43 -0.76 -3.15 -1.55 0.00 -1.26 -4.90 120.51 103.46 3df2 n ALA 9 Ca 0.08 -0.28 -0.44 0.00 0.00 0.00 0.00 53.44 52.80 3df2 n ALA 9 Cb 0.57 -0.02 0.01 0.00 0.00 0.00 0.00 19.45 20.01 3df2 n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3df2 n GLU 10 N -2.37 4.07 0.00 0.00 4.07 -1.26 -4.30 120.64 120.85 3df2 n GLU 10 Ca 0.03 -4.51 0.00 0.00 -0.06 0.00 0.00 57.16 52.62 3df2 n GLU 10 Cb 0.10 -2.53 0.00 0.00 -0.06 0.00 0.00 31.44 28.95 3df2 n GLU 10 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3df2 n GLY 11 N 1.92 0.90 0.00 8.31 0.00 -1.26 -5.07 105.19 110.00 3df2 n GLY 11 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3df2 n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3df2 n SER 12 N 0.00 0.00 -4.63 1.61 7.64 -1.26 -4.18 113.62 112.80 3df2 n SER 12 Ca 0.00 0.70 -0.43 0.00 1.01 0.00 0.00 58.87 60.15 3df2 n SER 12 Cb 0.00 -0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 3df2 n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3df2 s LYS 13 N -1.79 3.82 -0.50 1.43 -0.14 -1.26 -4.90 119.74 116.40 3df2 s LYS 13 Ca 0.00 1.82 0.03 0.00 -1.36 0.00 0.00 55.97 56.45 3df2 s LYS 13 Cb 0.00 -4.06 0.44 0.00 -1.68 0.00 0.00 37.83 32.53 3df2 s LYS 13 CO 0.00 -1.27 1.57 1.63 -0.76 0.00 0.00 175.35 176.52 3df2 n LYS 14 N 7.66 3.17 0.00 1.68 4.76 -1.26 -5.03 118.16 129.14 3df2 n LYS 14 Ca 0.19 -3.83 0.00 0.00 -2.87 0.00 0.00 58.31 51.80 3df2 n LYS 14 Cb 0.45 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 3df2 n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3df2 n ALA 15 N -0.73 0.00 0.00 7.82 0.00 -1.26 -4.82 120.51 121.52 3df2 n ALA 15 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3df2 n ALA 15 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 3df2 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df2 n GLY 16 N 0.00 4.02 3.31 0.00 0.00 -1.26 -5.12 105.19 106.14 3df2 n GLY 16 Ca 0.00 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 3df2 n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3df2 n LYS 17 N -1.66 -4.01 0.20 1.61 2.85 -1.26 -5.00 118.16 110.90 3df2 n LYS 17 Ca 0.00 -1.18 0.00 0.00 -1.05 0.00 0.00 58.31 56.08 3df2 n LYS 17 Cb 0.00 -2.00 0.00 0.00 -0.65 0.00 0.00 35.03 32.38 3df2 n LYS 17 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3df2 n ARG 18 N -5.46 0.00 -1.42 -1.58 1.74 -1.26 -5.17 116.66 103.50 3df2 n ARG 18 Ca 0.09 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.22 3df2 n ARG 18 Cb 0.58 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.99 3df2 n ARG 18 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3df2 n LEU 19 N -3.50 -1.37 -4.01 0.55 4.32 -1.26 -4.79 117.00 106.94 3df2 n LEU 19 Ca 0.00 2.52 -0.32 0.00 -0.02 0.00 0.00 56.01 58.19 3df2 n LEU 19 Cb 0.00 -2.83 0.01 0.00 -1.62 0.00 0.00 43.42 38.98 3df2 n LEU 19 CO 0.00 -1.14 0.04 0.61 -1.22 0.00 0.00 177.39 175.68 3df2 n GLY 20 N -3.04 -0.46 2.25 -0.72 0.00 -0.43 -4.92 105.19 97.87 3df2 n GLY 20 Ca -0.03 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3df2 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df2 n ARG 21 N -4.56 1.16 -0.83 1.61 5.12 -1.26 -4.97 116.66 112.93 3df2 n ARG 21 Ca 0.02 -3.57 0.01 0.00 -1.93 0.00 0.00 57.85 52.39 3df2 n ARG 21 Cb 0.53 -1.48 -0.01 0.00 -1.16 0.00 0.00 32.46 30.34 3df2 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3df2 n GLY 22 N 1.21 -3.42 0.16 -0.13 0.00 -1.26 -3.97 105.19 97.78 3df2 n GLY 22 Ca 0.23 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 3df2 n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3df2 h ILE 23 N -0.04 0.73 -0.95 -0.61 5.03 -1.95 -2.96 117.51 116.75 3df2 h ILE 23 Ca -0.02 0.00 0.26 0.00 -0.12 0.00 0.00 64.86 64.98 3df2 h ILE 23 Cb 0.55 0.73 -0.17 0.00 -3.03 0.00 0.00 36.82 34.90 3df2 h ILE 23 CO 0.01 0.00 0.05 1.23 -0.68 0.00 0.00 178.15 178.76 3df2 h GLY 24 N -0.23 1.22 -1.87 5.37 0.00 -2.00 0.56 103.07 106.12 3df2 h GLY 24 Ca 0.02 0.13 0.54 0.00 0.00 0.00 0.00 47.33 48.03 3df2 h GLY 24 CO -0.07 -0.48 1.40 -1.26 0.00 0.00 0.00 176.54 176.13 3df2 n SER 25 N -5.45 0.00 0.00 0.19 2.88 -1.12 -4.70 113.62 105.43 3df2 n SER 25 Ca 0.22 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 3df2 n SER 25 Cb 0.72 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 3df2 n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3df2 n GLY 26 N -1.89 0.51 2.31 0.46 0.00 0.19 -4.91 105.19 101.84 3df2 n GLY 26 Ca 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 3df2 n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3df2 n LEU 27 N 0.00 0.04 0.00 0.99 4.32 -1.26 -5.05 117.00 116.04 3df2 n LEU 27 Ca 0.00 -4.67 0.00 0.00 -0.02 0.00 0.00 56.01 51.32 3df2 n LEU 27 Cb 0.00 0.75 0.00 0.00 -1.62 0.00 0.00 43.42 42.55 3df2 n LEU 27 CO 0.00 2.21 0.00 0.61 -1.22 0.00 0.00 177.39 178.99 3df2 n GLY 28 N 0.50 -2.77 0.00 -0.72 0.00 -1.25 -1.36 105.19 99.59 3df2 n GLY 28 Ca 0.21 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3df2 n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3df2 n LYS 29 N 0.00 1.31 -0.56 1.61 2.85 -1.26 -1.31 118.16 120.80 3df2 n LYS 29 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3df2 n LYS 29 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3df2 n LYS 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3df2 n THR 30 N -0.62 0.00 -3.06 0.58 -2.24 -1.26 -3.25 114.28 104.42 3df2 n THR 30 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3df2 n THR 30 Cb 0.00 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.64 3df2 n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df2 n GLY 31 N 0.34 -0.40 3.10 3.38 0.00 -1.25 0.48 105.19 110.84 3df2 n GLY 31 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 3df2 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df2 n GLY 32 N -0.67 -0.49 0.27 -0.02 0.00 -1.20 -4.81 105.19 98.26 3df2 n GLY 32 Ca 0.04 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.17 3df2 n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3df2 n ARG 33 N -3.52 0.65 0.00 1.61 1.85 0.18 -5.13 116.66 112.30 3df2 n ARG 33 Ca -0.05 -1.60 0.00 0.00 -1.00 0.00 0.00 57.85 55.19 3df2 n ARG 33 Cb 0.56 -0.91 0.00 0.00 -1.05 0.00 0.00 32.46 31.06 3df2 n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3df2 n GLY 34 N -0.58 -0.19 3.21 2.89 0.00 -1.23 -4.75 105.19 104.53 3df2 n GLY 34 Ca 0.06 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 3df2 n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3df2 s HIS 35 N 0.00 2.16 0.00 1.61 3.76 -1.26 -4.77 115.29 116.79 3df2 s HIS 35 Ca 0.00 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 3df2 s HIS 35 Cb 0.00 -1.43 0.00 0.00 1.11 0.00 0.00 32.58 32.26 3df2 s HIS 35 CO 0.00 -0.23 0.00 1.63 -0.85 0.00 0.00 174.74 175.29 3df2 n LYS 36 N 3.12 0.00 0.00 1.40 5.02 -1.26 -4.99 118.16 121.45 3df2 n LYS 36 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 3df2 n LYS 36 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 3df2 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df2 n GLY 37 N 0.00 -0.98 0.26 0.72 0.00 -1.26 -4.26 105.19 99.67 3df2 n GLY 37 Ca 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.43 3df2 n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3df2 h GLN 38 N 0.00 0.41 0.00 1.61 4.15 -1.98 -1.99 115.11 117.31 3df2 h GLN 38 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3df2 h GLN 38 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.63 3df2 h GLN 38 CO 0.00 0.47 0.17 0.87 -1.93 0.00 0.00 178.83 178.41 3df2 h LYS 39 N 0.39 0.00 -6.77 1.69 1.79 -1.84 -3.22 116.57 108.62 3df2 h LYS 39 Ca 0.09 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.10 3df2 h LYS 39 Cb 0.32 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.01 3df2 h LYS 39 CO 0.01 0.00 -0.06 0.45 -1.08 0.00 0.00 179.45 178.77 3df2 s SER 40 N -4.43 5.03 0.29 0.86 0.15 -0.75 -4.75 113.70 110.10 3df2 s SER 40 Ca -0.03 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.13 3df2 s SER 40 Cb 0.09 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 3df2 s SER 40 CO 0.28 -1.34 0.00 0.54 1.20 0.00 0.00 173.24 173.92 3df2 n ARG 41 N -2.35 -2.54 -1.28 5.44 1.74 -1.26 -4.15 116.66 112.25 3df2 n ARG 41 Ca 0.13 1.89 -0.36 0.00 -0.77 0.00 0.00 57.85 58.74 3df2 n ARG 41 Cb 0.60 -2.14 0.07 0.00 -1.02 0.00 0.00 32.46 29.98 3df2 n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3df2 n SER 42 N -0.97 -0.89 0.00 0.55 3.41 -1.26 -0.68 113.62 113.78 3df2 n SER 42 Ca 0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3df2 n SER 42 Cb 0.01 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 62.71 3df2 n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3df2 n GLY 43 N 1.55 0.96 3.69 5.00 0.00 -1.26 -4.89 105.19 110.24 3df2 n GLY 43 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3df2 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3df2 s GLY 44 N -1.19 1.35 0.00 -0.02 0.00 0.15 -4.90 107.32 102.71 3df2 s GLY 44 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.16 3df2 s GLY 44 CO 0.00 3.20 0.00 0.61 0.00 0.00 0.00 173.10 176.91 3df2 n GLY 45 N 4.28 2.54 3.74 0.20 0.00 -1.21 -4.70 105.19 110.03 3df2 n GLY 45 Ca 0.18 0.27 -0.39 0.00 0.00 0.00 0.00 46.02 46.09 3df2 n GLY 45 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df2 n VAL 46 N 0.00 3.57 -0.59 1.61 0.24 -1.26 -4.95 118.33 116.94 3df2 n VAL 46 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.50 3df2 n VAL 46 Cb 0.00 -1.68 0.21 0.00 -1.47 0.00 0.00 33.84 30.90 3df2 n VAL 46 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3df2 n ARG 47 N -0.80 -1.37 -1.74 7.34 1.85 -1.26 -4.91 116.66 115.77 3df2 n ARG 47 Ca 0.09 -0.35 -0.42 0.00 -1.00 0.00 0.00 57.85 56.17 3df2 n ARG 47 Cb 0.44 -2.24 -0.00 0.00 -1.05 0.00 0.00 32.46 29.60 3df2 n ARG 47 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3df2 n ARG 48 N -4.37 2.45 -3.91 2.89 1.74 -1.26 -3.33 116.66 110.87 3df2 n ARG 48 Ca 0.07 0.86 -0.37 0.00 -0.77 0.00 0.00 57.85 57.64 3df2 n ARG 48 Cb 0.53 -2.53 0.02 0.00 -1.02 0.00 0.00 32.46 29.46 3df2 n ARG 48 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3df2 n GLY 49 N 0.75 -1.01 2.42 -0.13 0.00 -1.26 -4.92 105.19 101.05 3df2 n GLY 49 Ca 0.03 0.43 -0.27 0.00 0.00 0.00 0.00 46.02 46.22 3df2 n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3df2 n PHE 50 N -4.17 3.46 -1.54 1.61 -0.00 -1.21 -4.89 117.46 110.72 3df2 n PHE 50 Ca -0.16 -4.14 -0.17 0.00 -0.00 0.00 0.00 57.45 52.98 3df2 n PHE 50 Cb 0.60 -0.55 -0.12 0.00 -0.00 0.00 0.00 39.48 39.41 3df2 n PHE 50 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3df2 n GLU 51 N 0.90 0.38 0.00 -4.13 1.02 -1.26 -4.45 120.64 113.10 3df2 n GLU 51 Ca 0.29 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 3df2 n GLU 51 Cb 0.41 -2.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 3df2 n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3df2 n GLY 52 N 6.34 0.24 0.00 0.62 0.00 -1.26 -2.53 105.19 108.60 3df2 n GLY 52 Ca 0.54 0.57 0.00 0.00 0.00 0.00 0.00 46.02 47.13 3df2 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df2 n GLY 53 N 0.00 0.01 3.14 -0.02 0.00 -1.26 -5.14 105.19 101.92 3df2 n GLY 53 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3df2 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df2 n GLN 54 N -0.56 -1.52 -1.80 1.61 10.64 -1.05 -4.75 117.38 119.94 3df2 n GLN 54 Ca 0.00 -0.44 -0.42 0.00 -1.83 0.00 0.00 57.00 54.31 3df2 n GLN 54 Cb 0.00 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 27.86 3df2 n GLN 54 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 3df2 s MET 55 N -3.17 3.07 1.06 2.61 -2.45 -1.26 -4.73 119.30 114.43 3df2 s MET 55 Ca 0.45 1.61 -0.17 0.00 -1.25 0.00 0.00 55.69 56.33 3df2 s MET 55 Cb -0.06 -4.32 0.06 0.00 1.25 0.00 0.00 34.83 31.76 3df2 s MET 55 CO 0.55 -2.17 0.01 -2.30 1.05 0.00 0.00 175.02 172.16 3df2 n PRO 56 N 8.68 -1.09 -0.05 4.11 -0.02 -1.26 -4.46 135.00 140.91 3df2 n PRO 56 Ca 0.27 -0.30 -0.10 0.00 -2.02 0.00 0.00 63.50 61.35 3df2 n PRO 56 Cb 0.47 -1.69 -0.04 0.00 -0.02 0.00 0.00 33.50 32.23 3df2 n PRO 56 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3df2 h LEU 57 N -1.83 0.24 -1.56 2.45 5.85 -1.92 -0.11 115.31 118.43 3df2 h LEU 57 Ca -0.50 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.17 3df2 h LEU 57 Cb 1.34 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3df2 h LEU 57 CO 0.36 0.22 0.00 0.00 -0.34 0.00 0.00 178.44 178.68 3df2 n TYR 58 N -4.92 0.00 0.00 1.25 0.18 -1.26 -2.54 117.16 109.87 3df2 n TYR 58 Ca -0.03 -0.20 0.00 0.00 1.88 0.00 0.00 57.90 59.54 3df2 n TYR 58 Cb 0.05 -0.15 0.00 0.00 -0.38 0.00 0.00 39.34 38.86 3df2 n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3df2 n ARG 59 N 0.41 0.00 0.06 -3.48 5.12 -0.47 -4.83 116.66 113.48 3df2 n ARG 59 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 3df2 n ARG 59 Cb 0.29 -0.61 0.02 0.00 -1.16 0.00 0.00 32.46 31.00 3df2 n ARG 59 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3df2 h ARG 60 N 0.00 0.34 -6.27 5.56 3.08 -0.85 -3.44 114.38 112.80 3df2 h ARG 60 Ca 0.00 -0.30 -0.55 0.00 0.07 0.00 0.00 59.98 59.20 3df2 h ARG 60 Cb 0.33 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3df2 h ARG 60 CO 0.00 0.96 0.26 -0.51 -1.07 0.00 0.00 179.97 179.61 3df2 s LEU 61 N -7.81 4.35 0.00 3.04 1.02 -1.05 -5.05 118.68 113.18 3df2 s LEU 61 Ca -0.05 1.48 -0.17 0.00 0.02 0.00 0.00 54.13 55.42 3df2 s LEU 61 Cb 0.10 -3.39 0.26 0.00 0.02 0.00 0.00 46.19 43.19 3df2 s LEU 61 CO 0.84 -0.20 0.60 -2.65 0.02 0.00 0.00 176.35 174.95 3df2 n PRO 62 N 3.83 -3.15 -4.65 1.29 -0.02 -1.26 -4.92 135.00 126.12 3df2 n PRO 62 Ca 0.03 -1.00 -0.23 0.00 -2.02 0.00 0.00 63.50 60.28 3df2 n PRO 62 Cb 0.51 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.34 3df2 n PRO 62 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3df2 s LYS 63 N -4.15 1.30 -0.56 -0.52 -2.85 -1.26 -5.04 119.74 106.65 3df2 s LYS 63 Ca 0.46 -0.49 0.04 0.00 -1.00 0.00 0.00 55.97 54.98 3df2 s LYS 63 Cb -0.08 -1.20 0.16 0.00 -2.06 0.00 0.00 37.83 34.65 3df2 s LYS 63 CO 0.39 0.24 0.38 -0.59 0.10 0.00 0.00 175.35 175.87 3df2 s PHE 64 N -0.10 2.63 0.00 1.78 -0.12 -1.26 -5.10 117.98 115.80 3df2 s PHE 64 Ca 0.01 -2.89 0.00 0.00 -0.05 0.00 0.00 56.93 53.99 3df2 s PHE 64 Cb -0.08 -2.14 0.00 0.00 -0.63 0.00 0.00 43.02 40.17 3df2 s PHE 64 CO 0.00 -0.68 0.00 0.41 -0.05 0.00 0.00 175.22 174.90 3df2 n GLY 65 N 2.64 -0.50 0.27 1.99 0.00 -1.26 -5.05 105.19 103.28 3df2 n GLY 65 Ca 0.18 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3df2 n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3df2 n PHE 66 N 0.00 0.00 -5.13 1.61 7.35 -1.26 -5.09 117.46 114.94 3df2 n PHE 66 Ca 0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 3df2 n PHE 66 Cb 0.00 -1.37 -0.16 0.00 0.35 0.00 0.00 39.48 38.30 3df2 n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3df2 s THR 67 N -0.19 1.83 0.17 -2.13 -4.23 -1.26 -5.05 115.64 104.78 3df2 s THR 67 Ca 0.00 -0.96 -0.25 0.00 -1.18 0.00 0.00 61.69 59.29 3df2 s THR 67 Cb 0.00 -1.53 0.05 0.00 1.34 0.00 0.00 72.50 72.35 3df2 s THR 67 CO 0.00 0.51 1.57 0.77 -0.54 0.00 0.00 174.62 176.93 3df2 h SER 68 N 5.85 -1.52 -0.33 3.99 4.64 -2.01 -3.45 113.55 120.72 3df2 h SER 68 Ca -0.36 0.25 -0.14 0.00 -0.47 0.00 0.00 61.79 61.07 3df2 h SER 68 Cb 1.15 0.70 -0.06 0.00 -0.31 0.00 0.00 62.40 63.88 3df2 h SER 68 CO 0.47 -0.33 -0.13 -1.14 -0.87 0.00 0.00 176.83 174.84 3df2 n ARG 69 N -5.40 -1.23 0.10 4.77 0.00 -1.26 -4.62 116.66 109.01 3df2 n ARG 69 Ca 0.02 0.67 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 3df2 n ARG 69 Cb 0.35 -4.76 0.00 0.00 0.00 0.00 0.00 32.46 28.05 3df2 n ARG 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3df2 n LYS 70 N -1.31 0.00 0.19 -0.14 4.81 -1.26 -4.83 118.16 115.62 3df2 n LYS 70 Ca -0.07 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.54 3df2 n LYS 70 Cb 0.41 0.00 0.70 0.00 0.02 0.00 0.00 35.03 36.16 3df2 n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df2 h ALA 71 N 0.00 1.83 0.00 3.14 0.00 -1.93 0.85 119.26 123.15 3df2 h ALA 71 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3df2 h ALA 71 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3df2 h ALA 71 CO 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 179.25 178.53 3df2 h ALA 72 N 1.24 1.48 -0.02 0.00 0.00 -1.93 0.62 119.26 120.66 3df2 h ALA 72 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3df2 h ALA 72 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3df2 h ALA 72 CO -0.00 0.12 -0.18 0.44 0.00 0.00 0.00 179.25 179.63 3df2 n ILE 73 N -3.89 0.00 -3.33 0.00 -5.35 0.30 -4.89 119.36 102.20 3df2 n ILE 73 Ca -0.02 -0.31 -0.38 0.00 -0.27 0.00 0.00 62.75 61.76 3df2 n ILE 73 Cb 0.19 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.04 3df2 n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3df2 s THR 74 N -2.22 5.01 0.00 7.28 2.01 0.21 -2.07 115.64 125.86 3df2 s THR 74 Ca 0.27 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.31 3df2 s THR 74 Cb 0.20 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.87 3df2 s THR 74 CO 0.42 0.45 0.00 0.00 -0.69 0.00 0.00 174.62 174.80 3df2 n ALA 75 N 2.67 0.00 -3.13 7.40 0.00 0.34 -4.93 120.51 122.86 3df2 n ALA 75 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 3df2 n ALA 75 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 3df2 n ALA 75 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3df2 n GLU 76 N -0.97 0.60 -1.45 0.00 2.13 -1.26 -4.11 120.64 115.57 3df2 n GLU 76 Ca 0.00 -2.89 -0.39 0.00 0.66 0.00 0.00 57.16 54.54 3df2 n GLU 76 Cb 0.00 -1.37 0.03 0.00 0.27 0.00 0.00 31.44 30.37 3df2 n GLU 76 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3df2 n ILE 77 N 1.85 1.96 -4.45 6.31 5.41 -0.85 -4.96 119.36 124.63 3df2 n ILE 77 Ca 0.21 -0.50 -0.25 0.00 1.00 0.00 0.00 62.75 63.21 3df2 n ILE 77 Cb 0.54 -0.61 -0.13 0.00 -0.71 0.00 0.00 39.64 38.72 3df2 n ILE 77 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3df2 s ARG 78 N -1.86 1.25 0.13 0.38 3.52 -1.22 -4.15 118.95 117.00 3df2 s ARG 78 Ca 0.66 -1.06 -0.15 0.00 -0.13 0.00 0.00 55.73 55.05 3df2 s ARG 78 Cb -0.49 -1.45 -0.00 0.00 -1.56 0.00 0.00 34.95 31.45 3df2 s ARG 78 CO 0.56 0.35 1.67 -0.07 -0.81 0.00 0.00 175.30 177.00 3df2 h LEU 79 N 4.44 0.59 -1.00 -0.88 3.38 -1.69 -2.65 115.31 117.50 3df2 h LEU 79 Ca -0.45 -0.19 0.29 0.00 0.09 0.00 0.00 57.88 57.62 3df2 h LEU 79 Cb 1.17 -0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.63 3df2 h LEU 79 CO 0.42 0.62 0.57 0.77 0.09 0.00 0.00 178.44 180.90 3df2 h SER 80 N 0.52 0.58 0.00 -0.43 4.64 -1.89 -3.34 113.55 113.63 3df2 h SER 80 Ca 0.13 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3df2 h SER 80 Cb 0.23 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3df2 h SER 80 CO -0.01 -0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.39 3df2 n ASP 81 N -4.98 0.00 0.00 4.97 8.00 -1.00 -4.63 116.55 118.91 3df2 n ASP 81 Ca 0.29 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.79 3df2 n ASP 81 Cb 0.87 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.97 3df2 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3df2 n LEU 82 N 0.00 0.00 0.27 0.64 4.77 -1.22 -2.83 117.00 118.62 3df2 n LEU 82 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 3df2 n LEU 82 Cb 0.00 0.00 0.88 0.00 -2.33 0.00 0.00 43.42 41.97 3df2 n LEU 82 CO 0.00 0.00 1.15 0.00 -1.33 0.00 0.00 177.39 177.21 3df2 h ALA 83 N -0.89 1.51 0.00 -1.18 0.00 -1.83 0.18 119.26 117.05 3df2 h ALA 83 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3df2 h ALA 83 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3df2 h ALA 83 CO 0.00 -0.31 0.00 1.63 0.00 0.00 0.00 179.25 180.57 3df2 n LYS 84 N -3.27 0.67 -0.87 0.00 5.02 -1.13 -3.18 118.16 115.40 3df2 n LYS 84 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 3df2 n LYS 84 Cb 0.35 -1.05 0.26 0.00 -0.02 0.00 0.00 35.03 34.57 3df2 n LYS 84 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3df2 n VAL 85 N -0.40 2.53 -3.26 -0.18 3.14 0.63 -4.96 118.33 115.83 3df2 n VAL 85 Ca 0.00 -1.35 -0.24 0.00 -2.96 0.00 0.00 64.34 59.79 3df2 n VAL 85 Cb 0.02 -0.42 0.02 0.00 -1.06 0.00 0.00 33.84 32.41 3df2 n VAL 85 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3df2 n GLU 86 N -0.07 -1.91 0.00 1.45 4.07 -1.19 -4.77 120.64 118.22 3df2 n GLU 86 Ca 0.35 1.59 0.00 0.00 -0.06 0.00 0.00 57.16 59.04 3df2 n GLU 86 Cb 1.23 -2.97 0.00 0.00 -0.06 0.00 0.00 31.44 29.64 3df2 n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3df2 n GLY 87 N 0.05 -1.04 0.00 8.31 0.00 -1.26 -5.06 105.19 106.20 3df2 n GLY 87 Ca -0.02 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.86 3df2 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df2 n GLY 88 N 0.00 1.43 2.98 -0.02 0.00 -1.26 -4.78 105.19 103.54 3df2 n GLY 88 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3df2 n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3df2 n VAL 89 N 0.00 -0.95 -2.65 1.61 3.14 -1.24 -4.78 118.33 113.45 3df2 n VAL 89 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 3df2 n VAL 89 Cb 0.00 -2.42 -0.01 0.00 -1.06 0.00 0.00 33.84 30.35 3df2 n VAL 89 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3df2 s VAL 90 N 0.00 4.22 1.17 1.55 1.01 0.26 -4.81 120.40 123.80 3df2 s VAL 90 Ca 0.00 -1.58 -0.20 0.00 0.00 0.00 0.00 61.98 60.20 3df2 s VAL 90 Cb 0.00 -5.08 0.28 0.00 0.00 0.00 0.00 36.38 31.58 3df2 s VAL 90 CO 0.00 -1.90 1.19 -0.62 0.00 0.00 0.00 175.10 173.77 3df2 s ASP 91 N 4.26 1.26 0.06 3.32 -1.08 -1.26 0.15 116.67 123.37 3df2 s ASP 91 Ca 0.48 0.39 -0.33 0.00 -0.52 0.00 0.00 52.55 52.57 3df2 s ASP 91 Cb 0.01 -0.47 -0.18 0.00 -1.46 0.00 0.00 42.92 40.82 3df2 s ASP 91 CO -0.01 -3.89 1.50 -0.07 0.52 0.00 0.00 175.17 173.22 3df2 h LEU 92 N -2.43 -1.05 0.00 -1.34 3.38 -1.70 -3.39 115.31 108.77 3df2 h LEU 92 Ca -0.43 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3df2 h LEU 92 Cb 1.26 0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3df2 h LEU 92 CO 0.29 -0.71 0.00 0.59 0.09 0.00 0.00 178.44 178.70 3df2 n ASN 93 N -5.23 0.00 0.00 -0.43 3.02 -1.26 -4.50 115.26 106.85 3df2 n ASN 93 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 3df2 n ASN 93 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 3df2 n ASN 93 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3df2 n THR 94 N 0.00 0.00 -0.31 3.41 -2.24 -1.26 0.15 114.28 114.03 3df2 n THR 94 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 3df2 n THR 94 Cb 0.00 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 68.55 3df2 n THR 94 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3df2 h LEU 95 N 0.00 0.77 -1.44 3.22 4.07 -1.80 0.72 115.31 120.85 3df2 h LEU 95 Ca 0.00 0.05 0.15 0.00 0.08 0.00 0.00 57.88 58.16 3df2 h LEU 95 Cb 0.00 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.58 3df2 h LEU 95 CO 0.00 0.39 0.54 0.11 -1.08 0.00 0.00 178.44 178.40 3df2 h LYS 96 N 0.81 0.53 -0.81 1.13 1.57 0.12 0.97 116.57 120.89 3df2 h LYS 96 Ca 0.48 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 59.08 3df2 h LYS 96 Cb 0.65 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.76 3df2 h LYS 96 CO -0.24 0.35 0.18 0.00 -0.57 0.00 0.00 179.45 179.17 3df2 n ALA 97 N -2.48 3.98 -2.51 3.86 0.00 0.25 -3.96 120.51 119.65 3df2 n ALA 97 Ca 0.16 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.94 3df2 n ALA 97 Cb 0.51 -1.18 0.05 0.00 0.00 0.00 0.00 19.45 18.83 3df2 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df2 n ALA 98 N 0.02 2.80 -3.70 0.00 0.00 0.33 -4.99 120.51 114.97 3df2 n ALA 98 Ca 0.29 -2.73 -0.20 0.00 0.00 0.00 0.00 53.44 50.80 3df2 n ALA 98 Cb 1.10 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 19.81 3df2 n ALA 98 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3df2 n ASN 99 N -0.20 -1.05 0.00 0.00 0.23 -1.19 -4.71 115.26 108.35 3df2 n ASN 99 Ca 0.11 -0.62 0.00 0.00 -0.53 0.00 0.00 54.58 53.54 3df2 n ASN 99 Cb 0.95 -0.75 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 3df2 n ASN 99 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3df2 n ILE 100 N -2.84 0.00 0.01 1.53 3.06 -1.21 -5.00 119.36 114.91 3df2 n ILE 100 Ca -0.09 -0.00 -0.00 0.00 -2.50 0.00 0.00 62.75 60.15 3df2 n ILE 100 Cb 0.29 0.36 -0.00 0.00 0.54 0.00 0.00 39.64 40.83 3df2 n ILE 100 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3df2 n ILE 101 N -0.03 0.26 0.00 9.51 2.08 -1.25 -4.91 119.36 125.02 3df2 n ILE 101 Ca 0.00 0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.41 3df2 n ILE 101 Cb 0.00 -1.14 0.00 0.00 -0.75 0.00 0.00 39.64 37.75 3df2 n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3df2 n GLY 102 N 3.42 4.34 0.12 7.39 0.00 -1.26 -4.85 105.19 114.35 3df2 n GLY 102 Ca -0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 3df2 n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3df2 h ILE 103 N 0.00 0.90 0.00 -0.61 2.04 -1.98 -2.20 117.51 115.66 3df2 h ILE 103 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3df2 h ILE 103 Cb 0.00 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3df2 h ILE 103 CO 0.00 0.03 0.00 1.56 0.00 0.00 0.00 178.15 179.74 3df2 h GLN 104 N 0.16 0.00 -7.23 2.37 1.08 -1.95 -3.44 115.11 106.09 3df2 h GLN 104 Ca 0.11 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.79 3df2 h GLN 104 Cb 0.11 0.00 0.17 0.00 -0.05 0.00 0.00 27.48 27.71 3df2 h GLN 104 CO -0.14 0.00 0.31 0.42 -0.95 0.00 0.00 178.83 178.47 3df2 s ILE 105 N -3.55 2.32 0.00 2.54 -1.09 -0.83 -4.90 121.20 115.69 3df2 s ILE 105 Ca -0.00 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 3df2 s ILE 105 Cb 0.08 -2.45 0.00 0.00 -1.58 0.00 0.00 42.46 38.51 3df2 s ILE 105 CO 0.31 -0.11 0.00 -0.62 -1.23 0.00 0.00 174.94 173.29 3df2 n GLU 106 N -3.47 0.00 -3.75 2.79 1.02 -0.88 -5.03 120.64 111.32 3df2 n GLU 106 Ca 0.12 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.13 3df2 n GLU 106 Cb 0.51 -0.15 -0.09 0.00 -0.02 0.00 0.00 31.44 31.69 3df2 n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3df2 s PHE 107 N 0.00 -0.27 -0.17 -0.32 0.08 -1.24 -5.02 117.98 111.04 3df2 s PHE 107 Ca 0.00 0.55 -0.31 0.00 0.12 0.00 0.00 56.93 57.29 3df2 s PHE 107 Cb 0.00 0.12 0.14 0.00 -0.57 0.00 0.00 43.02 42.71 3df2 s PHE 107 CO 0.00 -0.31 1.11 0.00 -0.10 0.00 0.00 175.22 175.92 3df2 s ALA 108 N -0.72 -1.99 -0.04 5.36 0.00 -1.26 0.13 121.76 123.24 3df2 s ALA 108 Ca -0.08 1.58 0.06 0.00 0.00 0.00 0.00 51.96 53.51 3df2 s ALA 108 Cb -0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3df2 s ALA 108 CO 0.03 -0.41 -0.21 0.15 0.00 0.00 0.00 175.76 175.32 3df2 s LYS 109 N -1.66 1.97 0.17 0.00 1.02 -1.26 -3.36 119.74 116.62 3df2 s LYS 109 Ca 0.04 -0.75 -0.22 0.00 0.02 0.00 0.00 55.97 55.07 3df2 s LYS 109 Cb -0.01 -1.76 0.07 0.00 -0.52 0.00 0.00 37.83 35.61 3df2 s LYS 109 CO -0.03 0.36 1.61 0.28 -0.92 0.00 0.00 175.35 176.65 3df2 h VAL 110 N 4.96 0.29 -3.32 3.17 2.07 -1.75 -2.26 116.25 119.41 3df2 h VAL 110 Ca -0.35 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.50 3df2 h VAL 110 Cb 1.16 0.29 -0.16 0.00 -1.52 0.00 0.00 31.29 31.06 3df2 h VAL 110 CO 0.48 0.00 -1.07 -0.38 0.02 0.00 0.00 177.57 176.62 3df2 n ILE 111 N -5.41 -0.56 -1.33 4.57 2.08 -1.26 -3.39 119.36 114.07 3df2 n ILE 111 Ca 0.01 0.73 -0.12 0.00 0.56 0.00 0.00 62.75 63.94 3df2 n ILE 111 Cb 0.32 -1.19 0.09 0.00 -0.75 0.00 0.00 39.64 38.11 3df2 n ILE 111 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3df2 n LEU 112 N -4.23 0.00 0.00 1.39 7.94 -1.26 -3.96 117.00 116.88 3df2 n LEU 112 Ca -0.07 -0.59 0.00 0.00 -1.11 0.00 0.00 56.01 54.24 3df2 n LEU 112 Cb 0.65 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 44.19 3df2 n LEU 112 CO 0.03 -0.93 0.00 0.00 -1.11 0.00 0.00 177.39 175.38 3df2 n ALA 113 N -3.38 0.00 0.00 1.96 0.00 -1.26 -3.69 120.51 114.14 3df2 n ALA 113 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3df2 n ALA 113 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3df2 n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df2 n GLY 114 N 0.00 1.81 3.41 0.00 0.00 -1.26 -4.86 105.19 104.29 3df2 n GLY 114 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3df2 n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3df2 s GLU 115 N -0.02 1.52 0.00 1.61 8.01 -1.26 -4.94 118.70 123.62 3df2 s GLU 115 Ca 0.00 -1.55 0.00 0.00 0.01 0.00 0.00 54.97 53.43 3df2 s GLU 115 Cb 0.00 0.38 0.00 0.00 -4.31 0.00 0.00 34.13 30.20 3df2 s GLU 115 CO 0.00 -0.59 0.00 1.55 0.01 0.00 0.00 175.26 176.23 3df2 n VAL 116 N -0.40 0.00 0.00 2.63 3.14 -1.26 -4.41 118.33 118.03 3df2 n VAL 116 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 3df2 n VAL 116 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.41 3df2 n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 3df2 n THR 117 N 0.00 0.00 -1.74 1.55 -1.04 -1.26 -4.67 114.28 107.12 3df2 n THR 117 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 3df2 n THR 117 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3df2 n THR 117 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3df2 s THR 118 N 0.00 2.88 -0.51 12.58 -1.32 -1.26 -4.79 115.64 123.22 3df2 s THR 118 Ca 0.00 0.14 -0.26 0.00 -1.21 0.00 0.00 61.69 60.36 3df2 s THR 118 Cb 0.00 -3.09 -0.07 0.00 -1.51 0.00 0.00 72.50 67.83 3df2 s THR 118 CO 0.00 -0.01 2.36 -2.84 -2.21 0.00 0.00 174.62 171.93 3df2 s PRO 119 N 3.59 2.12 0.27 7.08 0.02 -1.24 -4.94 135.00 141.91 3df2 s PRO 119 Ca 0.83 1.30 0.10 0.00 0.02 0.00 0.00 61.00 63.26 3df2 s PRO 119 Cb -0.43 -4.58 -0.05 0.00 0.02 0.00 0.00 34.50 29.47 3df2 s PRO 119 CO 0.38 -3.28 -0.06 0.08 -0.33 0.00 0.00 177.00 173.78 3df2 s VAL 120 N 12.05 3.12 0.47 3.83 1.01 -1.26 -4.85 120.40 134.78 3df2 s VAL 120 Ca 0.95 -2.07 0.08 0.00 0.00 0.00 0.00 61.98 60.93 3df2 s VAL 120 Cb -0.16 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.56 3df2 s VAL 120 CO 0.25 -0.38 0.48 0.42 0.00 0.00 0.00 175.10 175.87 3df2 s THR 121 N -2.39 2.39 -0.03 3.92 -4.23 -1.26 -3.50 115.64 110.54 3df2 s THR 121 Ca 0.31 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 3df2 s THR 121 Cb -0.06 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.14 3df2 s THR 121 CO 0.18 0.00 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.55 3df2 s VAL 122 N -2.56 0.34 -0.09 2.29 1.01 -1.25 0.93 120.40 121.06 3df2 s VAL 122 Ca 0.48 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.44 3df2 s VAL 122 Cb -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 3df2 s VAL 122 CO 0.29 0.16 -0.20 -0.60 0.00 0.00 0.00 175.10 174.75 3df2 s ARG 123 N 0.66 2.94 -0.58 2.72 3.00 0.12 -3.26 118.95 124.56 3df2 s ARG 123 Ca -0.07 -0.81 -0.20 0.00 -1.00 0.00 0.00 55.73 53.65 3df2 s ARG 123 Cb -0.11 -2.37 0.03 0.00 0.00 0.00 0.00 34.95 32.51 3df2 s ARG 123 CO -0.01 0.30 0.64 0.41 0.00 0.00 0.00 175.30 176.65 3df2 n GLY 124 N 3.21 -0.70 3.69 8.12 0.00 -1.26 -2.92 105.19 115.33 3df2 n GLY 124 Ca -0.18 0.96 0.01 0.00 0.00 0.00 0.00 46.02 46.81 3df2 n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3df2 s LEU 125 N -3.32 -0.06 0.00 0.99 0.20 -1.26 -4.24 118.68 111.00 3df2 s LEU 125 Ca 0.21 -0.19 0.02 0.00 0.69 0.00 0.00 54.13 54.87 3df2 s LEU 125 Cb -0.03 1.48 0.02 0.00 -0.43 0.00 0.00 46.19 47.23 3df2 s LEU 125 CO 0.84 -0.38 0.20 0.54 -0.29 0.00 0.00 176.35 177.26 3df2 n ARG 126 N -0.55 0.99 -3.65 1.98 3.00 -1.21 -4.58 116.66 112.64 3df2 n ARG 126 Ca -0.07 -0.94 -0.02 0.00 -0.01 0.00 0.00 57.85 56.81 3df2 n ARG 126 Cb 0.62 -0.02 -0.06 0.00 0.00 0.00 0.00 32.46 33.00 3df2 n ARG 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3df2 s VAL 127 N -0.26 0.00 0.65 1.55 0.11 -1.26 -2.59 120.40 118.60 3df2 s VAL 127 Ca 0.15 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.07 3df2 s VAL 127 Cb -0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 3df2 s VAL 127 CO 0.10 0.00 1.06 0.42 -3.33 0.00 0.00 175.10 173.35 3df2 s THR 128 N -0.43 3.80 -0.25 5.04 -4.23 -1.26 -4.85 115.64 113.45 3df2 s THR 128 Ca 0.08 0.74 0.28 0.00 -1.18 0.00 0.00 61.69 61.61 3df2 s THR 128 Cb -0.03 -3.33 0.31 0.00 1.34 0.00 0.00 72.50 70.79 3df2 s THR 128 CO -0.13 -0.62 1.83 0.07 -0.54 0.00 0.00 174.62 175.23 3df2 h LYS 129 N -0.10 0.00 0.00 3.99 2.10 -2.01 0.76 116.57 121.32 3df2 h LYS 129 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 3df2 h LYS 129 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3df2 h LYS 129 CO 0.56 0.00 -0.71 0.78 -2.00 0.00 0.00 179.45 178.09 3df2 h GLY 130 N 2.35 0.00 0.52 0.07 0.00 -1.99 -3.29 103.07 100.73 3df2 h GLY 130 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 3df2 h GLY 130 CO 0.00 0.00 -2.05 0.00 0.00 0.00 0.00 176.54 174.49 3df2 n ALA 131 N -2.01 1.32 0.11 3.60 0.00 -0.68 -3.26 120.51 119.59 3df2 n ALA 131 Ca 0.02 -0.89 -0.08 0.00 0.00 0.00 0.00 53.44 52.49 3df2 n ALA 131 Cb 0.50 -0.55 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 3df2 n ALA 131 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3df2 h ARG 132 N 0.02 -0.40 -0.20 0.00 2.43 -0.99 0.37 114.38 115.60 3df2 h ARG 132 Ca -0.42 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.83 3df2 h ARG 132 Cb 2.05 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.69 3df2 h ARG 132 CO 0.05 -0.27 0.15 0.00 -1.51 0.00 0.00 179.97 178.39 3df2 h ALA 133 N -1.35 2.19 0.35 2.80 0.00 -1.77 0.42 119.26 121.89 3df2 h ALA 133 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3df2 h ALA 133 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3df2 h ALA 133 CO -0.04 -0.25 -0.18 0.00 0.00 0.00 0.00 179.25 178.78 3df2 h ALA 134 N 1.90 -0.48 -0.05 0.00 0.00 -1.23 0.16 119.26 119.56 3df2 h ALA 134 Ca 0.10 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3df2 h ALA 134 Cb 0.39 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3df2 h ALA 134 CO -0.00 -0.77 -0.69 0.97 0.00 0.00 0.00 179.25 178.76 3df2 h ILE 135 N -0.49 1.42 -0.07 0.00 2.10 0.51 -2.70 117.51 118.28 3df2 h ILE 135 Ca -0.05 -2.17 0.01 0.00 1.08 0.00 0.00 64.86 63.74 3df2 h ILE 135 Cb 0.38 2.14 -0.00 0.00 -1.09 0.00 0.00 36.82 38.24 3df2 h ILE 135 CO 0.07 0.64 0.05 -0.33 -1.08 0.00 0.00 178.15 177.50 3df2 h GLU 136 N 0.17 0.03 0.00 2.19 4.39 0.11 0.40 114.58 121.87 3df2 h GLU 136 Ca -0.02 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3df2 h GLU 136 Cb 1.23 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3df2 h GLU 136 CO 0.11 0.02 0.00 0.00 -1.16 0.00 0.00 179.01 177.98 3df2 h ALA 137 N 1.96 1.00 -2.50 3.43 0.00 -0.33 -3.15 119.26 119.67 3df2 h ALA 137 Ca 0.03 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.35 3df2 h ALA 137 Cb 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.48 3df2 h ALA 137 CO -0.00 0.00 -0.87 0.00 0.00 0.00 0.00 179.25 178.38 3df2 n ALA 138 N -1.96 3.02 -3.23 0.00 0.00 0.12 -4.94 120.51 113.52 3df2 n ALA 138 Ca -0.02 -3.60 -0.16 0.00 0.00 0.00 0.00 53.44 49.66 3df2 n ALA 138 Cb 0.07 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 3df2 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df2 n GLY 139 N 2.34 -0.10 0.00 0.00 0.00 -1.19 -3.60 105.19 102.64 3df2 n GLY 139 Ca 0.26 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3df2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df2 n GLY 140 N -1.45 -2.92 3.62 -0.02 0.00 -0.17 -4.12 105.19 100.14 3df2 n GLY 140 Ca -0.09 -1.24 -0.03 0.00 0.00 0.00 0.00 46.02 44.66 3df2 n GLY 140 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3df2 s LYS 141 N 0.00 0.19 0.10 1.61 2.36 -1.23 -4.78 119.74 117.99 3df2 s LYS 141 Ca 0.00 -0.07 0.00 0.00 -2.55 0.00 0.00 55.97 53.35 3df2 s LYS 141 Cb 0.00 0.09 -0.04 0.00 -1.05 0.00 0.00 37.83 36.83 3df2 s LYS 141 CO 0.00 -0.08 -0.03 0.42 1.55 0.00 0.00 175.35 177.21 3df2 s ILE 142 N -2.26 0.46 0.00 5.43 1.09 -1.26 -3.92 121.20 120.74 3df2 s ILE 142 Ca 0.10 -1.90 0.00 0.00 -1.10 0.00 0.00 60.65 57.76 3df2 s ILE 142 Cb -0.01 -1.74 0.00 0.00 -1.06 0.00 0.00 42.46 39.65 3df2 s ILE 142 CO -0.04 -0.81 0.00 -1.84 -0.10 0.00 0.00 174.94 172.16 3df2 n GLU 143 N -0.03 0.00 -0.69 2.79 0.00 -1.20 -4.83 120.64 116.69 3df2 n GLU 143 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.05 3df2 n GLU 143 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.06 3df2 n GLU 143 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52