#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n GLU 2 N 0.00 1.40 -3.94 2.12 1.02 -1.26 0.17 120.64 120.15 3df2 n GLU 2 Ca 0.00 0.51 -0.31 0.00 -0.02 0.00 0.00 57.16 57.34 3df2 n GLU 2 Cb 0.00 -2.22 -0.15 0.00 -0.02 0.00 0.00 31.44 29.05 3df2 n GLU 2 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3df2 s LEU 3 N 2.80 3.45 1.03 -4.62 1.98 -1.26 -4.67 118.68 117.39 3df2 s LEU 3 Ca 0.93 -1.69 -0.18 0.00 -2.89 0.00 0.00 54.13 50.30 3df2 s LEU 3 Cb -0.95 -1.32 -0.02 0.00 0.66 0.00 0.00 46.19 44.56 3df2 s LEU 3 CO 0.57 -0.33 -0.33 0.52 -1.89 0.00 0.00 176.35 174.90 3df2 n VAL 4 N 4.52 0.00 -1.40 1.68 0.31 -1.26 0.16 118.33 122.33 3df2 n VAL 4 Ca -0.04 -0.25 0.07 0.00 -0.01 0.00 0.00 64.34 64.12 3df2 n VAL 4 Cb 0.43 -0.39 0.13 0.00 -0.91 0.00 0.00 33.84 33.10 3df2 n VAL 4 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3df2 n LEU 5 N 0.33 2.03 0.00 7.52 0.00 -1.26 -4.46 117.00 121.16 3df2 n LEU 5 Ca 0.01 -2.93 0.00 0.00 0.00 0.00 0.00 56.01 53.09 3df2 n LEU 5 Cb 0.61 -0.37 0.00 0.00 0.00 0.00 0.00 43.42 43.66 3df2 n LEU 5 CO 0.50 0.80 0.00 1.17 0.00 0.00 0.00 177.39 179.86 3df2 n LYS 6 N -1.06 0.00 0.00 1.96 4.81 -1.25 -3.50 118.16 119.12 3df2 n LYS 6 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3df2 n LYS 6 Cb 0.69 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.74 3df2 n LYS 6 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3df2 n ASP 7 N 4.85 0.00 -0.20 3.14 5.68 -1.26 -0.46 116.55 128.29 3df2 n ASP 7 Ca 0.00 0.17 0.30 0.00 -0.50 0.00 0.00 54.79 54.76 3df2 n ASP 7 Cb 0.00 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 40.63 3df2 n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3df2 h ALA 8 N -1.67 2.85 -5.64 2.12 0.00 -1.97 -3.45 119.26 111.51 3df2 h ALA 8 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 3df2 h ALA 8 Cb 0.00 0.07 0.17 0.00 0.00 0.00 0.00 17.79 18.03 3df2 h ALA 8 CO 0.00 -1.43 -0.85 0.94 0.00 0.00 0.00 179.25 177.91 3df2 n GLN 9 N -3.69 -3.04 0.00 0.00 -0.06 0.39 -4.93 117.38 106.05 3df2 n GLN 9 Ca 0.21 0.79 0.00 0.00 -2.00 0.00 0.00 57.00 56.00 3df2 n GLN 9 Cb 1.24 -5.56 0.00 0.00 -4.06 0.00 0.00 30.24 21.86 3df2 n GLN 9 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3df2 n SER 10 N -3.12 0.35 -0.66 1.69 7.64 -1.26 -4.93 113.62 113.33 3df2 n SER 10 Ca -0.13 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.09 3df2 n SER 10 Cb 0.63 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 3df2 n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3df2 n ALA 11 N -0.53 0.00 0.00 -0.43 0.00 -1.26 -4.80 120.51 113.48 3df2 n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df2 n ALA 11 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3df2 n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3df2 n LEU 12 N 0.00 0.00 -2.68 0.00 -0.00 0.42 -4.40 117.00 110.34 3df2 n LEU 12 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 3df2 n LEU 12 Cb 0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 43.42 43.43 3df2 n LEU 12 CO 0.00 -0.04 -0.59 0.41 -0.00 0.00 0.00 177.39 177.17 3df2 n THR 13 N -1.45-11.78 -2.78 1.96 -1.04 -1.22 -4.72 114.28 93.25 3df2 n THR 13 Ca 0.00 2.34 0.00 0.00 -2.04 0.00 0.00 64.05 64.35 3df2 n THR 13 Cb 0.00 -6.35 0.00 0.00 -1.82 0.00 0.00 70.33 62.16 3df2 n THR 13 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3df2 n VAL 14 N 1.49 0.00 -1.64 12.58 0.24 0.13 -4.73 118.33 126.39 3df2 n VAL 14 Ca -0.28 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.67 3df2 n VAL 14 Cb 0.44 -0.49 0.07 0.00 -1.47 0.00 0.00 33.84 32.39 3df2 n VAL 14 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3df2 s SER 15 N -0.26 4.54 -0.00 -1.34 0.15 -1.26 -1.21 113.70 114.31 3df2 s SER 15 Ca 0.00 2.40 0.07 0.00 0.70 0.00 0.00 55.95 59.12 3df2 s SER 15 Cb 0.00 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.63 3df2 s SER 15 CO 0.00 -2.03 0.30 1.21 1.20 0.00 0.00 173.24 173.91 3df2 n GLU 16 N -2.30 4.04 0.02 5.44 2.13 -1.26 -3.52 120.64 125.19 3df2 n GLU 16 Ca 0.14 -0.01 0.12 0.00 0.66 0.00 0.00 57.16 58.07 3df2 n GLU 16 Cb 0.50 -0.89 0.50 0.00 0.27 0.00 0.00 31.44 31.82 3df2 n GLU 16 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3df2 n THR 17 N -1.24 0.41 0.00 6.31 -1.04 -1.26 -1.66 114.28 115.79 3df2 n THR 17 Ca 0.01 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3df2 n THR 17 Cb 0.13 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 3df2 n THR 17 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3df2 n THR 18 N -1.64 0.00 0.07 12.58 -2.24 -1.26 -4.41 114.28 117.38 3df2 n THR 18 Ca 0.06 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.82 3df2 n THR 18 Cb 0.29 -1.34 0.15 0.00 -2.10 0.00 0.00 70.33 67.34 3df2 n THR 18 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3df2 n PHE 19 N -2.91 1.12 -0.03 4.78 3.72 -1.23 -3.59 117.46 119.31 3df2 n PHE 19 Ca 0.00 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 3df2 n PHE 19 Cb 0.48 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3df2 n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3df2 n GLY 20 N 0.11 0.78 3.29 1.37 0.00 -0.67 -4.80 105.19 105.27 3df2 n GLY 20 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3df2 n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3df2 n ARG 21 N 0.00 -0.04 -3.45 1.61 3.00 -1.23 -4.98 116.66 111.57 3df2 n ARG 21 Ca 0.00 0.02 -0.30 0.00 -0.00 0.00 0.00 57.85 57.57 3df2 n ARG 21 Cb 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 32.46 30.89 3df2 n ARG 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3df2 s ASP 22 N -1.51 6.50 -1.06 6.15 1.11 -1.26 -4.67 116.67 121.93 3df2 s ASP 22 Ca 0.54 0.73 -0.23 0.00 0.18 0.00 0.00 52.55 53.77 3df2 s ASP 22 Cb -0.26 -2.15 -0.03 0.00 1.07 0.00 0.00 42.92 41.55 3df2 s ASP 22 CO 0.70 -0.10 1.85 0.12 1.18 0.00 0.00 175.17 178.92 3df2 s PHE 23 N -1.91 2.07 -1.26 4.23 5.36 -1.26 -4.65 117.98 120.56 3df2 s PHE 23 Ca 0.44 0.10 -0.15 0.00 -0.96 0.00 0.00 56.93 56.37 3df2 s PHE 23 Cb -0.11 -4.20 -0.04 0.00 -0.34 0.00 0.00 43.02 38.32 3df2 s PHE 23 CO 0.26 -1.59 2.26 -1.71 -1.46 0.00 0.00 175.22 172.98 3df2 n ASN 24 N 12.75 4.40 -0.28 6.13 4.05 -1.26 -4.80 115.26 136.26 3df2 n ASN 24 Ca 0.42 -2.71 -0.06 0.00 0.45 0.00 0.00 54.58 52.68 3df2 n ASN 24 Cb 0.47 -1.45 -0.05 0.00 1.23 0.00 0.00 39.78 39.98 3df2 n ASN 24 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 3df2 n GLU 25 N 5.76 -0.27 -0.41 1.20 2.13 -1.26 0.74 120.64 128.53 3df2 n GLU 25 Ca 0.55 1.01 0.34 0.00 0.66 0.00 0.00 57.16 59.71 3df2 n GLU 25 Cb 0.34 -1.48 0.62 0.00 0.27 0.00 0.00 31.44 31.19 3df2 n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3df2 h ALA 26 N 0.43 2.59 0.02 4.31 0.00 -2.00 -0.70 119.26 123.91 3df2 h ALA 26 Ca 0.13 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3df2 h ALA 26 Cb 0.29 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3df2 h ALA 26 CO -0.63 -1.19 -0.01 1.25 0.00 0.00 0.00 179.25 178.67 3df2 h LEU 27 N 0.14 -0.02 -1.07 0.00 6.46 -0.07 -3.07 115.31 117.67 3df2 h LEU 27 Ca 0.78 0.00 0.37 0.00 -0.12 0.00 0.00 57.88 58.91 3df2 h LEU 27 Cb 2.35 0.01 -0.15 0.00 -0.73 0.00 0.00 40.66 42.13 3df2 h LEU 27 CO -0.43 0.01 0.61 -0.37 -0.62 0.00 0.00 178.44 177.65 3df2 h VAL 28 N -0.09 0.19 0.87 1.05 -1.51 -1.30 0.11 116.25 115.57 3df2 h VAL 28 Ca -0.00 -0.07 -0.04 0.00 -1.23 0.00 0.00 66.70 65.36 3df2 h VAL 28 Cb 0.02 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.16 3df2 h VAL 28 CO 0.00 0.04 -0.48 -0.74 -1.23 0.00 0.00 177.57 175.16 3df2 h HIS 29 N 0.19 -1.27 -0.82 5.19 -0.00 -1.26 1.06 115.15 118.25 3df2 h HIS 29 Ca 0.78 -0.02 0.24 0.00 -0.00 0.00 0.00 60.37 61.37 3df2 h HIS 29 Cb 1.98 0.44 -0.03 0.00 -0.00 0.00 0.00 27.41 29.80 3df2 h HIS 29 CO -0.01 -0.74 0.72 0.37 -0.00 0.00 0.00 177.93 178.27 3df2 h GLN 30 N -1.25 0.00 0.00 5.26 4.15 -0.72 0.11 115.11 122.67 3df2 h GLN 30 Ca -0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.30 3df2 h GLN 30 Cb 0.98 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.67 3df2 h GLN 30 CO 0.15 0.00 -0.10 0.28 -1.93 0.00 0.00 178.83 177.23 3df2 h VAL 31 N 0.00 0.00 -0.78 2.39 2.07 -0.23 -2.99 116.25 116.70 3df2 h VAL 31 Ca 0.39 -0.82 0.18 0.00 0.82 0.00 0.00 66.70 67.27 3df2 h VAL 31 Cb 1.82 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.46 3df2 h VAL 31 CO -0.00 0.00 0.08 -0.37 0.02 0.00 0.00 177.57 177.29 3df2 h VAL 32 N -0.82 0.35 -0.48 2.57 -1.51 0.19 0.56 116.25 117.12 3df2 h VAL 32 Ca 0.00 -0.05 0.03 0.00 -1.23 0.00 0.00 66.70 65.45 3df2 h VAL 32 Cb 0.10 0.20 -0.04 0.00 -2.13 0.00 0.00 31.29 29.42 3df2 h VAL 32 CO 0.00 0.03 0.26 0.58 -1.23 0.00 0.00 177.57 177.21 3df2 h VAL 33 N 0.15 1.00 0.35 7.19 2.07 -0.96 1.19 116.25 127.23 3df2 h VAL 33 Ca 0.44 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 3df2 h VAL 33 Cb 0.81 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3df2 h VAL 33 CO -0.64 0.09 -0.46 0.00 0.02 0.00 0.00 177.57 176.58 3df2 h ALA 34 N 1.24 -0.97 -0.57 1.67 0.00 0.15 0.62 119.26 121.39 3df2 h ALA 34 Ca 0.20 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3df2 h ALA 34 Cb 0.07 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3df2 h ALA 34 CO -0.12 -1.09 0.38 -0.92 0.00 0.00 0.00 179.25 177.50 3df2 h TYR 35 N -0.85 0.59 0.20 0.00 5.03 -0.39 -2.23 116.97 119.32 3df2 h TYR 35 Ca -0.03 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 3df2 h TYR 35 Cb 0.78 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.86 3df2 h TYR 35 CO -0.29 0.33 -0.16 0.00 -1.32 0.00 0.00 178.16 176.72 3df2 h ALA 36 N 1.68 -0.94 -3.00 1.82 0.00 0.32 -3.37 119.26 115.77 3df2 h ALA 36 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3df2 h ALA 36 Cb 0.19 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3df2 h ALA 36 CO -0.07 -0.94 0.00 0.00 0.00 0.00 0.00 179.25 178.24 3df2 n ALA 37 N -2.37 0.00 0.00 0.00 0.00 0.20 -3.65 120.51 114.69 3df2 n ALA 37 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3df2 n ALA 37 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 3df2 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df2 n GLY 38 N 2.11 0.79 0.00 0.00 0.00 -1.12 -4.26 105.19 102.71 3df2 n GLY 38 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3df2 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df2 n ALA 39 N 0.00 1.99 -0.52 4.61 0.00 -1.24 -4.74 120.51 120.60 3df2 n ALA 39 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 3df2 n ALA 39 Cb 0.00 -1.26 0.27 0.00 0.00 0.00 0.00 19.45 18.46 3df2 n ALA 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3df2 s ARG 40 N -2.30 -1.90 -0.14 0.00 1.81 -1.26 -5.06 118.95 110.10 3df2 s ARG 40 Ca 0.20 0.42 -0.04 0.00 -1.72 0.00 0.00 55.73 54.59 3df2 s ARG 40 Cb 0.11 -1.47 0.07 0.00 -0.45 0.00 0.00 34.95 33.20 3df2 s ARG 40 CO 0.22 -4.27 0.18 -1.14 -0.68 0.00 0.00 175.30 169.61 3df2 s GLN 41 N -4.82 0.10 0.00 3.54 0.74 -1.26 -4.98 119.66 112.99 3df2 s GLN 41 Ca 0.69 0.34 0.00 0.00 0.05 0.00 0.00 55.36 56.44 3df2 s GLN 41 Cb -0.18 -0.85 0.00 0.00 1.10 0.00 0.00 33.01 33.08 3df2 s GLN 41 CO 0.61 -0.49 0.00 0.41 -0.55 0.00 0.00 175.29 175.27 3df2 n GLY 42 N 5.32 -0.61 3.53 2.59 0.00 -1.26 -4.85 105.19 109.91 3df2 n GLY 42 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3df2 n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3df2 n THR 43 N 0.00 -3.43 -5.13 2.61 -2.24 -1.26 -4.66 114.28 100.17 3df2 n THR 43 Ca 0.00 0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.51 3df2 n THR 43 Cb 0.00 -3.11 -0.17 0.00 -2.10 0.00 0.00 70.33 64.95 3df2 n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3df2 s ARG 44 N -3.26 2.75 0.00 -0.78 1.81 -1.26 -4.94 118.95 113.26 3df2 s ARG 44 Ca 0.23 -0.81 0.00 0.00 -1.72 0.00 0.00 55.73 53.44 3df2 s ARG 44 Cb -0.02 -2.13 0.00 0.00 -0.45 0.00 0.00 34.95 32.35 3df2 s ARG 44 CO 0.84 0.19 0.00 0.00 -0.68 0.00 0.00 175.30 175.66 3df2 n ALA 45 N 3.46 0.00 -0.96 2.13 0.00 -1.26 -4.10 120.51 119.78 3df2 n ALA 45 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3df2 n ALA 45 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3df2 n ALA 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3df2 n GLN 46 N 0.00 -2.71 -3.64 0.00 1.13 -1.26 -4.52 117.38 106.39 3df2 n GLN 46 Ca 0.00 2.03 -0.19 0.00 -1.94 0.00 0.00 57.00 56.91 3df2 n GLN 46 Cb 0.00 -2.33 -0.16 0.00 0.11 0.00 0.00 30.24 27.86 3df2 n GLN 46 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3df2 s LYS 47 N -4.68 0.04 1.19 -1.09 1.02 -1.26 -4.79 119.74 110.16 3df2 s LYS 47 Ca 0.00 0.40 -0.15 0.00 0.02 0.00 0.00 55.97 56.24 3df2 s LYS 47 Cb 0.00 -0.64 0.29 0.00 -0.52 0.00 0.00 37.83 36.96 3df2 s LYS 47 CO 0.00 -0.40 1.03 0.95 -0.92 0.00 0.00 175.35 176.00 3df2 s THR 48 N 2.26 1.83 -2.00 2.17 -4.23 -1.25 -4.13 115.64 110.28 3df2 s THR 48 Ca 0.04 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.57 3df2 s THR 48 Cb -0.13 -2.19 0.06 0.00 1.34 0.00 0.00 72.50 71.58 3df2 s THR 48 CO -0.07 0.00 0.44 -2.11 -0.54 0.00 0.00 174.62 172.35 3df2 n ARG 49 N -4.92 0.13 -0.06 3.99 1.85 -1.08 -1.38 116.66 115.19 3df2 n ARG 49 Ca 0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.82 3df2 n ARG 49 Cb 0.56 -1.26 -0.05 0.00 -1.05 0.00 0.00 32.46 30.66 3df2 n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3df2 n ALA 50 N -0.76 1.80 -0.12 2.89 0.00 -1.26 -4.62 120.51 118.45 3df2 n ALA 50 Ca 0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 53.44 52.92 3df2 n ALA 50 Cb 0.01 0.24 0.19 0.00 0.00 0.00 0.00 19.45 19.89 3df2 n ALA 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3df2 h GLU 51 N -0.06 0.80 -6.53 0.00 5.08 -1.52 -3.44 114.58 108.91 3df2 h GLU 51 Ca -0.27 -0.18 -0.58 0.00 -1.00 0.00 0.00 59.36 57.33 3df2 h GLU 51 Cb 1.39 -0.11 0.17 0.00 0.50 0.00 0.00 28.75 30.70 3df2 h GLU 51 CO -0.06 0.75 -0.38 0.28 -1.00 0.00 0.00 179.01 178.61 3df2 n VAL 52 N -4.26 2.30 -3.09 3.13 0.31 -0.94 -4.91 118.33 110.87 3df2 n VAL 52 Ca 0.03 -0.49 -0.42 0.00 -0.01 0.00 0.00 64.34 63.45 3df2 n VAL 52 Cb 0.25 -0.70 -0.06 0.00 -0.91 0.00 0.00 33.84 32.41 3df2 n VAL 52 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3df2 s THR 53 N -1.72 4.85 0.00 2.52 -4.23 -1.26 -4.94 115.64 110.86 3df2 s THR 53 Ca 0.69 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 3df2 s THR 53 Cb -0.44 -4.12 0.00 0.00 1.34 0.00 0.00 72.50 69.28 3df2 s THR 53 CO 0.54 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 3df2 n GLY 54 N 4.75 3.54 3.47 3.99 0.00 -1.26 -5.05 105.19 114.64 3df2 n GLY 54 Ca -0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 3df2 n GLY 54 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3df2 s SER 55 N 1.97 -0.58 0.62 1.61 0.15 -1.26 -5.02 113.70 111.20 3df2 s SER 55 Ca 0.00 0.75 0.40 0.00 0.70 0.00 0.00 55.95 57.79 3df2 s SER 55 Cb 0.00 0.69 2.07 0.00 -1.71 0.00 0.00 66.02 67.06 3df2 s SER 55 CO 0.00 -0.48 2.25 1.23 1.20 0.00 0.00 173.24 177.44 3df2 h GLY 56 N 3.69 0.00 -7.18 9.45 0.00 -2.02 -3.42 103.07 103.58 3df2 h GLY 56 Ca -0.28 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.48 3df2 h GLY 56 CO 0.32 0.00 1.56 1.17 0.00 0.00 0.00 176.54 179.59 3df2 n LYS 57 N -3.17 0.93 -3.03 4.80 0.00 -1.26 -4.88 118.16 111.55 3df2 n LYS 57 Ca -0.02 0.16 -0.43 0.00 0.00 0.00 0.00 58.31 58.02 3df2 n LYS 57 Cb 0.14 -2.65 -0.06 0.00 0.00 0.00 0.00 35.03 32.46 3df2 n LYS 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3df2 s LYS 58 N 7.39 3.39 -0.85 1.64 3.01 -1.26 -4.70 119.74 128.36 3df2 s LYS 58 Ca 1.10 -0.18 -0.22 0.00 -1.01 0.00 0.00 55.97 55.66 3df2 s LYS 58 Cb -0.68 -3.93 -0.18 0.00 -1.01 0.00 0.00 37.83 32.03 3df2 s LYS 58 CO 0.41 -1.03 2.18 -2.30 0.51 0.00 0.00 175.35 175.12 3df2 n PRO 59 N 6.47 0.30 0.00 -1.68 -0.02 -1.26 -4.71 135.00 134.10 3df2 n PRO 59 Ca 0.01 -0.95 0.00 0.00 -2.02 0.00 0.00 63.50 60.54 3df2 n PRO 59 Cb 0.48 -3.23 0.00 0.00 -0.02 0.00 0.00 33.50 30.73 3df2 n PRO 59 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3df2 n TRP 60 N 16.42 0.00 -0.84 6.00 5.03 -1.26 -4.79 117.44 137.99 3df2 n TRP 60 Ca 0.44 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.97 3df2 n TRP 60 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.69 3df2 n TRP 60 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 3df2 n ARG 61 N 0.00 0.00 0.00 -0.99 0.00 -1.26 -4.95 116.66 109.46 3df2 n ARG 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3df2 n ARG 61 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 32.46 30.07 3df2 n ARG 61 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3df2 n GLN 62 N -2.58 0.00 -2.46 -0.14 7.27 -1.26 -3.86 117.38 114.35 3df2 n GLN 62 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 3df2 n GLN 62 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 3df2 n GLN 62 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3df2 s LYS 63 N 0.00 4.61 0.00 3.69 -0.14 -1.26 -3.64 119.74 123.00 3df2 s LYS 63 Ca 0.00 1.81 0.00 0.00 -1.36 0.00 0.00 55.97 56.42 3df2 s LYS 63 Cb 0.00 -3.21 0.00 0.00 -1.68 0.00 0.00 37.83 32.94 3df2 s LYS 63 CO 0.00 0.15 0.00 0.41 -0.76 0.00 0.00 175.35 175.15 3df2 n GLY 64 N 1.44 3.22 3.75 -3.33 0.00 -1.26 -5.06 105.19 103.95 3df2 n GLY 64 Ca 0.00 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 3df2 n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3df2 s THR 65 N -0.11 4.44 0.28 2.61 -1.32 -1.24 -4.98 115.64 115.32 3df2 s THR 65 Ca 0.00 1.88 0.01 0.00 -1.21 0.00 0.00 61.69 62.37 3df2 s THR 65 Cb 0.00 -4.23 0.27 0.00 -1.51 0.00 0.00 72.50 67.03 3df2 s THR 65 CO 0.00 0.42 1.81 1.23 -2.21 0.00 0.00 174.62 175.87 3df2 h GLY 66 N 5.01 1.59 -1.23 6.08 0.00 -1.96 -3.44 103.07 109.12 3df2 h GLY 66 Ca -0.45 -0.38 -0.50 0.00 0.00 0.00 0.00 47.33 46.00 3df2 h GLY 66 CO 0.69 0.10 0.16 1.09 0.00 0.00 0.00 176.54 178.59 3df2 s ARG 67 N -5.95 0.45 0.90 4.80 1.70 -1.26 -5.01 118.95 114.57 3df2 s ARG 67 Ca -0.12 1.39 -0.14 0.00 -0.47 0.00 0.00 55.73 56.40 3df2 s ARG 67 Cb 0.22 -1.67 0.14 0.00 -0.57 0.00 0.00 34.95 33.07 3df2 s ARG 67 CO 0.80 -2.97 1.22 0.00 -1.08 0.00 0.00 175.30 173.27 3df2 s ALA 68 N -2.58 2.26 0.00 7.88 0.00 -1.26 -5.00 121.76 123.06 3df2 s ALA 68 Ca 0.67 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.81 3df2 s ALA 68 Cb -0.24 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3df2 s ALA 68 CO 0.60 -2.12 0.00 0.54 0.00 0.00 0.00 175.76 174.77 3df2 n ARG 69 N -3.61 0.00 -0.60 0.00 5.12 -1.26 -4.97 116.66 111.33 3df2 n ARG 69 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 3df2 n ARG 69 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 3df2 n ARG 69 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3df2 n SER 70 N 0.00 -2.23 0.00 0.55 2.88 -1.26 -4.81 113.62 108.75 3df2 n SER 70 Ca 0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3df2 n SER 70 Cb 0.00 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 3df2 n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3df2 n GLY 71 N 0.06 1.00 3.63 0.46 0.00 -1.26 -4.73 105.19 104.36 3df2 n GLY 71 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3df2 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3df2 s SER 72 N 0.00 -0.54 0.00 1.61 0.15 -1.26 -4.59 113.70 109.07 3df2 s SER 72 Ca 0.00 0.85 0.06 0.00 0.70 0.00 0.00 55.95 57.56 3df2 s SER 72 Cb 0.00 1.24 0.28 0.00 -1.71 0.00 0.00 66.02 65.83 3df2 s SER 72 CO 0.00 -0.13 1.12 0.00 1.20 0.00 0.00 173.24 175.42 3df2 n ILE 73 N 3.80 1.25 1.16 6.45 3.06 -1.26 -0.08 119.36 133.74 3df2 n ILE 73 Ca -0.18 0.31 0.12 0.00 -2.50 0.00 0.00 62.75 60.50 3df2 n ILE 73 Cb 0.57 -1.21 0.22 0.00 0.54 0.00 0.00 39.64 39.76 3df2 n ILE 73 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3df2 n LYS 74 N -1.39 1.41 -1.68 9.51 5.02 -1.26 -4.82 118.16 124.94 3df2 n LYS 74 Ca 0.02 -1.04 -0.65 0.00 -2.02 0.00 0.00 58.31 54.62 3df2 n LYS 74 Cb 0.06 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.50 3df2 n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3df2 n SER 75 N 0.12 0.96 -0.39 4.39 2.88 0.89 -4.07 113.62 118.39 3df2 n SER 75 Ca 0.13 1.18 0.38 0.00 -1.33 0.00 0.00 58.87 59.22 3df2 n SER 75 Cb 0.44 -0.91 0.75 0.00 -0.75 0.00 0.00 64.21 63.74 3df2 n SER 75 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3df2 h PRO 76 N 4.58 0.03 -0.01 -1.46 0.11 -1.88 0.42 132.00 133.79 3df2 h PRO 76 Ca -0.46 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 3df2 h PRO 76 Cb 1.38 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.49 3df2 h PRO 76 CO 0.89 0.02 -0.27 0.82 -0.21 0.00 0.00 178.00 179.25 3df2 h ILE 77 N 0.03 1.52 -1.33 4.15 2.04 -1.87 -3.41 117.51 118.64 3df2 h ILE 77 Ca 0.64 -1.91 -0.71 0.00 1.00 0.00 0.00 64.86 63.88 3df2 h ILE 77 Cb 2.49 2.70 0.07 0.00 -0.74 0.00 0.00 36.82 41.34 3df2 h ILE 77 CO -0.04 0.53 0.01 0.79 0.00 0.00 0.00 178.15 179.44 3df2 n TRP 78 N -4.49 0.63 0.00 1.37 5.03 0.15 -4.88 117.44 115.25 3df2 n TRP 78 Ca -0.10 0.90 0.00 0.00 3.03 0.00 0.00 57.50 61.33 3df2 n TRP 78 Cb 0.51 -2.13 0.00 0.00 -1.03 0.00 0.00 31.31 28.66 3df2 n TRP 78 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 3df2 n ARG 79 N 1.52 0.00 -2.30 -0.99 0.00 -1.26 -4.50 116.66 109.13 3df2 n ARG 79 Ca 0.18 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.69 3df2 n ARG 79 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 32.46 32.48 3df2 n ARG 79 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3df2 s SER 80 N -1.26 6.01 0.43 6.15 1.04 -1.26 -4.83 113.70 119.98 3df2 s SER 80 Ca 0.00 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.37 3df2 s SER 80 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3df2 s SER 80 CO 0.00 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.82 3df2 n GLY 81 N -0.42 -4.37 0.00 7.32 0.00 -1.26 -4.81 105.19 101.66 3df2 n GLY 81 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3df2 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df2 n GLY 82 N -0.87 -0.95 2.78 -0.02 0.00 -1.26 -4.59 105.19 100.28 3df2 n GLY 82 Ca 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 3df2 n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3df2 n VAL 83 N 0.00-11.61 -0.10 1.61 0.31 -1.26 -2.64 118.33 104.64 3df2 n VAL 83 Ca 0.00 1.49 -0.03 0.00 -0.01 0.00 0.00 64.34 65.79 3df2 n VAL 83 Cb 0.00 -7.03 -0.02 0.00 -0.91 0.00 0.00 33.84 25.87 3df2 n VAL 83 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3df2 h THR 84 N 2.67 0.00 -2.91 2.52 2.02 -1.88 -3.06 112.91 112.28 3df2 h THR 84 Ca -0.00 0.00 -0.71 0.00 0.77 0.00 0.00 66.41 66.46 3df2 h THR 84 Cb 0.39 0.00 -0.35 0.00 -1.74 0.00 0.00 68.15 66.45 3df2 h THR 84 CO 0.14 0.00 0.06 0.49 0.37 0.00 0.00 175.52 176.58 3df2 n PHE 85 N -3.53 3.54 -1.52 3.16 3.72 -1.26 -4.75 117.46 116.82 3df2 n PHE 85 Ca 0.00 -3.67 -0.36 0.00 -0.05 0.00 0.00 57.45 53.37 3df2 n PHE 85 Cb 0.06 -1.04 -0.11 0.00 -0.94 0.00 0.00 39.48 37.45 3df2 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3df2 n ALA 86 N 1.63 0.54 -1.55 4.37 0.00 -1.15 -4.84 120.51 119.50 3df2 n ALA 86 Ca 0.25 -0.64 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 3df2 n ALA 86 Cb 0.37 -2.70 0.01 0.00 0.00 0.00 0.00 19.45 17.13 3df2 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df2 n ALA 87 N 12.70 -0.48 -2.33 0.00 0.00 -1.26 -4.81 120.51 124.32 3df2 n ALA 87 Ca 0.54 0.20 -0.18 0.00 0.00 0.00 0.00 53.44 54.01 3df2 n ALA 87 Cb 0.26 -1.96 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 3df2 n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3df2 s ARG 88 N -1.87 1.31 0.10 0.00 1.81 -1.26 -4.22 118.95 114.81 3df2 s ARG 88 Ca 0.64 -1.62 -0.36 0.00 -1.72 0.00 0.00 55.73 52.68 3df2 s ARG 88 Cb -0.58 -0.88 -0.17 0.00 -0.45 0.00 0.00 34.95 32.88 3df2 s ARG 88 CO 0.57 0.06 1.21 -2.30 -0.68 0.00 0.00 175.30 174.16 3df2 n PRO 89 N -0.38 0.92 -0.41 3.54 -0.02 -1.26 -4.69 135.00 132.71 3df2 n PRO 89 Ca -0.07 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3df2 n PRO 89 Cb 0.62 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3df2 n PRO 89 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3df2 n GLN 90 N 2.06 3.47 -2.82 -0.52 6.02 -1.26 -4.93 117.38 119.41 3df2 n GLN 90 Ca 0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.14 3df2 n GLN 90 Cb 0.19 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.46 3df2 n GLN 90 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3df2 s ASP 91 N 0.42 -1.32 0.00 1.08 2.15 -1.26 -4.08 116.67 113.66 3df2 s ASP 91 Ca 0.00 -1.42 0.00 0.00 0.43 0.00 0.00 52.55 51.56 3df2 s ASP 91 Cb 0.00 1.72 0.00 0.00 -0.30 0.00 0.00 42.92 44.34 3df2 s ASP 91 CO 0.00 -0.06 0.40 1.41 -0.17 0.00 0.00 175.17 176.75 3df2 n HIS 92 N 3.13 0.00 -2.53 -5.34 8.25 -1.26 -4.81 115.22 112.67 3df2 n HIS 92 Ca 0.16 -0.18 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 3df2 n HIS 92 Cb 0.57 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 3df2 n HIS 92 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3df2 s SER 93 N 0.72 7.11 0.21 0.41 0.01 -1.26 -2.80 113.70 118.10 3df2 s SER 93 Ca 0.00 1.74 0.00 0.00 1.31 0.00 0.00 55.95 59.00 3df2 s SER 93 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 3df2 s SER 93 CO 0.00 -0.53 0.00 0.00 0.41 0.00 0.00 173.24 173.12 3df2 n GLN 94 N 5.05 0.81 -0.01 12.44 6.02 -1.26 -4.99 117.38 135.44 3df2 n GLN 94 Ca 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.08 3df2 n GLN 94 Cb 0.47 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.72 3df2 n GLN 94 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3df2 n LYS 95 N -0.99 0.09 -2.92 -1.09 4.81 -1.26 -5.08 118.16 111.72 3df2 n LYS 95 Ca 0.00 0.04 -0.11 0.00 -0.87 0.00 0.00 58.31 57.37 3df2 n LYS 95 Cb 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 35.03 34.56 3df2 n LYS 95 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3df2 n VAL 96 N -3.00-10.22 -1.01 3.15 0.31 -1.26 -4.90 118.33 101.40 3df2 n VAL 96 Ca -0.02 0.88 -0.36 0.00 -0.01 0.00 0.00 64.34 64.82 3df2 n VAL 96 Cb 0.09 -6.77 0.05 0.00 -0.91 0.00 0.00 33.84 26.30 3df2 n VAL 96 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3df2 n ASN 97 N -0.18 -5.02 -0.24 4.52 6.94 -1.26 -4.58 115.26 115.43 3df2 n ASN 97 Ca 0.08 0.27 -0.07 0.00 -0.02 0.00 0.00 54.58 54.85 3df2 n ASN 97 Cb 0.45 -0.85 -0.02 0.00 -2.36 0.00 0.00 39.78 37.00 3df2 n ASN 97 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 3df2 h LYS 98 N -0.94 -0.16 -0.28 -3.83 3.64 -2.00 -1.89 116.57 111.10 3df2 h LYS 98 Ca -0.44 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.85 3df2 h LYS 98 Cb 1.32 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 3df2 h LYS 98 CO 0.28 -0.11 -0.24 0.87 -2.27 0.00 0.00 179.45 177.97 3df2 h LYS 99 N -0.17 0.55 0.00 1.90 1.57 -2.00 -1.94 116.57 116.48 3df2 h LYS 99 Ca 0.21 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3df2 h LYS 99 Cb 0.56 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3df2 h LYS 99 CO -0.74 0.75 0.00 -1.33 -0.57 0.00 0.00 179.45 177.55 3df2 n MET 100 N -4.12 0.15 -0.10 3.15 2.81 -0.76 -1.78 117.12 116.46 3df2 n MET 100 Ca -0.00 0.17 -0.20 0.00 -1.81 0.00 0.00 57.70 55.86 3df2 n MET 100 Cb 0.41 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.33 3df2 n MET 100 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 3df2 n TYR 101 N -1.36 0.80 -0.02 2.03 9.36 -0.76 -3.60 117.16 123.61 3df2 n TYR 101 Ca 0.06 0.35 -0.09 0.00 3.32 0.00 0.00 57.90 61.54 3df2 n TYR 101 Cb 0.14 -1.01 -0.03 0.00 -0.63 0.00 0.00 39.34 37.81 3df2 n TYR 101 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3df2 h ARG 102 N -1.00 -0.09 -0.81 2.98 2.47 -1.31 0.11 114.38 116.74 3df2 h ARG 102 Ca -0.34 0.01 0.23 0.00 -1.26 0.00 0.00 59.98 58.61 3df2 h ARG 102 Cb 1.22 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.52 3df2 h ARG 102 CO -0.21 -0.06 0.58 0.78 0.56 0.00 0.00 179.97 181.62 3df2 h GLY 103 N -0.09 0.11 0.47 0.04 0.00 -1.54 -1.66 103.07 100.40 3df2 h GLY 103 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 3df2 h GLY 103 CO -0.21 -0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.10 3df2 h ALA 104 N 1.60 -0.66 0.00 3.60 0.00 -0.88 -2.17 119.26 120.75 3df2 h ALA 104 Ca 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3df2 h ALA 104 Cb 1.48 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3df2 h ALA 104 CO -0.03 -0.61 0.00 1.28 0.00 0.00 0.00 179.25 179.89 3df2 n LEU 105 N -5.04 2.88 0.00 0.00 4.77 -0.58 -1.10 117.00 117.92 3df2 n LEU 105 Ca -0.08 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 3df2 n LEU 105 Cb 0.25 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3df2 n LEU 105 CO 0.19 0.54 0.00 0.29 -1.33 0.00 0.00 177.39 177.08 3df2 n LYS 106 N 1.67 0.00 0.14 3.23 5.02 -1.10 -4.55 118.16 122.57 3df2 n LYS 106 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 3df2 n LYS 106 Cb 0.28 -0.00 0.17 0.00 -0.02 0.00 0.00 35.03 35.45 3df2 n LYS 106 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3df2 h SER 107 N 0.00 0.00 0.40 4.39 0.87 -0.92 1.00 113.55 119.29 3df2 h SER 107 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3df2 h SER 107 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3df2 h SER 107 CO 0.00 0.61 -0.49 0.00 -0.53 0.00 0.00 176.83 176.42 3df2 n ILE 108 N -3.72 0.00 -0.10 2.23 3.06 -0.26 -3.11 119.36 117.45 3df2 n ILE 108 Ca -0.01 -0.03 -0.15 0.00 -2.50 0.00 0.00 62.75 60.06 3df2 n ILE 108 Cb 0.62 0.35 -0.05 0.00 0.54 0.00 0.00 39.64 41.10 3df2 n ILE 108 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3df2 n LEU 109 N -1.31 1.94 -0.25 9.51 7.94 -0.93 -4.23 117.00 129.67 3df2 n LEU 109 Ca 0.07 0.34 0.13 0.00 -1.11 0.00 0.00 56.01 55.44 3df2 n LEU 109 Cb 0.34 -0.77 0.41 0.00 0.53 0.00 0.00 43.42 43.93 3df2 n LEU 109 CO 0.34 -0.02 1.22 -1.28 -1.11 0.00 0.00 177.39 176.54 3df2 h SER 110 N -1.00 0.59 -0.48 1.96 0.87 0.95 0.27 113.55 116.71 3df2 h SER 110 Ca -0.21 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.47 3df2 h SER 110 Cb 1.17 -0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.98 3df2 h SER 110 CO -0.13 0.29 0.05 -0.08 -0.53 0.00 0.00 176.83 176.44 3df2 h GLU 111 N 0.63 0.17 -0.78 2.24 4.22 -1.71 0.84 114.58 120.18 3df2 h GLU 111 Ca 0.44 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.90 3df2 h GLU 111 Cb 0.78 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 3df2 h GLU 111 CO -0.19 0.11 0.50 -0.07 -2.18 0.00 0.00 179.01 177.18 3df2 h LEU 112 N 0.18 0.84 0.00 1.64 3.38 -1.13 0.37 115.31 120.58 3df2 h LEU 112 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3df2 h LEU 112 Cb 0.34 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3df2 h LEU 112 CO -0.36 0.59 0.00 0.52 0.09 0.00 0.00 178.44 179.28 3df2 n VAL 113 N -4.59 0.00 -0.50 1.22 0.31 0.23 -0.65 118.33 114.35 3df2 n VAL 113 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3df2 n VAL 113 Cb 0.07 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 3df2 n VAL 113 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3df2 n ARG 114 N -0.66 1.57 -1.40 5.55 1.74 0.12 -4.74 116.66 118.84 3df2 n ARG 114 Ca 0.03 -1.05 0.02 0.00 -0.77 0.00 0.00 57.85 56.08 3df2 n ARG 114 Cb 0.01 -0.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 3df2 n ARG 114 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3df2 n GLN 115 N -0.28 0.00 -1.10 5.56 6.02 0.17 -4.98 117.38 122.77 3df2 n GLN 115 Ca 0.00 -1.82 -0.06 0.00 -0.01 0.00 0.00 57.00 55.12 3df2 n GLN 115 Cb 0.38 0.08 -0.02 0.00 1.02 0.00 0.00 30.24 31.69 3df2 n GLN 115 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3df2 n ASP 116 N 0.41 -1.65 -0.18 1.08 5.68 -1.08 -4.71 116.55 116.09 3df2 n ASP 116 Ca 0.00 0.14 0.14 0.00 -0.50 0.00 0.00 54.79 54.57 3df2 n ASP 116 Cb 1.07 -1.76 0.62 0.00 -1.14 0.00 0.00 41.12 39.90 3df2 n ASP 116 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3df2 n ARG 117 N -1.26 0.93 -4.00 0.11 1.74 -1.07 -4.66 116.66 108.45 3df2 n ARG 117 Ca -0.06 -0.37 -0.30 0.00 -0.77 0.00 0.00 57.85 56.35 3df2 n ARG 117 Cb 0.20 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 29.99 3df2 n ARG 117 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3df2 s LEU 118 N -2.32 2.10 -0.28 0.55 0.20 -1.24 0.42 118.68 118.11 3df2 s LEU 118 Ca 0.33 -0.77 0.00 0.00 0.69 0.00 0.00 54.13 54.38 3df2 s LEU 118 Cb 0.20 -1.21 0.08 0.00 -0.43 0.00 0.00 46.19 44.83 3df2 s LEU 118 CO 0.44 -0.12 0.04 -0.63 -0.29 0.00 0.00 176.35 175.78 3df2 s ILE 119 N 1.43 1.27 0.31 6.68 -1.09 0.38 -4.87 121.20 125.30 3df2 s ILE 119 Ca 0.01 -1.40 -0.16 0.00 -2.23 0.00 0.00 60.65 56.86 3df2 s ILE 119 Cb -0.15 -1.80 -0.09 0.00 -1.58 0.00 0.00 42.46 38.84 3df2 s ILE 119 CO -0.09 -0.43 0.75 0.54 -1.23 0.00 0.00 174.94 174.48 3df2 s VAL 120 N 1.46 4.63 -0.00 2.92 0.11 -1.19 -4.23 120.40 124.09 3df2 s VAL 120 Ca 0.04 1.06 -0.06 0.00 -2.93 0.00 0.00 61.98 60.09 3df2 s VAL 120 Cb -0.18 -3.67 -0.00 0.00 -1.53 0.00 0.00 36.38 31.00 3df2 s VAL 120 CO -0.14 -0.10 0.11 0.68 -3.33 0.00 0.00 175.10 172.32 3df2 s VAL 121 N -1.89 0.07 -0.91 2.04 -7.23 -1.26 -3.87 120.40 107.35 3df2 s VAL 121 Ca 0.52 -0.62 -0.24 0.00 -1.81 0.00 0.00 61.98 59.83 3df2 s VAL 121 Cb -0.12 -0.37 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 3df2 s VAL 121 CO 0.18 -0.34 1.81 -1.83 -0.31 0.00 0.00 175.10 174.61 3df2 s GLU 122 N -1.18 2.82 0.05 4.82 4.04 -1.26 -2.79 118.70 125.20 3df2 s GLU 122 Ca -0.13 -0.44 0.00 0.00 0.04 0.00 0.00 54.97 54.44 3df2 s GLU 122 Cb -0.07 -5.09 0.00 0.00 0.02 0.00 0.00 34.13 28.99 3df2 s GLU 122 CO 0.01 -3.05 0.00 1.63 -1.84 0.00 0.00 175.26 172.01 3df2 n LYS 123 N 8.89 -0.40 -3.71 -4.83 5.02 -1.26 -5.02 118.16 116.84 3df2 n LYS 123 Ca 0.37 0.30 -0.12 0.00 -2.02 0.00 0.00 58.31 56.84 3df2 n LYS 123 Cb 0.48 -0.34 -0.12 0.00 -0.02 0.00 0.00 35.03 35.03 3df2 n LYS 123 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3df2 s PHE 124 N -2.34 -0.42 0.28 2.13 2.19 -1.26 -5.04 117.98 113.52 3df2 s PHE 124 Ca 0.00 0.94 -0.20 0.00 0.33 0.00 0.00 56.93 58.01 3df2 s PHE 124 Cb 0.00 0.11 0.05 0.00 -1.31 0.00 0.00 43.02 41.87 3df2 s PHE 124 CO 0.00 -0.27 0.85 0.45 1.83 0.00 0.00 175.22 178.08 3df2 s SER 125 N 1.39 -0.08 0.05 6.13 0.15 -1.26 -5.04 113.70 115.04 3df2 s SER 125 Ca -0.09 -0.82 0.05 0.00 0.70 0.00 0.00 55.95 55.80 3df2 s SER 125 Cb -0.10 0.70 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 3df2 s SER 125 CO -0.10 -1.35 -0.14 0.54 1.20 0.00 0.00 173.24 173.39 3df2 s VAL 126 N -2.79 1.12 0.00 4.45 0.11 -1.26 -5.04 120.40 116.99 3df2 s VAL 126 Ca 0.15 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 3df2 s VAL 126 Cb -0.04 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 3df2 s VAL 126 CO 0.08 -0.10 0.44 -0.62 -3.33 0.00 0.00 175.10 171.57 3df2 n GLU 127 N 1.61 0.00 -4.50 1.54 -0.58 -1.26 -4.83 120.64 112.62 3df2 n GLU 127 Ca -0.19 0.08 -0.24 0.00 -0.42 0.00 0.00 57.16 56.38 3df2 n GLU 127 Cb 0.54 -0.94 -0.10 0.00 -0.57 0.00 0.00 31.44 30.37 3df2 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3df2 s ALA 128 N -2.19 2.77 -0.84 0.62 0.00 -1.26 -5.03 121.76 115.83 3df2 s ALA 128 Ca 0.00 -2.01 -0.25 0.00 0.00 0.00 0.00 51.96 49.69 3df2 s ALA 128 Cb 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 23.12 22.87 3df2 s ALA 128 CO 0.00 0.07 1.94 -2.30 0.00 0.00 0.00 175.76 175.46 3df2 n PRO 129 N -0.72 0.07 -3.48 0.00 -0.02 -1.26 -4.78 135.00 124.80 3df2 n PRO 129 Ca -0.05 -1.46 -0.18 0.00 -2.02 0.00 0.00 63.50 59.79 3df2 n PRO 129 Cb 0.63 -3.49 -0.13 0.00 -0.02 0.00 0.00 33.50 30.49 3df2 n PRO 129 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3df2 s LYS 130 N 8.01 0.20 0.58 -0.52 -0.14 -1.26 -4.97 119.74 121.64 3df2 s LYS 130 Ca 0.73 0.19 0.29 0.00 -1.36 0.00 0.00 55.97 55.82 3df2 s LYS 130 Cb -0.02 -1.17 1.50 0.00 -1.68 0.00 0.00 37.83 36.46 3df2 s LYS 130 CO 0.20 -0.67 1.94 1.79 -0.76 0.00 0.00 175.35 177.84 3df2 h THR 131 N 6.31 0.43 -0.54 2.17 1.35 -1.86 0.46 112.91 121.23 3df2 h THR 131 Ca -0.17 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.57 3df2 h THR 131 Cb 1.15 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 3df2 h THR 131 CO 0.29 0.00 -0.11 0.50 -0.25 0.00 0.00 175.52 175.94 3df2 h LYS 132 N 0.00 1.02 0.80 4.72 3.64 -1.95 0.27 116.57 125.07 3df2 h LYS 132 Ca 0.21 -0.38 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 3df2 h LYS 132 Cb 1.09 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.85 3df2 h LYS 132 CO -0.00 1.07 -0.38 -0.07 -2.27 0.00 0.00 179.45 177.79 3df2 h LEU 133 N 0.91 -0.91 -1.32 5.20 3.38 -0.41 -0.90 115.31 121.26 3df2 h LEU 133 Ca 0.14 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.27 3df2 h LEU 133 Cb 0.68 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 3df2 h LEU 133 CO 0.05 -0.60 0.57 0.25 0.09 0.00 0.00 178.44 178.80 3df2 h LEU 134 N -1.16 0.63 -1.57 1.67 5.85 -1.44 0.52 115.31 119.80 3df2 h LEU 134 Ca -0.11 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3df2 h LEU 134 Cb 0.84 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3df2 h LEU 134 CO 0.18 0.32 0.38 0.00 -0.34 0.00 0.00 178.44 178.98 3df2 h ALA 135 N 1.60 1.86 0.49 1.25 0.00 0.09 -0.50 119.26 124.05 3df2 h ALA 135 Ca 0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 3df2 h ALA 135 Cb 0.72 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3df2 h ALA 135 CO -0.19 0.04 -0.23 0.37 0.00 0.00 0.00 179.25 179.24 3df2 h GLN 136 N 0.52 -0.63 -0.75 0.00 5.75 0.14 -0.50 115.11 119.64 3df2 h GLN 136 Ca 0.25 0.04 0.13 0.00 -0.15 0.00 0.00 58.65 58.92 3df2 h GLN 136 Cb 0.31 0.14 -0.13 0.00 1.07 0.00 0.00 27.48 28.87 3df2 h GLN 136 CO -0.07 -0.40 -0.35 -0.22 -2.65 0.00 0.00 178.83 175.14 3df2 h LYS 137 N -1.15 -0.09 0.16 1.69 1.63 -1.04 0.42 116.57 118.18 3df2 h LYS 137 Ca -0.07 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 3df2 h LYS 137 Cb 0.52 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.13 3df2 h LYS 137 CO 0.11 -0.06 -0.40 -0.07 -3.45 0.00 0.00 179.45 175.58 3df2 h LEU 138 N -0.10 -1.16 -0.50 5.20 3.38 -1.14 0.27 115.31 121.27 3df2 h LEU 138 Ca 0.28 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.43 3df2 h LEU 138 Cb 0.57 0.43 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 3df2 h LEU 138 CO -0.80 -0.48 -0.56 0.50 0.09 0.00 0.00 178.44 177.18 3df2 h LYS 139 N -0.66 -0.33 -0.34 1.13 3.64 0.11 0.77 116.57 120.89 3df2 h LYS 139 Ca 0.02 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3df2 h LYS 139 Cb 0.67 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 3df2 h LYS 139 CO -0.21 -0.22 0.06 -0.44 -2.27 0.00 0.00 179.45 176.37 3df2 h ASP 140 N -0.34 -0.02 0.00 4.20 3.45 -0.02 0.26 116.42 123.96 3df2 h ASP 140 Ca 0.09 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.61 3df2 h ASP 140 Cb 0.57 0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 3df2 h ASP 140 CO -0.65 0.03 0.00 0.23 -1.57 0.00 0.00 179.24 177.28 3df2 n MET 141 N -5.11 0.69 -3.57 3.56 2.81 0.94 -4.90 117.12 111.54 3df2 n MET 141 Ca 0.01 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.72 3df2 n MET 141 Cb 0.16 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 3df2 n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3df2 n ALA 142 N -0.95 -2.69 -2.97 3.04 0.00 0.26 -5.00 120.51 112.21 3df2 n ALA 142 Ca 0.15 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 3df2 n ALA 142 Cb 0.07 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.09 3df2 n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3df2 s LEU 143 N -4.89 1.69 -0.03 0.00 1.43 -0.58 -5.01 118.68 111.29 3df2 s LEU 143 Ca 0.06 0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 3df2 s LEU 143 Cb -0.02 0.30 0.01 0.00 0.03 0.00 0.00 46.19 46.50 3df2 s LEU 143 CO 0.85 -0.05 0.15 -1.83 0.23 0.00 0.00 176.35 175.70 3df2 s GLU 144 N -0.05 0.33 -1.00 1.70 -1.05 -1.26 -4.53 118.70 112.85 3df2 s GLU 144 Ca -0.01 -0.08 -0.05 0.00 -0.15 0.00 0.00 54.97 54.69 3df2 s GLU 144 Cb -0.01 0.14 -0.05 0.00 -0.44 0.00 0.00 34.13 33.77 3df2 s GLU 144 CO 0.00 -0.07 0.87 -3.47 0.95 0.00 0.00 175.26 173.54 3df2 n ASP 145 N 2.26 -5.62 -4.78 0.83 -0.08 -0.25 -4.47 116.55 104.43 3df2 n ASP 145 Ca -0.17 -0.65 -0.24 0.00 -1.51 0.00 0.00 54.79 52.22 3df2 n ASP 145 Cb 0.57 -4.86 -0.05 0.00 2.34 0.00 0.00 41.12 39.11 3df2 n ASP 145 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3df2 s VAL 146 N -3.36 4.31 -0.29 5.18 1.01 -1.22 -1.12 120.40 124.91 3df2 s VAL 146 Ca 0.36 -1.30 0.23 0.00 0.00 0.00 0.00 61.98 61.26 3df2 s VAL 146 Cb -0.05 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 3df2 s VAL 146 CO 0.68 -0.22 0.92 -0.11 0.00 0.00 0.00 175.10 176.37 3df2 n LEU 147 N -0.67 0.59 -2.46 3.92 -0.00 -0.61 -2.75 117.00 115.02 3df2 n LEU 147 Ca -0.08 0.17 -0.05 0.00 -0.00 0.00 0.00 56.01 56.05 3df2 n LEU 147 Cb 0.56 -0.06 -0.01 0.00 -0.00 0.00 0.00 43.42 43.91 3df2 n LEU 147 CO 0.42 -0.09 -0.02 -0.38 -0.00 0.00 0.00 177.39 177.33 3df2 n ILE 148 N -2.40 0.00 -1.55 1.96 2.08 -1.25 -3.85 119.36 114.34 3df2 n ILE 148 Ca -0.00 0.00 -0.40 0.00 0.56 0.00 0.00 62.75 62.91 3df2 n ILE 148 Cb 0.52 -0.06 -0.04 0.00 -0.75 0.00 0.00 39.64 39.32 3df2 n ILE 148 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3df2 n ILE 149 N -2.33 0.07 0.00 1.39 3.06 -1.26 -3.99 119.36 116.30 3df2 n ILE 149 Ca 0.01 -0.62 0.00 0.00 -2.50 0.00 0.00 62.75 59.64 3df2 n ILE 149 Cb 0.42 -2.53 0.00 0.00 0.54 0.00 0.00 39.64 38.07 3df2 n ILE 149 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 3df2 n THR 150 N 7.85 0.00 -0.05 9.51 5.66 0.07 -1.60 114.28 135.72 3df2 n THR 150 Ca 0.37 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.37 3df2 n THR 150 Cb 0.47 -1.66 0.00 0.00 -1.55 0.00 0.00 70.33 67.59 3df2 n THR 150 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3df2 n GLY 151 N 4.29 0.57 0.00 1.09 0.00 -1.26 -4.03 105.19 105.85 3df2 n GLY 151 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3df2 n GLY 151 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3df2 n GLU 152 N -0.60 2.85 -0.87 1.61 4.07 -1.26 -4.47 120.64 121.98 3df2 n GLU 152 Ca 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.21 3df2 n GLU 152 Cb 0.01 -0.24 -0.05 0.00 -0.06 0.00 0.00 31.44 31.10 3df2 n GLU 152 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3df2 n LEU 153 N 0.00 -0.58 -3.64 4.31 0.00 -1.26 -5.01 117.00 110.81 3df2 n LEU 153 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 56.01 57.36 3df2 n LEU 153 Cb 0.00 -2.27 -0.06 0.00 0.00 0.00 0.00 43.42 41.09 3df2 n LEU 153 CO 0.00 -1.52 0.86 1.51 0.00 0.00 0.00 177.39 178.24 3df2 s ASP 154 N -6.14 -0.26 0.00 1.96 1.47 -1.26 -5.01 116.67 107.44 3df2 s ASP 154 Ca 0.00 0.41 0.00 0.00 1.18 0.00 0.00 52.55 54.14 3df2 s ASP 154 Cb 0.00 1.11 0.00 0.00 -0.34 0.00 0.00 42.92 43.69 3df2 s ASP 154 CO 0.00 -0.06 0.47 -0.62 0.68 0.00 0.00 175.17 175.64 3df2 n GLU 155 N 3.38 0.00 -0.01 2.11 -0.58 -1.26 -0.88 120.64 123.40 3df2 n GLU 155 Ca -0.18 0.02 -0.00 0.00 -0.42 0.00 0.00 57.16 56.58 3df2 n GLU 155 Cb 0.57 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.93 3df2 n GLU 155 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 3df2 h ASN 156 N 0.00 0.00 0.31 1.62 -1.24 -1.97 -2.06 115.58 112.24 3df2 h ASN 156 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 3df2 h ASN 156 Cb 0.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 3df2 h ASN 156 CO 0.00 0.06 -0.20 0.25 -1.29 0.00 0.00 177.43 176.25 3df2 h LEU 157 N -0.10 0.00 -0.28 0.34 5.85 -1.83 -1.90 115.31 117.39 3df2 h LEU 157 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3df2 h LEU 157 Cb 0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3df2 h LEU 157 CO 0.00 0.20 0.05 0.15 -0.34 0.00 0.00 178.44 178.50 3df2 h PHE 158 N 0.00 0.49 0.00 1.25 -0.00 -1.16 -0.88 116.94 116.63 3df2 h PHE 158 Ca -0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.97 57.90 3df2 h PHE 158 Cb 0.41 -0.13 -0.00 0.00 -0.00 0.00 0.00 35.95 36.22 3df2 h PHE 158 CO 0.00 0.55 -0.00 -0.07 -0.00 0.00 0.00 178.31 178.79 3df2 h LEU 159 N 0.28 0.00-10.55 0.59 4.07 -0.60 -3.38 115.31 105.72 3df2 h LEU 159 Ca 0.09 0.00 -0.46 0.00 0.08 0.00 0.00 57.88 57.59 3df2 h LEU 159 Cb 0.32 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.13 3df2 h LEU 159 CO 0.00 0.00 0.19 0.00 -1.08 0.00 0.00 178.44 177.56 3df2 s ALA 160 N -4.27 3.25 0.00 1.53 0.00 -0.34 -3.83 121.76 118.11 3df2 s ALA 160 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3df2 s ALA 160 Cb 0.13 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.71 3df2 s ALA 160 CO 0.46 -1.20 0.00 0.00 0.00 0.00 0.00 175.76 175.02 3df2 n ALA 161 N -2.83 0.00 -0.61 0.00 0.00 -1.26 -4.84 120.51 110.98 3df2 n ALA 161 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3df2 n ALA 161 Cb 0.60 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3df2 n ALA 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3df2 n ARG 162 N -2.00 0.00 0.00 0.00 1.74 -1.25 -2.83 116.66 112.32 3df2 n ARG 162 Ca 0.00 0.20 0.01 0.00 -0.77 0.00 0.00 57.85 57.29 3df2 n ARG 162 Cb 0.00 -1.05 0.04 0.00 -1.02 0.00 0.00 32.46 30.43 3df2 n ARG 162 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3df2 n ASN 163 N -1.09 0.00 -4.62 0.55 5.03 -1.26 -4.40 115.26 109.47 3df2 n ASN 163 Ca 0.00 0.42 -0.43 0.00 0.87 0.00 0.00 54.58 55.44 3df2 n ASN 163 Cb 0.00 -0.43 -0.03 0.00 -1.02 0.00 0.00 39.78 38.30 3df2 n ASN 163 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3df2 s LEU 164 N -2.86 3.99 0.00 3.41 1.43 -1.13 -4.99 118.68 118.53 3df2 s LEU 164 Ca 0.01 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 3df2 s LEU 164 Cb 0.01 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.92 3df2 s LEU 164 CO 0.03 -0.83 0.20 1.57 0.23 0.00 0.00 176.35 177.56 3df2 n HIS 165 N 6.71 0.00 -1.16 0.29 -0.00 -1.26 -4.23 115.22 115.58 3df2 n HIS 165 Ca 0.08 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.47 3df2 n HIS 165 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.37 3df2 n HIS 165 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3df2 n LYS 166 N -0.20 0.48 0.00 1.57 4.76 -1.26 -4.69 118.16 118.82 3df2 n LYS 166 Ca 0.00 -1.56 0.00 0.00 -2.87 0.00 0.00 58.31 53.88 3df2 n LYS 166 Cb 0.00 -3.19 0.00 0.00 -1.84 0.00 0.00 35.03 30.00 3df2 n LYS 166 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 3df2 n VAL 167 N 7.63 0.00 -3.64 -0.18 3.14 -1.26 -1.09 118.33 122.93 3df2 n VAL 167 Ca 0.45 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.77 3df2 n VAL 167 Cb 0.44 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.15 3df2 n VAL 167 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3df2 s ASP 168 N 0.00 -0.76 0.12 6.55 3.68 -1.11 -4.80 116.67 120.35 3df2 s ASP 168 Ca 0.00 1.26 -0.16 0.00 2.13 0.00 0.00 52.55 55.77 3df2 s ASP 168 Cb 0.00 1.31 -0.07 0.00 -1.45 0.00 0.00 42.92 42.71 3df2 s ASP 168 CO 0.00 -0.20 0.57 0.68 0.13 0.00 0.00 175.17 176.34 3df2 s VAL 169 N 1.30 4.80 0.24 1.11 -7.23 -1.25 -3.96 120.40 115.41 3df2 s VAL 169 Ca -0.08 1.00 0.01 0.00 -1.81 0.00 0.00 61.98 61.11 3df2 s VAL 169 Cb -0.05 -3.80 -0.05 0.00 0.56 0.00 0.00 36.38 33.04 3df2 s VAL 169 CO -0.15 0.36 0.09 -0.13 -0.31 0.00 0.00 175.10 174.95 3df2 s ARG 170 N -1.64 1.35 0.44 4.82 0.52 -1.25 -4.95 118.95 118.24 3df2 s ARG 170 Ca 0.35 -1.72 0.08 0.00 -0.52 0.00 0.00 55.73 53.92 3df2 s ARG 170 Cb -0.17 -0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.10 3df2 s ARG 170 CO 0.19 -0.28 0.54 0.34 0.02 0.00 0.00 175.30 176.11 3df2 s ASP 171 N -3.28 5.42 0.22 0.23 2.15 -1.26 -0.75 116.67 119.40 3df2 s ASP 171 Ca 0.36 -0.57 -0.09 0.00 0.43 0.00 0.00 52.55 52.68 3df2 s ASP 171 Cb 0.08 -0.51 0.34 0.00 -0.30 0.00 0.00 42.92 42.52 3df2 s ASP 171 CO 0.12 -0.80 1.67 0.00 -0.17 0.00 0.00 175.17 175.99 3df2 h ALA 172 N 0.69 0.71 0.00 3.66 0.00 -1.78 0.29 119.26 122.83 3df2 h ALA 172 Ca -0.39 0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 3df2 h ALA 172 Cb 1.28 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 3df2 h ALA 172 CO 0.48 -0.37 -0.68 1.79 0.00 0.00 0.00 179.25 180.47 3df2 h THR 173 N 0.18 1.29 0.00 0.00 1.35 -1.95 -3.11 112.91 110.67 3df2 h THR 173 Ca 0.35 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.69 3df2 h THR 173 Cb 0.56 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 3df2 h THR 173 CO -0.51 0.67 0.09 0.61 -0.25 0.00 0.00 175.52 176.14 3df2 n GLY 174 N 0.90 -0.44 3.43 5.82 0.00 0.99 -4.75 105.19 111.13 3df2 n GLY 174 Ca 0.00 0.01 -0.52 0.00 0.00 0.00 0.00 46.02 45.52 3df2 n GLY 174 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3df2 n ILE 175 N -1.48 1.36 -4.12 -0.61 3.06 -1.06 -4.73 119.36 111.77 3df2 n ILE 175 Ca -0.00 -0.34 -0.20 0.00 -2.50 0.00 0.00 62.75 59.71 3df2 n ILE 175 Cb 0.09 -0.01 -0.16 0.00 0.54 0.00 0.00 39.64 40.11 3df2 n ILE 175 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3df2 s ASP 176 N -0.68 0.90 0.04 9.51 -1.08 -1.26 -5.07 116.67 119.03 3df2 s ASP 176 Ca 0.73 -0.11 -0.28 0.00 -0.52 0.00 0.00 52.55 52.37 3df2 s ASP 176 Cb -1.04 -0.42 -0.15 0.00 -1.46 0.00 0.00 42.92 39.85 3df2 s ASP 176 CO 0.56 -0.06 1.40 -0.65 0.52 0.00 0.00 175.17 176.94 3df2 h PRO 177 N 7.22 -0.96 -0.03 4.34 0.11 -1.99 0.49 132.00 141.18 3df2 h PRO 177 Ca -0.38 0.07 0.01 0.00 0.11 0.00 0.00 66.00 65.80 3df2 h PRO 177 Cb 1.15 0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.48 3df2 h PRO 177 CO 0.46 -0.64 0.06 -0.24 -0.21 0.00 0.00 178.00 177.43 3df2 h VAL 178 N -1.01 0.24 0.21 3.15 3.04 -1.95 -2.13 116.25 117.81 3df2 h VAL 178 Ca -0.10 0.00 -0.34 0.00 -1.01 0.00 0.00 66.70 65.25 3df2 h VAL 178 Cb 0.77 0.95 0.02 0.00 -2.01 0.00 0.00 31.29 31.02 3df2 h VAL 178 CO 0.17 0.00 -1.59 0.28 -1.01 0.00 0.00 177.57 175.42 3df2 h SER 179 N 0.00 0.70 -0.41 3.17 0.02 -1.86 -2.22 113.55 112.95 3df2 h SER 179 Ca 0.01 -0.93 0.12 0.00 -0.84 0.00 0.00 61.79 60.15 3df2 h SER 179 Cb 0.12 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3df2 h SER 179 CO -0.00 1.74 0.30 -0.07 -1.14 0.00 0.00 176.83 177.65 3df2 h LEU 180 N 0.08 0.00 0.00 5.07 3.38 -0.20 0.50 115.31 124.14 3df2 h LEU 180 Ca -0.30 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 3df2 h LEU 180 Cb 2.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.83 3df2 h LEU 180 CO 0.21 0.00 -1.18 0.00 0.09 0.00 0.00 178.44 177.56 3df2 n ILE 181 N -4.41 0.87 -1.88 1.22 3.06 -1.17 -4.90 119.36 112.15 3df2 n ILE 181 Ca 0.07 -0.61 -0.29 0.00 -2.50 0.00 0.00 62.75 59.41 3df2 n ILE 181 Cb 0.49 -0.52 0.08 0.00 0.54 0.00 0.00 39.64 40.23 3df2 n ILE 181 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3df2 s ALA 182 N -3.17 2.68 0.16 1.51 0.00 0.18 -4.92 121.76 118.20 3df2 s ALA 182 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3df2 s ALA 182 Cb 0.09 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.23 3df2 s ALA 182 CO 0.80 -1.55 0.00 1.19 0.00 0.00 0.00 175.76 176.20 3df2 n PHE 183 N -3.25 -1.62 -0.12 0.00 3.01 -1.26 -4.79 117.46 109.43 3df2 n PHE 183 Ca 0.08 0.82 -0.25 0.00 1.01 0.00 0.00 57.45 59.11 3df2 n PHE 183 Cb 0.60 -1.47 -0.11 0.00 -0.01 0.00 0.00 39.48 38.48 3df2 n PHE 183 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3df2 n ASP 184 N -2.65 1.96 -4.17 4.37 8.00 -0.27 -5.03 116.55 118.75 3df2 n ASP 184 Ca -0.00 0.23 -0.11 0.00 0.71 0.00 0.00 54.79 55.63 3df2 n ASP 184 Cb 0.29 -0.76 -0.10 0.00 -0.02 0.00 0.00 41.12 40.54 3df2 n ASP 184 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3df2 s LYS 185 N -2.49 0.88 0.05 -1.24 1.02 -1.06 -4.66 119.74 112.23 3df2 s LYS 185 Ca -0.35 -1.38 0.04 0.00 0.02 0.00 0.00 55.97 54.30 3df2 s LYS 185 Cb 0.11 -0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.29 3df2 s LYS 185 CO 0.56 -0.09 -0.11 0.54 -0.92 0.00 0.00 175.35 175.33 3df2 s VAL 186 N -3.72 0.87 0.00 3.17 0.11 0.17 -1.57 120.40 119.42 3df2 s VAL 186 Ca 0.15 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.15 3df2 s VAL 186 Cb 0.06 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3df2 s VAL 186 CO -0.03 -0.18 0.00 0.52 -3.33 0.00 0.00 175.10 172.08 3df2 n VAL 187 N 1.65 0.00 -2.51 2.04 0.31 -1.26 -0.47 118.33 118.09 3df2 n VAL 187 Ca -0.20 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.11 3df2 n VAL 187 Cb 0.55 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 3df2 n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3df2 n MET 188 N -0.80 -2.61 -0.65 5.55 0.00 -0.63 -3.18 117.12 114.80 3df2 n MET 188 Ca 0.00 2.23 -0.31 0.00 0.00 0.00 0.00 57.70 59.62 3df2 n MET 188 Cb 0.00 -4.63 0.18 0.00 0.00 0.00 0.00 33.22 28.77 3df2 n MET 188 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3df2 n THR 189 N 0.34 0.00 0.07 1.12 -2.24 -1.16 -4.23 114.28 108.18 3df2 n THR 189 Ca 0.02 -0.12 0.21 0.00 -2.27 0.00 0.00 64.05 61.90 3df2 n THR 189 Cb 0.09 -0.94 0.71 0.00 -2.10 0.00 0.00 70.33 68.09 3df2 n THR 189 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3df2 h ALA 190 N -2.02 2.18 0.04 6.98 0.00 -1.89 0.81 119.26 125.36 3df2 h ALA 190 Ca -0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3df2 h ALA 190 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3df2 h ALA 190 CO 0.42 -0.78 -0.02 0.22 0.00 0.00 0.00 179.25 179.09 3df2 h ASP 191 N 0.00 -0.04 -0.46 0.00 1.82 -1.88 -2.97 116.42 112.89 3df2 h ASP 191 Ca 0.22 -0.66 0.04 0.00 -0.39 0.00 0.00 57.03 56.24 3df2 h ASP 191 Cb 1.30 0.01 -0.04 0.00 0.68 0.00 0.00 39.33 41.28 3df2 h ASP 191 CO -0.00 0.71 0.23 0.00 -1.61 0.00 0.00 179.24 178.57 3df2 h ALA 192 N -0.05 0.58 -0.46 -0.78 0.00 -1.19 0.43 119.26 117.78 3df2 h ALA 192 Ca -0.00 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.05 3df2 h ALA 192 Cb 0.70 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3df2 h ALA 192 CO 0.01 -0.12 0.33 0.28 0.00 0.00 0.00 179.25 179.75 3df2 h VAL 193 N 0.46 0.78 0.02 0.00 2.07 -1.04 0.53 116.25 119.07 3df2 h VAL 193 Ca 0.20 -0.01 -0.21 0.00 0.82 0.00 0.00 66.70 67.50 3df2 h VAL 193 Cb 0.11 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3df2 h VAL 193 CO -0.14 0.00 -0.95 0.50 0.02 0.00 0.00 177.57 177.00 3df2 h LYS 194 N 0.02 0.20 0.05 1.57 3.64 -0.80 -3.08 116.57 118.18 3df2 h LYS 194 Ca 0.22 -0.25 -0.23 0.00 -1.27 0.00 0.00 60.65 59.12 3df2 h LYS 194 Cb 0.85 0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.77 3df2 h LYS 194 CO -0.01 1.01 -0.94 1.96 -2.27 0.00 0.00 179.45 179.20 3df2 h GLN 195 N 0.10 0.55 -0.02 1.90 4.20 0.77 -3.06 115.11 119.56 3df2 h GLN 195 Ca -0.06 -0.66 0.00 0.00 0.06 0.00 0.00 58.65 58.00 3df2 h GLN 195 Cb 1.61 0.20 -0.00 0.00 0.30 0.00 0.00 27.48 29.59 3df2 h GLN 195 CO 0.15 1.26 0.03 0.28 -0.67 0.00 0.00 178.83 179.88 3df2 h VAL 196 N 0.12 0.30 -0.49 -0.54 2.07 -0.20 0.14 116.25 117.65 3df2 h VAL 196 Ca -0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3df2 h VAL 196 Cb 1.63 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 3df2 h VAL 196 CO 0.18 0.00 0.23 -0.08 0.02 0.00 0.00 177.57 177.92 3df2 h GLU 197 N 0.00 0.71 0.06 1.57 4.57 -1.43 -2.25 114.58 117.81 3df2 h GLU 197 Ca 0.01 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3df2 h GLU 197 Cb 0.07 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 3df2 h GLU 197 CO -0.00 0.60 -0.03 0.93 -1.18 0.00 0.00 179.01 179.33 3df2 h GLU 198 N 0.65 -0.08 -0.66 1.92 5.08 -1.04 -3.31 114.58 117.14 3df2 h GLU 198 Ca 0.17 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.74 3df2 h GLU 198 Cb 0.13 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.27 3df2 h GLU 198 CO -0.02 0.33 0.09 -0.12 -1.00 0.00 0.00 179.01 178.29 3df2 n MET 199 N -4.78 -0.05 -4.04 2.33 1.56 0.27 -4.08 117.12 108.34 3df2 n MET 199 Ca -0.05 0.97 -0.33 0.00 -0.27 0.00 0.00 57.70 58.02 3df2 n MET 199 Cb 0.22 -1.59 -0.06 0.00 2.15 0.00 0.00 33.22 33.93 3df2 n MET 199 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3df2 s LEU 200 N -9.58 4.06 0.00 -0.89 2.01 -0.85 -5.07 118.68 108.36 3df2 s LEU 200 Ca -0.08 0.23 0.00 0.00 0.01 0.00 0.00 54.13 54.29 3df2 s LEU 200 Cb 0.20 -2.34 0.00 0.00 0.01 0.00 0.00 46.19 44.06 3df2 s LEU 200 CO 0.52 0.28 0.00 0.00 1.01 0.00 0.00 176.35 178.16