#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2n s ASP 2 N 0.00 5.43 0.37 1.61 -1.08 -1.26 -4.77 116.67 116.98 1c2n s ASP 2 Ca 0.00 -1.45 0.15 0.00 -0.52 0.00 0.00 52.55 50.73 1c2n s ASP 2 Cb 0.00 -2.58 1.01 0.00 -1.46 0.00 0.00 42.92 39.89 1c2n s ASP 2 CO 0.00 -2.59 1.78 0.00 0.52 0.00 0.00 175.17 174.89 1c2n h ALA 3 N 9.93 2.07 0.23 3.66 0.00 -1.87 0.49 119.26 133.76 1c2n h ALA 3 Ca 0.21 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1c2n h ALA 3 Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1c2n h ALA 3 CO 1.27 -0.46 -0.11 0.00 0.00 0.00 0.00 179.25 179.95 1c2n h ALA 4 N 1.64 -0.30 -0.95 0.00 0.00 -1.88 0.95 119.26 118.72 1c2n h ALA 4 Ca 0.58 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.43 1c2n h ALA 4 Cb 1.30 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 1c2n h ALA 4 CO -0.31 -0.61 0.62 0.87 0.00 0.00 0.00 179.25 179.81 1c2n h LYS 5 N -0.42 1.10 -0.33 0.00 1.79 -1.60 -1.35 116.57 115.76 1c2n h LYS 5 Ca -0.03 -0.07 0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1c2n h LYS 5 Cb 0.32 -0.25 -0.05 0.00 -1.58 0.00 0.00 32.23 30.68 1c2n h LYS 5 CO 0.05 0.73 0.04 0.78 -1.08 0.00 0.00 179.45 179.97 1c2n h GLY 6 N 1.13 0.36 0.57 3.86 0.00 -0.50 0.15 103.07 108.64 1c2n h GLY 6 Ca 0.39 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.77 1c2n h GLY 6 CO -0.14 -0.04 0.01 -2.09 0.00 0.00 0.00 176.54 174.28 1c2n h GLU 7 N 0.15 0.10 -0.18 4.80 4.81 0.23 0.31 114.58 124.79 1c2n h GLU 7 Ca 0.16 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1c2n h GLU 7 Cb 0.19 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1c2n h GLU 7 CO -0.23 0.07 0.10 0.87 -0.73 0.00 0.00 179.01 179.09 1c2n h LYS 8 N 0.10 0.26 -0.95 1.92 1.79 -0.40 -2.55 116.57 116.74 1c2n h LYS 8 Ca 0.14 -0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.71 1c2n h LYS 8 Cb 0.18 -0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.70 1c2n h LYS 8 CO -0.22 0.25 0.61 1.49 -1.08 0.00 0.00 179.45 180.50 1c2n h GLU 9 N 0.20 0.83 0.00 3.15 4.57 -0.39 0.10 114.58 123.04 1c2n h GLU 9 Ca 0.07 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1c2n h GLU 9 Cb 0.07 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1c2n h GLU 9 CO -0.01 0.55 0.17 0.35 -1.18 0.00 0.00 179.01 178.89 1c2n h PHE 10 N 0.86 0.00 -0.24 0.92 3.57 -0.50 -1.02 116.94 120.54 1c2n h PHE 10 Ca 0.48 0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.05 1c2n h PHE 10 Cb 0.59 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1c2n h PHE 10 CO -0.00 0.00 0.25 -0.91 -2.23 0.00 0.00 178.31 175.42 1c2n h ASN 11 N 0.00 0.00 0.02 0.41 2.35 -1.03 0.71 115.58 118.04 1c2n h ASN 11 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1c2n h ASN 11 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1c2n h ASN 11 CO 0.00 0.00 -0.01 0.11 -1.65 0.00 0.00 177.43 175.88 1c2n h LYS 12 N 0.00 -0.02 -0.89 0.81 1.57 -1.40 -3.36 116.57 113.27 1c2n h LYS 12 Ca 0.11 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.07 1c2n h LYS 12 Cb 0.62 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.83 1c2n h LYS 12 CO -0.00 0.73 0.46 0.00 -0.57 0.00 0.00 179.45 180.07 1c2n h LYS 14 N 0.59 0.00 -0.28 0.00 2.10 -1.07 0.48 116.57 118.40 1c2n h LYS 14 Ca 0.51 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 59.24 1c2n h LYS 14 Cb 0.80 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1c2n h LYS 14 CO -0.41 0.00 0.24 1.15 -2.00 0.00 0.00 179.45 178.43 1c2n h THR 15 N 0.00 0.63 0.00 0.07 2.02 -1.27 0.03 112.91 114.39 1c2n h THR 15 Ca 0.03 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 1c2n h THR 15 Cb 0.39 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1c2n h THR 15 CO -0.00 0.00 -1.10 0.00 0.37 0.00 0.00 175.52 174.79 1c2n s HIS 17 N -2.03 2.04 0.08 0.00 3.76 -0.02 -0.17 115.29 118.94 1c2n s HIS 17 Ca -0.02 -0.26 -0.02 0.00 -0.15 0.00 0.00 55.06 54.60 1c2n s HIS 17 Cb 0.01 -2.77 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 1c2n s HIS 17 CO 0.04 -1.30 0.04 -1.54 -0.85 0.00 0.00 174.74 171.13 1c2n s SER 18 N -4.61 0.37 -0.21 1.40 1.04 -1.15 -2.49 113.70 108.05 1c2n s SER 18 Ca 0.62 -1.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.00 1c2n s SER 18 Cb -0.07 0.26 0.07 0.00 0.10 0.00 0.00 66.02 66.38 1c2n s SER 18 CO 0.41 -0.67 0.09 -0.63 0.98 0.00 0.00 173.24 173.42 1c2n s ILE 19 N -3.95 0.13 -0.12 -1.02 1.01 -1.04 -1.27 121.20 114.94 1c2n s ILE 19 Ca 0.12 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1c2n s ILE 19 Cb 0.07 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.70 1c2n s ILE 19 CO -0.06 -0.40 -0.19 -0.51 0.00 0.00 0.00 174.94 173.78 1c2n s ILE 20 N 2.03 1.76 0.90 2.92 2.07 -1.26 -0.35 121.20 129.27 1c2n s ILE 20 Ca 0.04 -0.81 -0.11 0.00 -1.41 0.00 0.00 60.65 58.36 1c2n s ILE 20 Cb -0.16 -1.58 0.13 0.00 0.13 0.00 0.00 42.46 40.98 1c2n s ILE 20 CO -0.17 0.49 1.15 0.00 -1.91 0.00 0.00 174.94 174.50 1c2n n ALA 21 N 4.09 -0.69 -0.31 1.50 0.00 0.27 -4.81 120.51 120.56 1c2n n ALA 21 Ca -0.19 -0.51 0.12 0.00 0.00 0.00 0.00 53.44 52.85 1c2n n ALA 21 Cb 0.51 -2.20 0.34 0.00 0.00 0.00 0.00 19.45 18.11 1c2n n ALA 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1c2n h PRO 22 N -1.70 0.73 0.00 0.00 0.11 -1.89 0.17 132.00 129.42 1c2n h PRO 22 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1c2n h PRO 22 Cb 1.28 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1c2n h PRO 22 CO 0.42 0.49 0.00 -0.25 -0.21 0.00 0.00 178.00 178.44 1c2n n ASP 23 N -4.62 0.00 0.00 -2.05 9.92 -1.26 -4.82 116.55 113.71 1c2n n ASP 23 Ca 0.20 -0.87 0.00 0.00 -0.53 0.00 0.00 54.79 53.59 1c2n n ASP 23 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1c2n n ASP 23 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c2n n GLY 24 N 0.20 2.12 3.60 0.44 0.00 0.58 -4.98 105.19 107.17 1c2n n GLY 24 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 1c2n n GLY 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1c2n n THR 25 N -2.00 0.46 -1.66 2.61 -1.04 -1.25 -4.65 114.28 106.74 1c2n n THR 25 Ca 0.00 -0.28 -0.40 0.00 -2.04 0.00 0.00 64.05 61.33 1c2n n THR 25 Cb 0.00 -2.18 -0.03 0.00 -1.82 0.00 0.00 70.33 66.30 1c2n n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1c2n n GLU 26 N 7.90 2.12 -0.19 -2.82 1.02 -1.26 -0.56 120.64 126.85 1c2n n GLU 26 Ca 0.28 -2.36 -0.00 0.00 -0.02 0.00 0.00 57.16 55.06 1c2n n GLU 26 Cb 0.36 -3.24 0.09 0.00 -0.02 0.00 0.00 31.44 28.63 1c2n n GLU 26 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c2n h ILE 27 N 4.79 0.54 -3.32 -3.67 1.08 -1.85 -3.26 117.51 111.81 1c2n h ILE 27 Ca 0.43 -0.04 -0.59 0.00 -0.39 0.00 0.00 64.86 64.26 1c2n h ILE 27 Cb 0.74 0.40 -0.40 0.00 -3.07 0.00 0.00 36.82 34.49 1c2n h ILE 27 CO 1.75 0.02 -0.75 -0.69 -0.69 0.00 0.00 178.15 177.78 1c2n s VAL 28 N -6.15 1.17 -1.12 1.67 1.01 0.53 -5.00 120.40 112.51 1c2n s VAL 28 Ca -0.13 -1.45 -0.08 0.00 0.00 0.00 0.00 61.98 60.32 1c2n s VAL 28 Cb 0.18 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 1c2n s VAL 28 CO 0.73 -0.53 2.65 1.17 0.00 0.00 0.00 175.10 179.12 1c2n n LYS 29 N 4.74 2.78 -2.40 2.72 4.81 -1.23 -2.50 118.16 127.08 1c2n n LYS 29 Ca -0.03 -1.71 -0.25 0.00 -0.87 0.00 0.00 58.31 55.45 1c2n n LYS 29 Cb 0.43 -2.53 0.09 0.00 0.02 0.00 0.00 35.03 33.04 1c2n n LYS 29 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1c2n s GLY 30 N 2.64 1.76 1.16 3.14 0.00 -1.26 -5.07 107.32 109.68 1c2n s GLY 30 Ca 0.56 -1.37 -0.18 0.00 0.00 0.00 0.00 44.72 43.74 1c2n s GLY 30 CO -0.04 -0.87 1.11 0.00 0.00 0.00 0.00 173.10 173.30 1c2n s ALA 31 N -3.20 0.69 -0.17 3.20 0.00 -0.00 -4.58 121.76 117.69 1c2n s ALA 31 Ca 0.64 -0.83 0.15 0.00 0.00 0.00 0.00 51.96 51.92 1c2n s ALA 31 Cb -0.08 -2.93 0.37 0.00 0.00 0.00 0.00 23.12 20.49 1c2n s ALA 31 CO 0.44 -3.43 1.22 1.63 0.00 0.00 0.00 175.76 175.63 1c2n n LYS 32 N -4.63 1.58 -0.18 0.00 4.76 -1.12 -2.93 118.16 115.63 1c2n n LYS 32 Ca 0.11 -2.90 -0.05 0.00 -2.87 0.00 0.00 58.31 52.61 1c2n n LYS 32 Cb 0.59 -1.60 0.12 0.00 -1.84 0.00 0.00 35.03 32.31 1c2n n LYS 32 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1c2n h THR 33 N 0.58 1.25 -1.58 -0.18 2.02 -0.88 -3.43 112.91 110.69 1c2n h THR 33 Ca 0.02 -0.92 -0.55 0.00 0.77 0.00 0.00 66.41 65.73 1c2n h THR 33 Cb 1.10 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 68.08 1c2n h THR 33 CO 0.05 0.35 -0.47 -0.83 0.37 0.00 0.00 175.52 174.99 1c2n s GLY 34 N -3.57 2.28 1.39 2.16 0.00 0.25 -4.99 107.32 104.83 1c2n s GLY 34 Ca -0.11 -2.05 -0.22 0.00 0.00 0.00 0.00 44.72 42.34 1c2n s GLY 34 CO 0.82 -1.85 0.96 2.56 0.00 0.00 0.00 173.10 175.59 1c2n s PRO 35 N -3.96 -2.65 -0.91 2.90 0.04 -1.26 -4.46 135.00 124.69 1c2n s PRO 35 Ca 0.43 0.13 -0.17 0.00 0.04 0.00 0.00 61.00 61.43 1c2n s PRO 35 Cb 0.02 -1.41 0.16 0.00 0.04 0.00 0.00 34.50 33.31 1c2n s PRO 35 CO 0.24 -4.69 1.04 1.21 0.04 0.00 0.00 177.00 174.83 1c2n s ASN 36 N -3.23 6.69 0.00 6.66 3.84 -1.26 -3.43 114.94 124.21 1c2n s ASN 36 Ca 0.69 -2.28 0.00 0.00 0.21 0.00 0.00 52.86 51.48 1c2n s ASN 36 Cb -0.13 -2.34 0.00 0.00 -0.55 0.00 0.00 41.25 38.23 1c2n s ASN 36 CO 0.58 -0.90 0.04 0.18 -2.79 0.00 0.00 177.10 174.20 1c2n n LEU 37 N 5.73 0.08 -4.57 3.21 4.32 -0.39 -4.71 117.00 120.67 1c2n n LEU 37 Ca 0.22 -0.04 -0.19 0.00 -0.02 0.00 0.00 56.01 55.97 1c2n n LEU 37 Cb 0.48 -0.03 -0.08 0.00 -1.62 0.00 0.00 43.42 42.17 1c2n n LEU 37 CO 0.46 0.02 1.26 -0.47 -1.22 0.00 0.00 177.39 177.44 1c2n s TYR 38 N -0.86 1.46 -0.13 -1.77 5.04 -1.25 -2.86 117.35 116.98 1c2n s TYR 38 Ca 0.00 1.51 -0.01 0.00 -2.44 0.00 0.00 57.07 56.13 1c2n s TYR 38 Cb 0.00 -3.64 -0.01 0.00 0.35 0.00 0.00 41.96 38.66 1c2n s TYR 38 CO 0.00 -1.27 0.11 0.41 -1.34 0.00 0.00 175.55 173.47 1c2n n GLY 39 N 6.44 0.57 0.29 8.97 0.00 -1.26 -4.86 105.19 115.33 1c2n n GLY 39 Ca 0.43 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 46.25 1c2n n GLY 39 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c2n h VAL 40 N -0.16 1.11 -1.91 1.61 3.04 -1.72 -3.41 116.25 114.80 1c2n h VAL 40 Ca -0.07 -0.29 -0.63 0.00 -1.01 0.00 0.00 66.70 64.70 1c2n h VAL 40 Cb 1.04 0.69 0.01 0.00 -2.01 0.00 0.00 31.29 31.02 1c2n h VAL 40 CO 0.06 0.12 1.12 0.52 -1.01 0.00 0.00 177.57 178.38 1c2n n VAL 41 N -4.44 0.52 0.00 1.51 0.31 -1.26 -0.58 118.33 114.39 1c2n n VAL 41 Ca 0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1c2n n VAL 41 Cb 0.10 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 1c2n n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c2n n GLY 42 N 4.59 2.66 3.75 2.92 0.00 0.45 -4.98 105.19 114.58 1c2n n GLY 42 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1c2n n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c2n s ARG 43 N -0.76 4.70 0.24 1.61 6.06 0.26 -4.52 118.95 126.54 1c2n s ARG 43 Ca 0.00 1.68 -0.31 0.00 -2.50 0.00 0.00 55.73 54.60 1c2n s ARG 43 Cb 0.00 -3.24 -0.11 0.00 0.06 0.00 0.00 34.95 31.66 1c2n s ARG 43 CO 0.00 0.27 1.57 0.99 -2.50 0.00 0.00 175.30 175.63 1c2n s THR 44 N -0.92 2.32 0.30 4.11 2.01 -1.26 -0.87 115.64 121.32 1c2n s THR 44 Ca 0.45 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 1c2n s THR 44 Cb -0.29 -3.16 -0.12 0.00 0.01 0.00 0.00 72.50 68.93 1c2n s THR 44 CO 0.37 0.03 1.40 0.00 -0.69 0.00 0.00 174.62 175.73 1c2n n ALA 45 N 2.82 1.53 -2.14 7.40 0.00 0.03 -2.47 120.51 127.69 1c2n n ALA 45 Ca 0.10 0.38 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 1c2n n ALA 45 Cb 0.38 -2.31 -0.00 0.00 0.00 0.00 0.00 19.45 17.52 1c2n n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c2n n GLY 46 N 1.44 0.06 0.00 0.00 0.00 -1.26 -3.87 105.19 101.56 1c2n n GLY 46 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1c2n n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c2n n THR 47 N -3.99 0.00 -1.86 2.61 -2.24 -1.03 -4.79 114.28 102.98 1c2n n THR 47 Ca -0.09 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1c2n n THR 47 Cb 0.57 1.43 -0.03 0.00 -2.10 0.00 0.00 70.33 70.20 1c2n n THR 47 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1c2n s TYR 48 N -0.12 1.97 0.98 4.78 6.14 -1.26 -4.92 117.35 124.93 1c2n s TYR 48 Ca 0.00 0.04 -0.12 0.00 0.64 0.00 0.00 57.07 57.63 1c2n s TYR 48 Cb 0.00 -4.05 0.12 0.00 0.42 0.00 0.00 41.96 38.45 1c2n s TYR 48 CO 0.00 -4.43 0.73 -0.35 0.64 0.00 0.00 175.55 172.14 1c2n n PRO 49 N 6.54 -0.77 -3.21 4.97 -0.04 -1.26 -4.18 135.00 137.05 1c2n n PRO 49 Ca 0.17 -0.18 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1c2n n PRO 49 Cb 0.41 -2.08 0.07 0.00 -0.04 0.00 0.00 33.50 31.86 1c2n n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1c2n n GLU 50 N -3.15 -3.58 -3.56 0.54 1.02 -1.26 -4.66 120.64 105.99 1c2n n GLU 50 Ca 0.08 0.81 -0.00 0.00 -0.02 0.00 0.00 57.16 58.02 1c2n n GLU 50 Cb 0.54 -5.59 -0.04 0.00 -0.02 0.00 0.00 31.44 26.32 1c2n n GLU 50 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1c2n s PHE 51 N -3.35 -1.04 -1.03 -0.32 5.36 -1.26 -4.82 117.98 111.51 1c2n s PHE 51 Ca 0.27 1.83 -0.23 0.00 -0.96 0.00 0.00 56.93 57.84 1c2n s PHE 51 Cb -0.04 0.62 -0.00 0.00 -0.34 0.00 0.00 43.02 43.27 1c2n s PHE 51 CO 0.69 -0.52 1.73 0.21 -1.46 0.00 0.00 175.22 175.87 1c2n s LYS 52 N 2.58 3.12 0.98 10.12 2.47 -1.26 -4.98 119.74 132.77 1c2n s LYS 52 Ca -0.05 -0.94 -0.12 0.00 -1.56 0.00 0.00 55.97 53.30 1c2n s LYS 52 Cb -0.09 -5.26 0.18 0.00 -1.46 0.00 0.00 37.83 31.20 1c2n s LYS 52 CO -0.18 -2.87 1.09 0.71 0.16 0.00 0.00 175.35 174.25 1c2n s TYR 53 N 7.53 2.07 0.18 4.03 2.02 -1.26 -5.07 117.35 126.85 1c2n s TYR 53 Ca 0.59 1.13 0.03 0.00 -0.37 0.00 0.00 57.07 58.44 1c2n s TYR 53 Cb -0.02 -3.21 -0.03 0.00 -0.40 0.00 0.00 41.96 38.30 1c2n s TYR 53 CO -0.01 -2.85 0.31 0.15 -1.57 0.00 0.00 175.55 171.58 1c2n s LYS 54 N -4.88 3.44 0.28 -0.62 -0.14 -1.26 -4.98 119.74 111.58 1c2n s LYS 54 Ca 0.65 -0.63 0.01 0.00 -1.36 0.00 0.00 55.97 54.65 1c2n s LYS 54 Cb -0.19 -2.94 0.64 0.00 -1.68 0.00 0.00 37.83 33.67 1c2n s LYS 54 CO 0.58 0.49 1.70 0.22 -0.76 0.00 0.00 175.35 177.58 1c2n h ASP 55 N 1.85 0.30 0.23 2.83 3.58 -1.98 -1.77 116.42 121.45 1c2n h ASP 55 Ca -0.49 0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 1c2n h ASP 55 Cb 1.20 0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1c2n h ASP 55 CO 0.66 0.03 -0.11 0.28 -2.88 0.00 0.00 179.24 177.22 1c2n h SER 56 N 0.41 -0.26 -0.38 2.28 0.02 -1.87 0.47 113.55 114.23 1c2n h SER 56 Ca 0.52 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 61.22 1c2n h SER 56 Cb 0.93 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1c2n h SER 56 CO -0.50 0.03 0.00 -0.29 -1.14 0.00 0.00 176.83 174.94 1c2n h ILE 57 N -0.56 1.24 -0.15 3.27 2.10 -1.72 0.10 117.51 121.79 1c2n h ILE 57 Ca -0.03 -0.98 -0.00 0.00 1.08 0.00 0.00 64.86 64.93 1c2n h ILE 57 Cb 0.41 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 37.02 1c2n h ILE 57 CO 0.05 0.34 0.09 0.58 -1.08 0.00 0.00 178.15 178.14 1c2n h VAL 58 N 0.71 1.06 -0.57 2.19 2.07 -1.20 -0.11 116.25 120.41 1c2n h VAL 58 Ca 0.14 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1c2n h VAL 58 Cb 0.44 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1c2n h VAL 58 CO 0.02 0.06 0.35 0.00 0.02 0.00 0.00 177.57 178.02 1c2n h ALA 59 N 1.02 0.72 -0.26 1.67 0.00 -0.42 0.14 119.26 122.13 1c2n h ALA 59 Ca 0.05 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1c2n h ALA 59 Cb 0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1c2n h ALA 59 CO -0.01 0.19 -0.10 1.25 0.00 0.00 0.00 179.25 180.58 1c2n h LEU 60 N 0.77 -0.36 0.11 0.00 6.46 -0.43 -0.54 115.31 121.33 1c2n h LEU 60 Ca 0.20 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 58.07 1c2n h LEU 60 Cb -0.04 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1c2n h LEU 60 CO -0.04 -0.13 -0.18 1.23 -0.62 0.00 0.00 178.44 178.70 1c2n h GLY 61 N -0.06 -0.33 1.15 3.75 0.00 -0.48 -1.97 103.07 105.13 1c2n h GLY 61 Ca 0.14 0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.77 1c2n h GLY 61 CO -0.30 -0.17 0.33 0.00 0.00 0.00 0.00 176.54 176.40 1c2n h ALA 62 N 0.47 2.08 0.00 3.60 0.00 -0.20 0.30 119.26 125.50 1c2n h ALA 62 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1c2n h ALA 62 Cb 0.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1c2n h ALA 62 CO -0.09 -0.51 0.00 0.43 0.00 0.00 0.00 179.25 179.08 1c2n n SER 63 N -3.90 0.00 -0.37 0.00 7.64 -0.26 -4.79 113.62 111.94 1c2n n SER 63 Ca 0.05 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1c2n n SER 63 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1c2n n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c2n n GLY 64 N 0.15 0.95 3.34 0.23 0.00 0.95 -5.05 105.19 105.76 1c2n n GLY 64 Ca 0.09 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1c2n n GLY 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c2n s PHE 65 N -2.70 3.28 -0.15 1.61 5.36 -0.59 -5.05 117.98 119.74 1c2n s PHE 65 Ca 0.00 -1.17 -0.16 0.00 -0.96 0.00 0.00 56.93 54.64 1c2n s PHE 65 Cb 0.00 -3.06 -0.04 0.00 -0.34 0.00 0.00 43.02 39.58 1c2n s PHE 65 CO 0.00 -0.81 0.40 0.00 -1.46 0.00 0.00 175.22 173.35 1c2n s ALA 66 N 1.55 3.53 -0.27 11.12 0.00 -1.26 -0.79 121.76 135.65 1c2n s ALA 66 Ca 0.04 -0.34 -0.28 0.00 0.00 0.00 0.00 51.96 51.37 1c2n s ALA 66 Cb -0.24 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 1c2n s ALA 66 CO 0.05 -0.03 2.09 -1.58 0.00 0.00 0.00 175.76 176.29 1c2n s TRP 67 N 0.72 1.37 0.48 0.00 0.52 -0.05 -4.83 118.94 117.15 1c2n s TRP 67 Ca 0.21 0.61 -0.01 0.00 0.02 0.00 0.00 56.10 56.93 1c2n s TRP 67 Cb -0.14 -3.98 -0.00 0.00 -1.15 0.00 0.00 33.47 28.19 1c2n s TRP 67 CO 0.08 -3.64 0.72 0.95 0.02 0.00 0.00 176.95 175.08 1c2n s THR 68 N 8.01 4.02 0.23 2.01 -4.23 -1.26 -0.41 115.64 124.01 1c2n s THR 68 Ca 0.93 -0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 61.04 1c2n s THR 68 Cb -0.29 -3.51 0.18 0.00 1.34 0.00 0.00 72.50 70.22 1c2n s THR 68 CO 0.34 -0.41 1.80 1.05 -0.54 0.00 0.00 174.62 176.86 1c2n h GLU 69 N 0.27 0.68 -0.19 3.99 4.11 -1.94 -0.14 114.58 121.36 1c2n h GLU 69 Ca -0.46 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 58.88 1c2n h GLU 69 Cb 1.25 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1c2n h GLU 69 CO 0.58 0.45 -0.07 1.05 0.07 0.00 0.00 179.01 181.09 1c2n h GLU 70 N 0.70 0.39 -0.14 1.06 4.11 -1.98 -0.28 114.58 118.45 1c2n h GLU 70 Ca 0.35 -0.16 0.03 0.00 0.07 0.00 0.00 59.36 59.65 1c2n h GLU 70 Cb 0.31 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1c2n h GLU 70 CO -0.24 0.67 -0.04 -0.44 0.07 0.00 0.00 179.01 179.03 1c2n h ASP 71 N 0.09 -0.14 0.39 3.06 3.32 -1.78 0.88 116.42 122.24 1c2n h ASP 71 Ca 0.05 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1c2n h ASP 71 Cb 0.54 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1c2n h ASP 71 CO 0.02 -0.05 -0.29 0.40 -1.72 0.00 0.00 179.24 177.60 1c2n h ILE 72 N -0.01 0.39 -0.93 0.35 2.04 -0.95 0.18 117.51 118.58 1c2n h ILE 72 Ca 0.07 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.10 1c2n h ILE 72 Cb 0.11 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 36.51 1c2n h ILE 72 CO -0.15 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.60 1c2n h ALA 73 N -0.16 1.88 0.25 1.87 0.00 -0.77 -2.00 119.26 120.33 1c2n h ALA 73 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1c2n h ALA 73 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1c2n h ALA 73 CO 0.00 -0.16 -0.12 1.15 0.00 0.00 0.00 179.25 180.12 1c2n h THR 74 N 0.65 0.00 -0.81 0.00 2.02 -0.44 -3.26 112.91 111.08 1c2n h THR 74 Ca 0.49 -0.41 0.13 0.00 0.77 0.00 0.00 66.41 67.38 1c2n h THR 74 Cb 0.87 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.15 1c2n h THR 74 CO -0.24 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 175.33 1c2n n TYR 75 N -4.05 0.03 -0.31 3.16 9.36 0.60 -0.66 117.16 125.29 1c2n n TYR 75 Ca -0.04 1.00 0.29 0.00 3.32 0.00 0.00 57.90 62.46 1c2n n TYR 75 Cb 0.13 -0.80 0.64 0.00 -0.63 0.00 0.00 39.34 38.68 1c2n n TYR 75 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1c2n h VAL 76 N 0.00 0.47 -0.06 2.97 -1.51 -1.56 0.12 116.25 116.68 1c2n h VAL 76 Ca 0.28 -0.06 -0.17 0.00 -1.23 0.00 0.00 66.70 65.52 1c2n h VAL 76 Cb 0.48 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 29.91 1c2n h VAL 76 CO -0.80 0.03 -0.70 0.11 -1.23 0.00 0.00 177.57 174.98 1c2n h LYS 77 N 0.18 0.29 -1.78 5.19 1.57 -0.81 0.87 116.57 122.08 1c2n h LYS 77 Ca 0.56 -0.23 -0.47 0.00 -1.87 0.00 0.00 60.65 58.64 1c2n h LYS 77 Cb 1.86 0.05 -0.40 0.00 0.08 0.00 0.00 32.23 33.81 1c2n h LYS 77 CO -0.14 0.87 -1.09 -0.40 -0.57 0.00 0.00 179.45 178.12 1c2n n ASP 78 N -3.82 1.72 -4.75 0.86 5.75 0.35 -4.68 116.55 111.99 1c2n n ASP 78 Ca -0.03 -3.08 -0.39 0.00 -0.01 0.00 0.00 54.79 51.28 1c2n n ASP 78 Cb 0.68 -0.58 0.04 0.00 -1.03 0.00 0.00 41.12 40.23 1c2n n ASP 78 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 1c2n s PRO 79 N -2.81 3.22 0.00 0.11 0.02 -0.86 -0.57 135.00 134.11 1c2n s PRO 79 Ca 0.39 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.69 1c2n s PRO 79 Cb 0.37 -2.32 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1c2n s PRO 79 CO -0.07 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 1c2n n GLY 80 N 0.70 1.97 0.30 0.52 0.00 -1.26 -4.44 105.19 102.98 1c2n n GLY 80 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1c2n n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2n h ALA 81 N 0.00 1.09 0.01 4.61 0.00 -1.83 0.56 119.26 123.70 1c2n h ALA 81 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1c2n h ALA 81 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1c2n h ALA 81 CO 0.00 0.21 -0.24 0.35 0.00 0.00 0.00 179.25 179.56 1c2n h PHE 82 N 0.88 -0.65 0.22 0.00 3.57 -1.05 0.30 116.94 120.22 1c2n h PHE 82 Ca 0.35 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.87 1c2n h PHE 82 Cb 0.18 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1c2n h PHE 82 CO -0.05 -0.33 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.42 1c2n h LEU 83 N -0.38 -0.56 -0.71 0.59 4.07 -1.55 0.28 115.31 117.04 1c2n h LEU 83 Ca 0.06 0.05 0.16 0.00 0.08 0.00 0.00 57.88 58.23 1c2n h LEU 83 Cb 0.46 0.19 -0.12 0.00 1.08 0.00 0.00 40.66 42.27 1c2n h LEU 83 CO -0.21 -0.31 0.04 0.11 -1.08 0.00 0.00 178.44 176.99 1c2n h LYS 84 N -0.46 0.14 0.32 1.13 1.57 -0.52 0.17 116.57 118.91 1c2n h LYS 84 Ca -0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1c2n h LYS 84 Cb 0.43 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1c2n h LYS 84 CO -0.04 0.09 -0.15 1.49 -0.57 0.00 0.00 179.45 180.26 1c2n h GLU 85 N 0.14 -0.41 -0.79 3.15 4.81 -0.61 0.29 114.58 121.16 1c2n h GLU 85 Ca 0.39 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.76 1c2n h GLU 85 Cb 0.67 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.07 1c2n h GLU 85 CO -0.60 -0.28 0.41 0.87 -0.73 0.00 0.00 179.01 178.69 1c2n h LYS 86 N -0.48 0.64 -0.00 1.92 1.79 -0.64 -0.01 116.57 119.78 1c2n h LYS 86 Ca -0.04 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1c2n h LYS 86 Cb 0.33 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1c2n h LYS 86 CO 0.07 0.42 -0.12 -0.11 -1.08 0.00 0.00 179.45 178.63 1c2n n LEU 87 N -4.84 0.47 -3.81 2.94 7.94 0.55 -4.96 117.00 115.30 1c2n n LEU 87 Ca 0.14 0.02 -0.31 0.00 -1.11 0.00 0.00 56.01 54.75 1c2n n LEU 87 Cb 0.33 -0.20 0.02 0.00 0.53 0.00 0.00 43.42 44.10 1c2n n LEU 87 CO 0.24 0.09 -0.14 -0.67 -1.11 0.00 0.00 177.39 175.80 1c2n n ASP 88 N -0.99 -3.43 -3.98 1.96 2.03 -0.02 -4.99 116.55 107.12 1c2n n ASP 88 Ca 0.14 -1.03 -0.08 0.00 0.52 0.00 0.00 54.79 54.33 1c2n n ASP 88 Cb 0.28 -3.14 -0.09 0.00 -0.72 0.00 0.00 41.12 37.45 1c2n n ASP 88 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1c2n s ASP 89 N -3.80 0.29 -0.23 1.67 2.15 -0.06 -5.03 116.67 111.66 1c2n s ASP 89 Ca 0.31 -0.72 -0.13 0.00 0.43 0.00 0.00 52.55 52.43 1c2n s ASP 89 Cb -0.12 0.22 -0.17 0.00 -0.30 0.00 0.00 42.92 42.55 1c2n s ASP 89 CO 0.88 -0.56 -0.03 1.17 -0.17 0.00 0.00 175.17 176.46 1c2n n LYS 90 N 0.47 0.62 -0.56 4.34 3.00 -1.26 -4.37 118.16 120.40 1c2n n LYS 90 Ca -0.17 0.35 -0.04 0.00 -0.00 0.00 0.00 58.31 58.45 1c2n n LYS 90 Cb 0.60 -1.62 -0.05 0.00 0.00 0.00 0.00 35.03 33.96 1c2n n LYS 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1c2n n LYS 91 N -4.03 1.13 -4.09 1.64 4.81 -1.26 -4.77 118.16 111.58 1c2n n LYS 91 Ca -0.42 -0.30 -0.32 0.00 -0.87 0.00 0.00 58.31 56.39 1c2n n LYS 91 Cb 0.86 -1.39 -0.16 0.00 0.02 0.00 0.00 35.03 34.36 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1c2n s ALA 92 N 0.73 2.30 -0.15 3.14 0.00 -1.26 -4.79 121.76 121.73 1c2n s ALA 92 Ca 0.20 -1.26 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 1c2n s ALA 92 Cb 0.10 -1.23 0.04 0.00 0.00 0.00 0.00 23.12 22.03 1c2n s ALA 92 CO 0.00 -0.50 0.40 -1.59 0.00 0.00 0.00 175.76 174.07 1c2n s LYS 93 N 1.29 0.48 0.18 0.00 -2.85 -1.26 -4.45 119.74 113.13 1c2n s LYS 93 Ca 0.03 0.54 0.05 0.00 -1.00 0.00 0.00 55.97 55.58 1c2n s LYS 93 Cb -0.14 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.83 1c2n s LYS 93 CO -0.11 -0.06 0.21 -0.08 0.10 0.00 0.00 175.35 175.41 1c2n s THR 94 N 0.17 4.79 0.61 3.79 -1.32 -1.26 -4.36 115.64 118.06 1c2n s THR 94 Ca -0.00 -1.01 0.32 0.00 -1.21 0.00 0.00 61.69 59.79 1c2n s THR 94 Cb -0.03 -3.49 0.37 0.00 -1.51 0.00 0.00 72.50 67.84 1c2n s THR 94 CO 0.01 -0.16 2.24 1.23 -2.21 0.00 0.00 174.62 175.73 1c2n h GLY 95 N 2.07 0.00 -7.23 6.08 0.00 -1.99 -3.40 103.07 98.60 1c2n h GLY 95 Ca -0.48 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 1c2n h GLY 95 CO 0.64 0.00 0.32 -0.29 0.00 0.00 0.00 176.54 177.21 1c2n s MET 96 N -4.53 1.63 -1.17 4.80 -2.45 -1.26 -4.80 119.30 111.52 1c2n s MET 96 Ca -0.05 -0.43 -0.08 0.00 -1.25 0.00 0.00 55.69 53.88 1c2n s MET 96 Cb 0.15 -5.01 -0.10 0.00 1.25 0.00 0.00 34.83 31.11 1c2n s MET 96 CO 0.51 -4.86 3.05 0.00 1.05 0.00 0.00 175.02 174.77 1c2n n ALA 97 N 17.98 7.18 -3.52 4.11 0.00 -1.26 -4.72 120.51 140.28 1c2n n ALA 97 Ca 0.43 -3.18 -0.18 0.00 0.00 0.00 0.00 53.44 50.51 1c2n n ALA 97 Cb 0.46 -3.02 -0.06 0.00 0.00 0.00 0.00 19.45 16.84 1c2n n ALA 97 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1c2n s PHE 98 N 1.36 -0.65 0.06 0.00 5.36 -1.26 -5.19 117.98 117.66 1c2n s PHE 98 Ca 0.67 1.11 -0.05 0.00 -0.96 0.00 0.00 56.93 57.70 1c2n s PHE 98 Cb 0.22 0.41 -0.02 0.00 -0.34 0.00 0.00 43.02 43.29 1c2n s PHE 98 CO -0.06 -0.59 0.08 0.15 -1.46 0.00 0.00 175.22 173.34 1c2n s LYS 99 N -1.17 0.69 -0.15 10.12 1.02 -1.26 -4.72 119.74 124.26 1c2n s LYS 99 Ca -0.10 -1.02 -0.01 0.00 0.02 0.00 0.00 55.97 54.86 1c2n s LYS 99 Cb -0.00 0.26 0.04 0.00 -0.52 0.00 0.00 37.83 37.61 1c2n s LYS 99 CO 0.10 -0.18 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.14 1c2n s LEU 100 N -2.72 1.35 -0.07 3.17 2.96 0.30 -5.00 118.68 118.67 1c2n s LEU 100 Ca 0.03 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.33 1c2n s LEU 100 Cb 0.05 -0.79 -0.23 0.00 0.50 0.00 0.00 46.19 45.72 1c2n s LEU 100 CO -0.09 -0.20 3.28 0.00 -1.32 0.00 0.00 176.35 178.02 1c2n n ALA 101 N 4.95 5.88 -3.13 5.97 0.00 -1.26 -3.05 120.51 129.86 1c2n n ALA 101 Ca -0.11 -1.71 -0.19 0.00 0.00 0.00 0.00 53.44 51.43 1c2n n ALA 101 Cb 0.48 -2.36 -0.15 0.00 0.00 0.00 0.00 19.45 17.42 1c2n n ALA 101 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1c2n s LYS 102 N 1.27 0.78 -1.61 0.00 1.02 -1.26 -5.03 119.74 114.90 1c2n s LYS 102 Ca 0.60 -0.22 -0.10 0.00 0.02 0.00 0.00 55.97 56.27 1c2n s LYS 102 Cb 0.28 -0.75 -0.07 0.00 -0.52 0.00 0.00 37.83 36.77 1c2n s LYS 102 CO -0.00 0.06 2.87 0.41 -0.92 0.00 0.00 175.35 177.77 1c2n n GLY 103 N 3.41 4.28 2.92 -3.33 0.00 -1.26 -4.47 105.19 106.74 1c2n n GLY 103 Ca -0.19 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 1c2n n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2n n GLY 104 N 3.63 0.38 0.25 -0.02 0.00 -1.23 -4.65 105.19 103.54 1c2n n GLY 104 Ca 0.75 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.59 1c2n n GLY 104 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1c2n h GLU 105 N 7.04 0.51 0.20 1.61 4.11 -1.89 0.62 114.58 126.78 1c2n h GLU 105 Ca 0.05 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 1c2n h GLU 105 Cb 0.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1c2n h GLU 105 CO 0.69 0.63 -0.10 0.38 0.07 0.00 0.00 179.01 180.69 1c2n h ASP 106 N 0.47 -0.23 -0.43 3.06 2.03 -1.82 0.11 116.42 119.61 1c2n h ASP 106 Ca 0.09 -0.04 -0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1c2n h ASP 106 Cb 0.50 0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 39.04 1c2n h ASP 106 CO 0.03 -0.12 0.27 0.58 -1.03 0.00 0.00 179.24 178.97 1c2n h VAL 107 N -0.33 1.13 -0.32 4.15 2.07 -1.72 0.86 116.25 122.10 1c2n h VAL 107 Ca -0.03 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1c2n h VAL 107 Cb 0.25 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1c2n h VAL 107 CO 0.05 0.13 0.17 0.00 0.02 0.00 0.00 177.57 177.94 1c2n h ALA 108 N 1.13 0.40 -0.85 1.67 0.00 -0.73 0.72 119.26 121.60 1c2n h ALA 108 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1c2n h ALA 108 Cb -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1c2n h ALA 108 CO -0.03 -0.20 0.51 0.00 0.00 0.00 0.00 179.25 179.52 1c2n h ALA 109 N 1.16 1.08 0.33 0.00 0.00 -0.30 0.16 119.26 121.69 1c2n h ALA 109 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1c2n h ALA 109 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1c2n h ALA 109 CO -0.08 0.54 -0.22 -0.92 0.00 0.00 0.00 179.25 178.57 1c2n h TYR 110 N 1.16 -0.58 -0.45 0.00 3.20 -0.23 0.48 116.97 120.55 1c2n h TYR 110 Ca 0.30 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.23 1c2n h TYR 110 Cb -0.04 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1c2n h TYR 110 CO -0.00 -0.34 0.30 -0.07 -1.64 0.00 0.00 178.16 176.41 1c2n h LEU 111 N -0.54 0.31 0.28 2.82 3.38 -0.43 -0.03 115.31 121.10 1c2n h LEU 111 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1c2n h LEU 111 Cb 0.45 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1c2n h LEU 111 CO 0.02 0.20 -0.14 0.00 0.09 0.00 0.00 178.44 178.61 1c2n h ALA 112 N 1.76 -0.38 -0.40 1.53 0.00 -0.16 -3.18 119.26 118.43 1c2n h ALA 112 Ca 0.20 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1c2n h ALA 112 Cb 0.33 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1c2n h ALA 112 CO -0.05 -0.54 0.28 0.66 0.00 0.00 0.00 179.25 179.60 1c2n h SER 113 N -0.72 0.24 0.02 0.00 4.64 0.37 0.33 113.55 118.43 1c2n h SER 113 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1c2n h SER 113 Cb 0.49 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1c2n h SER 113 CO 0.06 0.16 -0.01 0.58 -0.87 0.00 0.00 176.83 176.75 1c2n h VAL 114 N 0.28 0.68 -0.44 0.95 2.07 -1.04 -3.37 116.25 115.38 1c2n h VAL 114 Ca 0.18 -0.04 -0.21 0.00 0.82 0.00 0.00 66.70 67.46 1c2n h VAL 114 Cb 0.36 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1c2n h VAL 114 CO -0.04 0.01 0.61 -0.69 0.02 0.00 0.00 177.57 177.48 1c2n s VAL 115 N -4.74 3.33 0.00 2.57 1.01 0.10 -4.47 120.40 118.20 1c2n s VAL 115 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1c2n s VAL 115 Cb 0.16 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1c2n s VAL 115 CO 0.59 -0.64 0.00 2.29 0.00 0.00 0.00 175.10 177.34