#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i0n n GLY 2 N 0.00 -0.73 0.17 3.03 0.00 -1.26 -4.67 105.19 101.74 2i0n n GLY 2 Ca 0.00 0.70 0.04 0.00 0.00 0.00 0.00 46.02 46.76 2i0n n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i0n h PRO 3 N 0.00 0.00 0.00 1.61 0.13 -2.05 -3.35 132.00 128.34 2i0n h PRO 3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2i0n h PRO 3 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2i0n h PRO 3 CO 0.00 0.44 0.00 1.28 -0.23 0.00 0.00 178.00 179.49 2i0n n LEU 4 N -3.65 0.28 0.00 1.56 4.77 -1.26 -5.05 117.00 113.65 2i0n n LEU 4 Ca -0.01 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2i0n n LEU 4 Cb 0.53 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2i0n n LEU 4 CO 0.38 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2i0n n GLY 5 N 1.09 -1.95 3.82 -0.72 0.00 -1.26 -5.13 105.19 101.04 2i0n n GLY 5 Ca 0.00 0.68 -0.38 0.00 0.00 0.00 0.00 46.02 46.33 2i0n n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i0n s SER 6 N 2.00 7.01 0.82 1.61 0.15 -1.26 -4.89 113.70 119.15 2i0n s SER 6 Ca 0.00 1.24 -0.11 0.00 0.70 0.00 0.00 55.95 57.78 2i0n s SER 6 Cb 0.00 -2.35 0.08 0.00 -1.71 0.00 0.00 66.02 62.04 2i0n s SER 6 CO 0.00 0.21 1.10 -2.16 1.20 0.00 0.00 173.24 173.59 2i0n s PRO 7 N -1.38 1.93 -0.19 5.44 0.04 -1.26 -5.00 135.00 134.57 2i0n s PRO 7 Ca 0.32 0.67 0.13 0.00 0.04 0.00 0.00 61.00 62.16 2i0n s PRO 7 Cb -0.18 -1.90 -0.21 0.00 0.04 0.00 0.00 34.50 32.25 2i0n s PRO 7 CO 0.19 -1.74 0.00 -1.91 0.04 0.00 0.00 177.00 173.59 2i0n n GLU 8 N -3.52 0.93 -0.05 4.56 4.07 -1.26 -4.66 120.64 120.71 2i0n n GLU 8 Ca 0.07 0.02 -0.01 0.00 -0.06 0.00 0.00 57.16 57.18 2i0n n GLU 8 Cb 0.56 -1.47 -0.01 0.00 -0.06 0.00 0.00 31.44 30.46 2i0n n GLU 8 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 2i0n h PHE 9 N 0.00 0.00 -3.57 4.31 3.04 -1.97 -3.50 116.94 115.25 2i0n h PHE 9 Ca -0.50 0.00 0.10 0.00 3.98 0.00 0.00 57.97 61.55 2i0n h PHE 9 Cb 2.05 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 40.50 2i0n h PHE 9 CO 0.01 0.10 -0.98 0.00 -2.02 0.00 0.00 178.31 175.41 2i0n n ALA 10 N -2.77 -2.41 0.00 2.41 0.00 -1.26 -5.00 120.51 111.49 2i0n n ALA 10 Ca -0.01 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2i0n n ALA 10 Cb 0.05 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2i0n n ALA 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2i0n n LYS 11 N -3.08 0.01 -4.15 0.00 4.81 -1.24 -4.97 118.16 109.53 2i0n n LYS 11 Ca -0.03 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.30 2i0n n LYS 11 Cb 0.50 -0.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 2i0n n LYS 11 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2i0n s TYR 12 N -1.01 0.96 -0.05 5.64 1.51 -1.04 -3.90 117.35 119.46 2i0n s TYR 12 Ca 0.00 -1.21 -0.10 0.00 -1.01 0.00 0.00 57.07 54.74 2i0n s TYR 12 Cb 0.00 -0.36 0.02 0.00 -0.11 0.00 0.00 41.96 41.51 2i0n s TYR 12 CO 0.00 -0.74 0.25 0.00 -1.11 0.00 0.00 175.55 173.95 2i0n s ALA 13 N -4.10 -0.62 -0.28 3.71 0.00 -1.04 -0.77 121.76 118.66 2i0n s ALA 13 Ca 0.35 0.44 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 2i0n s ALA 13 Cb 0.05 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.03 2i0n s ALA 13 CO 0.12 -0.18 -0.02 0.50 0.00 0.00 0.00 175.76 176.18 2i0n s ARG 14 N -0.61 2.68 0.27 0.00 3.00 -0.43 0.47 118.95 124.33 2i0n s ARG 14 Ca -0.07 -1.10 -0.30 0.00 -1.00 0.00 0.00 55.73 53.27 2i0n s ARG 14 Cb -0.04 -3.12 -0.14 0.00 0.00 0.00 0.00 34.95 31.65 2i0n s ARG 14 CO 0.02 -0.51 1.24 0.00 0.00 0.00 0.00 175.30 176.05 2i0n n ALA 15 N 4.67 0.58 -0.61 6.12 0.00 0.31 -2.32 120.51 129.26 2i0n n ALA 15 Ca -0.15 0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.76 2i0n n ALA 15 Cb 0.45 -2.17 0.22 0.00 0.00 0.00 0.00 19.45 17.95 2i0n n ALA 15 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2i0n n LEU 16 N 1.52 3.52 -3.57 0.00 -0.00 0.13 -1.85 117.00 116.74 2i0n n LEU 16 Ca 0.10 -2.54 -0.07 0.00 -0.00 0.00 0.00 56.01 53.50 2i0n n LEU 16 Cb 0.32 -0.41 -0.03 0.00 -0.00 0.00 0.00 43.42 43.30 2i0n n LEU 16 CO 0.62 0.70 0.88 -1.59 -0.00 0.00 0.00 177.39 178.00 2i0n s LYS 17 N -1.97 0.48 0.40 1.47 0.00 -1.25 -4.67 119.74 114.20 2i0n s LYS 17 Ca 0.34 -0.08 -0.25 0.00 0.00 0.00 0.00 55.97 55.98 2i0n s LYS 17 Cb 0.24 0.22 -0.08 0.00 0.00 0.00 0.00 37.83 38.21 2i0n s LYS 17 CO 0.13 -0.19 1.18 -0.51 0.00 0.00 0.00 175.35 175.96 2i0n s ASP 18 N -1.83 6.51 -0.25 0.03 1.01 -1.26 -3.85 116.67 117.03 2i0n s ASP 18 Ca 0.05 2.38 -0.10 0.00 0.71 0.00 0.00 52.55 55.60 2i0n s ASP 18 Cb -0.01 -2.62 0.10 0.00 1.01 0.00 0.00 42.92 41.40 2i0n s ASP 18 CO -0.04 -0.69 0.55 -0.47 0.21 0.00 0.00 175.17 174.72 2i0n s TYR 19 N -1.39 -1.02 0.11 4.23 5.04 -1.09 -4.91 117.35 118.31 2i0n s TYR 19 Ca 0.57 1.90 0.09 0.00 -2.44 0.00 0.00 57.07 57.18 2i0n s TYR 19 Cb -0.31 0.54 -0.04 0.00 0.35 0.00 0.00 41.96 42.50 2i0n s TYR 19 CO 0.40 -0.54 -0.18 -0.80 -1.34 0.00 0.00 175.55 173.08 2i0n s ASN 20 N 2.43 3.89 -0.30 4.32 -0.87 -1.26 -2.32 114.94 120.82 2i0n s ASN 20 Ca -0.06 -0.54 -0.06 0.00 -1.57 0.00 0.00 52.86 50.63 2i0n s ASN 20 Cb -0.11 -0.56 0.16 0.00 -0.02 0.00 0.00 41.25 40.73 2i0n s ASN 20 CO -0.16 0.19 0.67 0.68 -2.57 0.00 0.00 177.10 175.90 2i0n s VAL 21 N -1.12 -0.94 -0.73 1.60 -7.23 -1.26 -4.98 120.40 105.74 2i0n s VAL 21 Ca 0.18 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.37 2i0n s VAL 21 Cb -0.11 -1.00 0.18 0.00 0.56 0.00 0.00 36.38 36.01 2i0n s VAL 21 CO 0.10 0.00 0.55 -0.55 -0.31 0.00 0.00 175.10 174.88 2i0n s SER 22 N 2.86 5.16 -0.02 4.85 0.15 -1.26 -4.38 113.70 121.05 2i0n s SER 22 Ca 0.07 -3.61 -0.08 0.00 0.70 0.00 0.00 55.95 53.03 2i0n s SER 22 Cb -0.13 -1.74 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 2i0n s SER 22 CO -0.19 -0.16 -0.15 -0.67 1.20 0.00 0.00 173.24 173.26 2i0n n ASP 23 N 2.37 1.44 0.00 5.45 2.03 -1.26 -5.05 116.55 121.53 2i0n n ASP 23 Ca 0.17 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.70 2i0n n ASP 23 Cb 0.35 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 2i0n n ASP 23 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2i0n n THR 24 N -3.89 0.00 -2.73 5.18 5.66 -1.26 -4.98 114.28 112.26 2i0n n THR 24 Ca -0.07 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.88 2i0n n THR 24 Cb 0.24 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.06 2i0n n THR 24 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2i0n n SER 25 N -1.09 1.67 -4.92 1.09 3.41 -1.26 -5.10 113.62 107.42 2i0n n SER 25 Ca 0.00 -2.42 -0.21 0.00 -0.26 0.00 0.00 58.87 55.98 2i0n n SER 25 Cb 0.00 -0.50 0.05 0.00 -0.26 0.00 0.00 64.21 63.50 2i0n n SER 25 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2i0n s LEU 26 N -3.48 3.24 -0.33 1.04 2.01 -1.26 -3.72 118.68 116.18 2i0n s LEU 26 Ca 0.28 -0.23 -0.01 0.00 0.01 0.00 0.00 54.13 54.18 2i0n s LEU 26 Cb 0.39 -2.51 0.13 0.00 0.01 0.00 0.00 46.19 44.20 2i0n s LEU 26 CO -0.01 -1.28 0.19 -0.22 1.01 0.00 0.00 176.35 176.05 2i0n s LEU 27 N -4.78 0.75 -0.10 1.79 2.96 -1.26 -4.23 118.68 113.81 2i0n s LEU 27 Ca 0.59 -1.82 -0.30 0.00 -0.22 0.00 0.00 54.13 52.39 2i0n s LEU 27 Cb -0.09 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.26 2i0n s LEU 27 CO 0.39 -0.35 1.30 -2.16 -1.32 0.00 0.00 176.35 174.20 2i0n s PRO 28 N 1.48 4.27 0.41 0.98 0.04 -1.26 -4.74 135.00 136.17 2i0n s PRO 28 Ca 0.15 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.98 2i0n s PRO 28 Cb -0.20 -3.69 -0.02 0.00 0.04 0.00 0.00 34.50 30.63 2i0n s PRO 28 CO -0.13 -0.62 0.14 -0.59 0.04 0.00 0.00 177.00 175.84 2i0n s PHE 29 N 2.99 1.78 0.36 0.56 -0.12 -0.98 -4.99 117.98 117.58 2i0n s PHE 29 Ca 0.58 -1.33 0.08 0.00 -0.05 0.00 0.00 56.93 56.21 2i0n s PHE 29 Cb -0.25 -1.13 -0.04 0.00 -0.63 0.00 0.00 43.02 40.97 2i0n s PHE 29 CO 0.20 -0.35 0.21 0.21 -0.05 0.00 0.00 175.22 175.44 2i0n s LYS 30 N -3.68 2.44 1.10 1.99 2.20 -1.26 -2.66 119.74 119.88 2i0n s LYS 30 Ca 0.24 -1.54 -0.17 0.00 -0.36 0.00 0.00 55.97 54.14 2i0n s LYS 30 Cb 0.02 -2.23 0.16 0.00 -1.51 0.00 0.00 37.83 34.26 2i0n s LYS 30 CO 0.15 0.04 0.19 -2.13 -0.36 0.00 0.00 175.35 173.25 2i0n n ARG 31 N -1.26 -2.18 -3.88 4.03 0.63 -1.25 -3.44 116.66 109.31 2i0n n ARG 31 Ca -0.02 -0.64 -0.28 0.00 -0.92 0.00 0.00 57.85 56.00 2i0n n ARG 31 Cb 0.61 -1.61 -0.02 0.00 0.45 0.00 0.00 32.46 31.89 2i0n n ARG 31 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2i0n n ASN 32 N -1.80 -1.36 -4.16 6.15 0.23 -0.77 -4.84 115.26 108.70 2i0n n ASN 32 Ca 0.04 -0.89 -0.31 0.00 -0.53 0.00 0.00 54.58 52.89 2i0n n ASN 32 Cb 0.51 -1.08 -0.17 0.00 -2.08 0.00 0.00 39.78 36.95 2i0n n ASN 32 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2i0n s ASP 33 N -3.98 2.84 -0.72 0.53 -1.08 -1.11 -4.92 116.67 108.25 2i0n s ASP 33 Ca 0.20 -0.52 -0.26 0.00 -0.52 0.00 0.00 52.55 51.45 2i0n s ASP 33 Cb -0.11 -1.30 0.04 0.00 -1.46 0.00 0.00 42.92 40.09 2i0n s ASP 33 CO 0.68 0.11 1.20 -0.63 0.52 0.00 0.00 175.17 177.05 2i0n s ILE 34 N 0.57 3.87 -0.28 4.11 -1.09 -1.26 0.12 121.20 127.24 2i0n s ILE 34 Ca -0.14 0.22 -0.23 0.00 -2.23 0.00 0.00 60.65 58.28 2i0n s ILE 34 Cb -0.17 -4.86 -0.01 0.00 -1.58 0.00 0.00 42.46 35.84 2i0n s ILE 34 CO 0.04 -1.76 0.75 -0.63 -1.23 0.00 0.00 174.94 172.11 2i0n s ILE 35 N 5.33 4.86 -0.55 2.92 1.01 0.18 -4.88 121.20 130.06 2i0n s ILE 35 Ca 0.32 1.25 -0.26 0.00 0.00 0.00 0.00 60.65 61.95 2i0n s ILE 35 Cb -0.10 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.22 2i0n s ILE 35 CO 0.14 -0.13 2.39 -0.89 0.00 0.00 0.00 174.94 176.45 2i0n s THR 36 N 2.79 3.02 -0.65 2.92 2.01 -0.87 -2.51 115.64 122.35 2i0n s THR 36 Ca 0.31 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 62.04 2i0n s THR 36 Cb -0.15 -3.06 -0.12 0.00 0.01 0.00 0.00 72.50 69.19 2i0n s THR 36 CO 0.10 -0.06 2.51 -0.38 -0.69 0.00 0.00 174.62 176.10 2i0n n ILE 37 N 8.10 -0.06 0.02 1.82 2.08 -1.25 -2.64 119.36 127.43 2i0n n ILE 37 Ca 0.38 -0.56 -0.16 0.00 0.56 0.00 0.00 62.75 62.97 2i0n n ILE 37 Cb 0.53 -2.09 -0.14 0.00 -0.75 0.00 0.00 39.64 37.19 2i0n n ILE 37 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2i0n h THR 38 N 7.80 0.89 -0.73 1.39 1.35 -1.84 -3.44 112.91 118.33 2i0n h THR 38 Ca -0.18 -2.62 0.10 0.00 -0.55 0.00 0.00 66.41 63.15 2i0n h THR 38 Cb 1.28 2.58 -0.20 0.00 -1.73 0.00 0.00 68.15 70.08 2i0n h THR 38 CO 1.23 0.75 -0.25 0.12 -0.25 0.00 0.00 175.52 177.13 2i0n s PHE 39 N -2.59 -1.36 0.00 4.73 5.36 0.83 -5.01 117.98 119.94 2i0n s PHE 39 Ca -0.12 0.78 0.00 0.00 -0.96 0.00 0.00 56.93 56.63 2i0n s PHE 39 Cb 0.07 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.98 2i0n s PHE 39 CO 0.82 -0.80 0.00 1.63 -1.46 0.00 0.00 175.22 175.41 2i0n n LYS 40 N 5.28 1.00 -1.80 10.12 4.01 -1.26 -1.40 118.16 134.11 2i0n n LYS 40 Ca 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 2i0n n LYS 40 Cb 0.55 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.07 2i0n n LYS 40 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2i0n n ASP 41 N 0.00 1.65 -0.06 4.39 5.75 -1.25 -4.46 116.55 122.57 2i0n n ASP 41 Ca 0.00 -0.90 0.02 0.00 -0.01 0.00 0.00 54.79 53.90 2i0n n ASP 41 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 2i0n n ASP 41 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2i0n n GLN 42 N 0.00 1.52 0.00 0.11 7.27 -1.26 -4.71 117.38 120.30 2i0n n GLN 42 Ca 0.00 -1.31 0.00 0.00 0.07 0.00 0.00 57.00 55.76 2i0n n GLN 42 Cb 0.00 -0.87 0.00 0.00 2.41 0.00 0.00 30.24 31.78 2i0n n GLN 42 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2i0n n GLU 43 N -0.44 1.47 -3.22 3.69 1.02 -1.26 -5.05 120.64 116.85 2i0n n GLU 43 Ca 0.02 -1.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.02 2i0n n GLU 43 Cb 0.43 -0.82 0.01 0.00 -0.02 0.00 0.00 31.44 31.04 2i0n n GLU 43 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2i0n n ASN 44 N -0.27 -6.87 0.00 1.62 2.85 -1.26 -4.88 115.26 106.46 2i0n n ASN 44 Ca 0.00 -0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 2i0n n ASN 44 Cb 0.29 -3.96 0.00 0.00 1.24 0.00 0.00 39.78 37.35 2i0n n ASN 44 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2i0n n LYS 45 N -1.15 0.00 -4.20 1.20 5.02 -1.26 -4.96 118.16 112.81 2i0n n LYS 45 Ca -0.04 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.08 2i0n n LYS 45 Cb 0.56 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.46 2i0n n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2i0n s TRP 46 N -0.98 1.26 -0.02 2.13 0.52 -1.26 -3.25 118.94 117.34 2i0n s TRP 46 Ca 0.00 -0.55 0.02 0.00 0.02 0.00 0.00 56.10 55.59 2i0n s TRP 46 Cb 0.00 -0.68 0.00 0.00 -1.15 0.00 0.00 33.47 31.64 2i0n s TRP 46 CO 0.00 0.08 -0.07 -0.06 0.02 0.00 0.00 176.95 176.92 2i0n s PHE 47 N -1.96 0.75 -0.42 -1.98 0.40 0.28 -3.74 117.98 111.31 2i0n s PHE 47 Ca 0.05 -0.16 -0.12 0.00 -0.60 0.00 0.00 56.93 56.09 2i0n s PHE 47 Cb -0.06 -0.53 0.06 0.00 0.51 0.00 0.00 43.02 43.00 2i0n s PHE 47 CO 0.02 -0.06 0.29 -1.64 0.70 0.00 0.00 175.22 174.53 2i0n s MET 48 N 0.10 2.81 0.34 0.44 -1.94 -0.50 -1.48 119.30 119.07 2i0n s MET 48 Ca -0.01 -1.28 0.05 0.00 -1.71 0.00 0.00 55.69 52.74 2i0n s MET 48 Cb -0.06 -3.89 -0.03 0.00 2.01 0.00 0.00 34.83 32.86 2i0n s MET 48 CO -0.00 -0.88 0.21 0.20 -0.01 0.00 0.00 175.02 174.54 2i0n s GLY 49 N 2.05 2.34 -0.10 -0.03 0.00 -1.08 -0.12 107.32 110.38 2i0n s GLY 49 Ca 0.03 -1.76 -0.16 0.00 0.00 0.00 0.00 44.72 42.83 2i0n s GLY 49 CO 0.05 -1.59 0.41 1.62 0.00 0.00 0.00 173.10 173.60 2i0n s GLN 50 N -3.61 0.61 0.00 2.90 -0.44 -1.08 -1.28 119.66 116.76 2i0n s GLN 50 Ca 0.35 0.29 0.00 0.00 -2.50 0.00 0.00 55.36 53.50 2i0n s GLN 50 Cb 0.03 0.29 0.00 0.00 -1.64 0.00 0.00 33.01 31.69 2i0n s GLN 50 CO 0.22 -0.13 0.00 1.47 0.50 0.00 0.00 175.29 177.35 2i0n n LEU 51 N 2.11 0.00 -4.49 3.68 -0.00 0.87 -2.05 117.00 117.13 2i0n n LEU 51 Ca -0.17 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.68 2i0n n LEU 51 Cb 0.57 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.84 2i0n n LEU 51 CO 0.17 0.00 1.62 0.59 -0.00 0.00 0.00 177.39 179.76 2i0n n ASN 52 N 0.00 -0.10 -2.83 1.45 3.02 -1.26 -2.87 115.26 112.66 2i0n n ASN 52 Ca 0.00 -1.09 -0.11 0.00 -0.03 0.00 0.00 54.58 53.35 2i0n n ASN 52 Cb 0.00 -1.04 -0.02 0.00 -0.61 0.00 0.00 39.78 38.11 2i0n n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i0n n GLY 53 N 5.96 -0.42 2.90 7.41 0.00 -1.26 -4.86 105.19 114.93 2i0n n GLY 53 Ca 0.53 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.45 2i0n n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i0n s LYS 54 N -5.06 0.03 -0.05 1.61 2.47 -1.14 -5.15 119.74 112.46 2i0n s LYS 54 Ca 0.21 0.04 0.03 0.00 -1.56 0.00 0.00 55.97 54.70 2i0n s LYS 54 Cb -0.12 0.01 0.01 0.00 -1.46 0.00 0.00 37.83 36.26 2i0n s LYS 54 CO 0.26 -0.01 -0.13 -1.83 0.16 0.00 0.00 175.35 173.81 2i0n s GLU 55 N 0.04 1.51 0.00 4.03 -1.05 -1.26 -0.09 118.70 121.88 2i0n s GLU 55 Ca -0.00 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.39 2i0n s GLU 55 Cb -0.00 -1.30 0.00 0.00 -0.44 0.00 0.00 34.13 32.39 2i0n s GLU 55 CO -0.00 0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.73 2i0n n GLY 56 N 3.49 3.44 3.15 -3.83 0.00 -0.41 -4.44 105.19 106.59 2i0n n GLY 56 Ca -0.20 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 2i0n n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i0n s SER 57 N 2.00 1.10 -0.05 1.61 0.01 -1.24 -2.64 113.70 114.49 2i0n s SER 57 Ca 0.00 -0.91 -0.30 0.00 1.31 0.00 0.00 55.95 56.05 2i0n s SER 57 Cb 0.00 0.08 0.09 0.00 0.21 0.00 0.00 66.02 66.40 2i0n s SER 57 CO 0.00 -0.41 0.78 0.72 0.41 0.00 0.00 173.24 174.74 2i0n s PHE 58 N -3.16 -0.53 0.80 2.43 -0.71 -0.55 -4.25 117.98 112.00 2i0n s PHE 58 Ca 0.08 0.80 -0.11 0.00 -1.04 0.00 0.00 56.93 56.66 2i0n s PHE 58 Cb 0.02 0.45 0.07 0.00 -1.21 0.00 0.00 43.02 42.35 2i0n s PHE 58 CO -0.04 -0.56 1.09 -1.25 -1.34 0.00 0.00 175.22 173.13 2i0n s PRO 59 N -1.68 2.05 0.02 1.99 0.04 -1.26 0.10 135.00 136.28 2i0n s PRO 59 Ca -0.05 1.12 -0.25 0.00 0.04 0.00 0.00 61.00 61.86 2i0n s PRO 59 Cb -0.00 -1.88 -0.18 0.00 0.04 0.00 0.00 34.50 32.48 2i0n s PRO 59 CO 0.03 -1.77 1.44 0.28 0.04 0.00 0.00 177.00 177.02 2i0n h VAL 60 N -1.22 1.14 -0.35 -0.36 2.07 -1.85 -2.78 116.25 112.90 2i0n h VAL 60 Ca -0.44 -0.65 0.10 0.00 0.82 0.00 0.00 66.70 66.53 2i0n h VAL 60 Cb 1.24 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 2i0n h VAL 60 CO 0.52 0.16 0.47 -0.78 0.02 0.00 0.00 177.57 177.96 2i0n h ASP 61 N -0.35 0.00 1.10 0.57 1.82 -1.93 0.23 116.42 117.86 2i0n h ASP 61 Ca -0.01 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.51 2i0n h ASP 61 Cb 0.32 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 2i0n h ASP 61 CO 0.01 0.00 -0.57 0.45 -1.61 0.00 0.00 179.24 177.53 2i0n h HIS 62 N 0.00 0.00 -3.99 0.28 3.86 -1.87 -3.45 115.15 109.97 2i0n h HIS 62 Ca 0.17 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.99 2i0n h HIS 62 Cb 1.10 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.28 2i0n h HIS 62 CO 0.00 0.57 -0.78 0.14 0.86 0.00 0.00 177.93 178.72 2i0n s VAL 63 N -3.19 0.66 0.07 2.45 -7.23 0.81 0.19 120.40 114.16 2i0n s VAL 63 Ca 0.02 -0.35 -0.11 0.00 -1.81 0.00 0.00 61.98 59.72 2i0n s VAL 63 Cb 0.10 -0.56 -0.06 0.00 0.56 0.00 0.00 36.38 36.42 2i0n s VAL 63 CO 0.74 0.19 0.41 -0.70 -0.31 0.00 0.00 175.10 175.43 2i0n s GLU 64 N -0.16 3.79 -0.50 4.82 2.56 -0.98 -4.77 118.70 123.45 2i0n s GLU 64 Ca 0.03 0.23 -0.20 0.00 0.00 0.00 0.00 54.97 55.03 2i0n s GLU 64 Cb -0.04 -3.03 0.05 0.00 2.00 0.00 0.00 34.13 33.11 2i0n s GLU 64 CO -0.00 0.58 0.65 0.42 -0.56 0.00 0.00 175.26 176.35 2i0n s ILE 65 N -1.34 4.83 -0.27 -3.70 -1.09 -1.26 -1.31 121.20 117.06 2i0n s ILE 65 Ca 0.31 -0.38 -0.09 0.00 -2.23 0.00 0.00 60.65 58.27 2i0n s ILE 65 Cb -0.14 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.40 2i0n s ILE 65 CO 0.17 -0.81 0.11 -1.48 -1.23 0.00 0.00 174.94 171.70 2i0n s LEU 66 N 2.75 3.70 0.00 2.97 0.05 0.05 -4.84 118.68 123.36 2i0n s LEU 66 Ca 0.17 -0.22 0.00 0.00 0.05 0.00 0.00 54.13 54.13 2i0n s LEU 66 Cb -0.18 -1.98 0.00 0.00 -2.05 0.00 0.00 46.19 41.98 2i0n s LEU 66 CO 0.13 -0.07 0.16 -0.11 -0.55 0.00 0.00 176.35 175.91 2i0n n LEU 67 N 4.97 0.00 0.10 1.48 7.94 -1.26 -2.49 117.00 127.73 2i0n n LEU 67 Ca -0.15 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 2i0n n LEU 67 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2i0n n LEU 67 CO 0.32 0.00 -0.00 -1.20 -1.11 0.00 0.00 177.39 175.39 2i0n n SER 68 N -0.27 0.43 0.00 1.96 7.64 -1.26 -3.02 113.62 119.10 2i0n n SER 68 Ca 0.00 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.20 2i0n n SER 68 Cb 0.00 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2i0n n SER 68 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2i0n n ASP 69 N -3.49 0.00 -3.65 6.43 2.03 -1.26 -4.46 116.55 112.16 2i0n n ASP 69 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 2i0n n ASP 69 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.34 2i0n n ASP 69 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2i0n s VAL 70 N 0.00 0.00 -0.35 5.18 0.11 -1.26 -5.11 120.40 118.97 2i0n s VAL 70 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 2i0n s VAL 70 Cb 0.00 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2i0n s VAL 70 CO 0.00 0.00 1.53 -2.16 -3.33 0.00 0.00 175.10 171.14 2i0n s PRO 71 N -0.06 3.58 0.46 1.54 0.04 -1.26 -5.00 135.00 134.30 2i0n s PRO 71 Ca 0.07 1.20 -0.07 0.00 0.04 0.00 0.00 61.00 62.24 2i0n s PRO 71 Cb -0.05 -4.06 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 2i0n s PRO 71 CO -0.13 -1.56 0.78 -1.25 0.04 0.00 0.00 177.00 174.88 2i0n s PRO 72 N 5.01 3.62 0.49 0.56 0.04 -1.26 -5.09 135.00 138.38 2i0n s PRO 72 Ca 0.67 0.30 -0.08 0.00 0.04 0.00 0.00 61.00 61.93 2i0n s PRO 72 Cb -0.18 -2.38 0.12 0.00 0.04 0.00 0.00 34.50 32.10 2i0n s PRO 72 CO 0.31 -0.15 0.52 -0.35 0.04 0.00 0.00 177.00 177.37 2i0n n PRO 73 N -1.92 -1.40 -3.65 0.56 -0.04 -1.26 -5.03 135.00 122.25 2i0n n PRO 73 Ca 0.01 -0.81 -0.36 0.00 -0.04 0.00 0.00 63.50 62.30 2i0n n PRO 73 Cb 0.55 -0.67 -0.06 0.00 -0.04 0.00 0.00 33.50 33.28 2i0n n PRO 73 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2i0n s GLN 74 N -4.15 3.70 0.64 0.54 -1.52 -1.26 -4.95 119.66 112.66 2i0n s GLN 74 Ca 0.32 0.13 -0.15 0.00 -1.95 0.00 0.00 55.36 53.70 2i0n s GLN 74 Cb -0.02 -3.12 -0.01 0.00 -0.22 0.00 0.00 33.01 29.64 2i0n s GLN 74 CO 0.23 0.66 1.09 -1.25 -0.25 0.00 0.00 175.29 175.77 2i0n s PRO 75 N -1.47 2.98 -0.29 2.91 0.04 -1.26 -5.06 135.00 132.85 2i0n s PRO 75 Ca 0.26 1.30 -0.08 0.00 0.04 0.00 0.00 61.00 62.52 2i0n s PRO 75 Cb -0.14 -1.98 0.14 0.00 0.04 0.00 0.00 34.50 32.56 2i0n s PRO 75 CO 0.14 -1.10 0.61 0.54 0.04 0.00 0.00 177.00 177.23 2i0n s VAL 76 N -2.42 -0.96 0.46 -0.36 0.11 -1.26 -5.15 120.40 110.82 2i0n s VAL 76 Ca 0.65 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.78 2i0n s VAL 76 Cb -0.19 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 33.68 2i0n s VAL 76 CO 0.41 0.00 0.26 -1.00 -3.33 0.00 0.00 175.10 171.44 2i0n s HIS 77 N 2.86 2.27 0.74 1.54 3.76 -1.26 -5.12 115.29 120.08 2i0n s HIS 77 Ca -0.00 -0.68 -0.11 0.00 -0.15 0.00 0.00 55.06 54.12 2i0n s HIS 77 Cb -0.13 -1.95 0.03 0.00 1.11 0.00 0.00 32.58 31.65 2i0n s HIS 77 CO -0.19 -0.05 1.07 -1.25 -0.85 0.00 0.00 174.74 173.48 2i0n s PRO 78 N -4.05 2.59 -0.11 8.40 0.04 -1.26 -5.07 135.00 135.54 2i0n s PRO 78 Ca 0.37 1.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.34 2i0n s PRO 78 Cb 0.01 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.63 2i0n s PRO 78 CO 0.21 -1.37 0.28 0.54 0.04 0.00 0.00 177.00 176.71 2i0n s VAL 79 N -2.99 -0.00 0.00 -0.36 0.11 -1.26 -5.35 120.40 110.54 2i0n s VAL 79 Ca 0.60 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.66 2i0n s VAL 79 Cb -0.15 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 2i0n s VAL 79 CO 0.55 0.01 0.00 0.00 -3.33 0.00 0.00 175.10 172.33