#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 0.48 0.15 -5.12 0.00 -1.26 -5.01 105.19 94.42 2i0n n GLY 2 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -7.07 1.61 0.13 -2.06 -3.45 132.00 121.16 2i0n h PRO 3 Ca -0.12 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.56 2i0n h PRO 3 Cb 0.63 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.82 2i0n h PRO 3 CO 0.17 0.57 0.11 -0.51 -0.23 0.00 0.00 178.00 178.10 2i0n s LEU 4 N -7.45 3.07 0.00 1.56 1.02 -1.26 -5.07 118.68 110.55 2i0n s LEU 4 Ca -0.01 0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.42 2i0n s LEU 4 Cb 0.12 -3.05 0.00 0.00 0.02 0.00 0.00 46.19 43.28 2i0n s LEU 4 CO 0.75 -1.34 0.00 0.61 0.02 0.00 0.00 176.35 176.39 2i0n n GLY 5 N -2.63 -1.19 3.75 -3.19 0.00 -1.26 -4.78 105.19 95.90 2i0n n GLY 5 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2i0n n GLY 5 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i0n s SER 6 N -1.76 7.05 -0.08 1.61 1.04 -1.26 -4.80 113.70 115.51 2i0n s SER 6 Ca 0.00 1.25 -0.13 0.00 0.48 0.00 0.00 55.95 57.56 2i0n s SER 6 Cb 0.00 -2.40 -0.09 0.00 0.10 0.00 0.00 66.02 63.62 2i0n s SER 6 CO 0.00 0.05 0.48 1.55 0.98 0.00 0.00 173.24 176.30 2i0n h PRO 7 N 5.75 -0.18 -2.24 4.02 0.13 -1.98 -3.41 132.00 134.09 2i0n h PRO 7 Ca -0.44 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.11 2i0n h PRO 7 Cb 1.20 0.04 -0.41 0.00 0.13 0.00 0.00 31.00 31.96 2i0n h PRO 7 CO 0.71 0.10 -0.75 -1.91 -0.23 0.00 0.00 178.00 175.92 2i0n n GLU 8 N -4.88 1.85 -3.27 0.86 2.13 -1.26 -5.02 120.64 111.05 2i0n n GLU 8 Ca -0.05 -4.19 -0.04 0.00 0.66 0.00 0.00 57.16 53.54 2i0n n GLU 8 Cb 0.18 -1.95 -0.05 0.00 0.27 0.00 0.00 31.44 29.89 2i0n n GLU 8 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2i0n s PHE 9 N -1.90 -1.13 -0.02 4.31 0.08 -1.26 -5.01 117.98 113.04 2i0n s PHE 9 Ca 0.37 1.16 0.04 0.00 0.12 0.00 0.00 56.93 58.62 2i0n s PHE 9 Cb 0.13 0.23 -0.06 0.00 -0.57 0.00 0.00 43.02 42.74 2i0n s PHE 9 CO -0.06 -0.79 0.06 0.00 -0.10 0.00 0.00 175.22 174.33 2i0n n ALA 10 N 5.39 2.03 -0.70 5.36 0.00 -1.26 -4.92 120.51 126.41 2i0n n ALA 10 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2i0n n ALA 10 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2i0n n ALA 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2i0n n LYS 11 N -1.91 0.00 -3.59 0.00 5.02 -1.26 -4.01 118.16 112.40 2i0n n LYS 11 Ca -0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.11 2i0n n LYS 11 Cb 0.38 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.34 2i0n n LYS 11 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2i0n n TYR 12 N 0.00 -0.56 -3.60 2.13 4.02 -1.09 -4.13 117.16 113.93 2i0n n TYR 12 Ca 0.00 -2.00 -0.14 0.00 -0.01 0.00 0.00 57.90 55.74 2i0n n TYR 12 Cb 0.00 0.21 -0.07 0.00 -0.02 0.00 0.00 39.34 39.46 2i0n n TYR 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2i0n s ALA 13 N -2.96 -1.80 0.29 -0.72 0.00 -1.08 -1.33 121.76 114.15 2i0n s ALA 13 Ca 0.28 1.83 0.06 0.00 0.00 0.00 0.00 51.96 54.13 2i0n s ALA 13 Cb 0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2i0n s ALA 13 CO 0.20 -0.34 0.40 0.50 0.00 0.00 0.00 175.76 176.53 2i0n s ARG 14 N -0.06 3.25 -0.31 0.00 6.06 -0.86 0.92 118.95 127.95 2i0n s ARG 14 Ca -0.02 -0.91 -0.14 0.00 -2.50 0.00 0.00 55.73 52.16 2i0n s ARG 14 Cb -0.04 -2.83 -0.03 0.00 0.06 0.00 0.00 34.95 32.12 2i0n s ARG 14 CO 0.02 0.25 0.33 0.00 -2.50 0.00 0.00 175.30 173.40 2i0n s ALA 15 N -2.09 3.52 -0.04 6.12 0.00 0.66 -0.45 121.76 129.49 2i0n s ALA 15 Ca 0.39 -1.07 0.22 0.00 0.00 0.00 0.00 51.96 51.50 2i0n s ALA 15 Cb -0.09 -2.71 0.60 0.00 0.00 0.00 0.00 23.12 20.91 2i0n s ALA 15 CO 0.30 -0.84 1.69 -0.07 0.00 0.00 0.00 175.76 176.84 2i0n h LEU 16 N 8.62 0.00 -7.00 0.00 -0.00 0.68 0.46 115.31 118.07 2i0n h LEU 16 Ca -0.31 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.58 2i0n h LEU 16 Cb 1.16 0.00 -0.22 0.00 -0.00 0.00 0.00 40.66 41.60 2i0n h LEU 16 CO 0.65 0.27 0.34 -1.59 -0.00 0.00 0.00 178.44 178.11 2i0n s LYS 17 N -3.38 0.76 0.77 1.13 -2.85 -1.22 -4.43 119.74 110.53 2i0n s LYS 17 Ca 0.03 0.44 -0.15 0.00 -1.00 0.00 0.00 55.97 55.28 2i0n s LYS 17 Cb 0.09 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 36.20 2i0n s LYS 17 CO 0.67 -0.18 0.57 -0.40 0.10 0.00 0.00 175.35 176.10 2i0n n ASP 18 N 1.49 -1.13 -3.62 0.03 5.75 -1.26 -4.24 116.55 113.56 2i0n n ASP 18 Ca -0.14 0.55 -0.04 0.00 -0.01 0.00 0.00 54.79 55.15 2i0n n ASP 18 Cb 0.57 -1.24 -0.06 0.00 -1.03 0.00 0.00 41.12 39.35 2i0n n ASP 18 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2i0n s TYR 19 N -2.00 -0.94 0.51 2.11 5.04 -0.33 -4.80 117.35 116.96 2i0n s TYR 19 Ca 0.65 1.80 0.04 0.00 -2.44 0.00 0.00 57.07 57.12 2i0n s TYR 19 Cb -0.32 0.56 0.03 0.00 0.35 0.00 0.00 41.96 42.58 2i0n s TYR 19 CO 0.59 -0.46 0.71 -0.80 -1.34 0.00 0.00 175.55 174.25 2i0n s ASN 20 N 1.81 5.34 -0.06 4.32 0.01 -1.26 -2.66 114.94 122.45 2i0n s ASN 20 Ca -0.08 -0.24 -0.20 0.00 -0.71 0.00 0.00 52.86 51.62 2i0n s ASN 20 Cb -0.06 -0.66 0.04 0.00 0.41 0.00 0.00 41.25 40.99 2i0n s ASN 20 CO -0.18 -1.06 0.46 0.68 -1.51 0.00 0.00 177.10 175.48 2i0n s VAL 21 N -2.63 0.03 -0.40 1.60 -7.23 -1.26 -4.92 120.40 105.59 2i0n s VAL 21 Ca 0.57 -0.23 0.01 0.00 -1.81 0.00 0.00 61.98 60.52 2i0n s VAL 21 Cb -0.10 -0.74 0.14 0.00 0.56 0.00 0.00 36.38 36.24 2i0n s VAL 21 CO 0.37 -0.13 0.24 -0.44 -0.31 0.00 0.00 175.10 174.83 2i0n s SER 22 N -0.95 3.20 0.00 4.85 0.01 -1.26 -4.93 113.70 114.63 2i0n s SER 22 Ca -0.10 -2.47 0.00 0.00 1.31 0.00 0.00 55.95 54.70 2i0n s SER 22 Cb -0.03 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.49 2i0n s SER 22 CO 0.05 -0.28 0.00 0.47 0.41 0.00 0.00 173.24 173.89 2i0n n ASP 23 N 3.71 0.00 0.00 2.44 8.00 -1.26 -5.09 116.55 124.34 2i0n n ASP 23 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2i0n n ASP 23 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2i0n n ASP 23 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2i0n n THR 24 N 0.00 0.00 -1.60 -3.53 -2.24 -1.26 -4.96 114.28 100.69 2i0n n THR 24 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 2i0n n THR 24 Cb 0.00 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.30 2i0n n THR 24 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2i0n n SER 25 N -1.66 6.25 -3.31 3.42 3.41 -1.26 -5.00 113.62 115.48 2i0n n SER 25 Ca 0.00 -3.77 -0.09 0.00 -0.26 0.00 0.00 58.87 54.75 2i0n n SER 25 Cb 0.00 -0.71 0.02 0.00 -0.26 0.00 0.00 64.21 63.26 2i0n n SER 25 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2i0n n LEU 26 N -0.86 0.00 -3.31 1.04 7.99 -1.26 -3.07 117.00 117.54 2i0n n LEU 26 Ca 0.54 -1.16 -0.08 0.00 -0.01 0.00 0.00 56.01 55.30 2i0n n LEU 26 Cb 0.83 -0.15 -0.06 0.00 -0.11 0.00 0.00 43.42 43.93 2i0n n LEU 26 CO 0.61 -0.55 -0.04 -0.22 -1.51 0.00 0.00 177.39 175.68 2i0n s LEU 27 N 0.00 -0.79 -0.17 2.23 2.96 -1.26 -3.90 118.68 117.76 2i0n s LEU 27 Ca 0.24 0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 53.88 2i0n s LEU 27 Cb -0.02 1.22 -0.00 0.00 0.50 0.00 0.00 46.19 47.89 2i0n s LEU 27 CO 0.15 -0.32 1.09 -2.16 -1.32 0.00 0.00 176.35 173.79 2i0n s PRO 28 N 2.58 4.31 0.23 0.98 0.04 -1.26 -4.80 135.00 137.08 2i0n s PRO 28 Ca 0.12 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.62 2i0n s PRO 28 Cb -0.14 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2i0n s PRO 28 CO -0.23 -0.54 0.15 -0.59 0.04 0.00 0.00 177.00 175.84 2i0n s PHE 29 N 2.81 1.31 0.37 0.56 -0.12 -1.09 -5.01 117.98 116.82 2i0n s PHE 29 Ca 0.48 -1.41 0.08 0.00 -0.05 0.00 0.00 56.93 56.03 2i0n s PHE 29 Cb -0.18 -0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 41.55 2i0n s PHE 29 CO 0.13 -0.64 0.28 0.21 -0.05 0.00 0.00 175.22 175.15 2i0n s LYS 30 N -4.02 2.53 1.05 1.99 2.20 -1.26 -1.19 119.74 121.04 2i0n s LYS 30 Ca 0.39 -1.49 -0.16 0.00 -0.36 0.00 0.00 55.97 54.35 2i0n s LYS 30 Cb 0.06 -2.33 0.12 0.00 -1.51 0.00 0.00 37.83 34.18 2i0n s LYS 30 CO 0.15 -0.03 0.08 -2.13 -0.36 0.00 0.00 175.35 173.06 2i0n n ARG 31 N -1.38 -1.92 -3.94 4.03 0.63 -1.26 -3.55 116.66 109.27 2i0n n ARG 31 Ca 0.00 -0.56 -0.31 0.00 -0.92 0.00 0.00 57.85 56.06 2i0n n ARG 31 Cb 0.61 -1.51 -0.00 0.00 0.45 0.00 0.00 32.46 32.01 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 -1.08 -2.11 -4.15 6.15 0.23 0.16 -4.79 115.26 109.66 2i0n n ASN 32 Ca 0.04 -0.90 -0.29 0.00 -0.53 0.00 0.00 54.58 52.89 2i0n n ASN 32 Cb 0.47 -1.09 -0.17 0.00 -2.08 0.00 0.00 39.78 36.92 2i0n n ASN 32 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2i0n s ASP 33 N -3.98 2.65 -0.56 0.53 1.01 -1.14 -4.81 116.67 110.36 2i0n s ASP 33 Ca 0.27 -0.47 -0.28 0.00 0.71 0.00 0.00 52.55 52.79 2i0n s ASP 33 Cb -0.15 -1.21 0.03 0.00 1.01 0.00 0.00 42.92 42.60 2i0n s ASP 33 CO 0.68 0.12 1.14 -0.63 0.21 0.00 0.00 175.17 176.69 2i0n s ILE 34 N 0.45 4.10 -0.19 0.77 -1.09 -1.26 0.24 121.20 124.21 2i0n s ILE 34 Ca -0.17 0.83 -0.21 0.00 -2.23 0.00 0.00 60.65 58.87 2i0n s ILE 34 Cb -0.17 -4.68 -0.03 0.00 -1.58 0.00 0.00 42.46 36.00 2i0n s ILE 34 CO 0.07 -1.27 0.63 -0.63 -1.23 0.00 0.00 174.94 172.52 2i0n s ILE 35 N 4.73 5.02 -0.83 2.92 1.01 0.26 -4.76 121.20 129.55 2i0n s ILE 35 Ca 0.41 1.20 -0.25 0.00 0.00 0.00 0.00 60.65 62.01 2i0n s ILE 35 Cb -0.08 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2i0n s ILE 35 CO 0.25 0.11 1.90 -0.89 0.00 0.00 0.00 174.94 176.31 2i0n s THR 36 N 1.87 3.45 -0.81 2.92 2.01 0.20 -2.64 115.64 122.64 2i0n s THR 36 Ca 0.29 -0.23 -0.24 0.00 0.31 0.00 0.00 61.69 61.82 2i0n s THR 36 Cb -0.16 -4.04 -0.17 0.00 0.01 0.00 0.00 72.50 68.14 2i0n s THR 36 CO 0.11 -0.99 2.38 -0.38 -0.69 0.00 0.00 174.62 175.05 2i0n n ILE 37 N 7.65 -0.00 0.21 1.82 2.08 -1.26 -1.77 119.36 128.09 2i0n n ILE 37 Ca 0.34 -0.51 0.10 0.00 0.56 0.00 0.00 62.75 63.25 2i0n n ILE 37 Cb 0.48 -1.74 0.24 0.00 -0.75 0.00 0.00 39.64 37.87 2i0n n ILE 37 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2i0n h THR 38 N 7.60 0.24 -1.07 1.39 1.03 -1.78 -3.45 112.91 116.88 2i0n h THR 38 Ca -0.01 -1.21 0.17 0.00 -0.01 0.00 0.00 66.41 65.36 2i0n h THR 38 Cb 1.03 2.00 -0.26 0.00 -1.07 0.00 0.00 68.15 69.86 2i0n h THR 38 CO 1.10 0.13 0.33 0.12 -0.01 0.00 0.00 175.52 177.18 2i0n s PHE 39 N -3.26 -0.56 0.91 0.00 5.36 -0.66 -5.04 117.98 114.73 2i0n s PHE 39 Ca 0.05 1.01 -0.11 0.00 -0.96 0.00 0.00 56.93 56.92 2i0n s PHE 39 Cb 0.07 0.33 0.14 0.00 -0.34 0.00 0.00 43.02 43.22 2i0n s PHE 39 CO 0.67 -0.28 1.10 0.15 -1.46 0.00 0.00 175.22 175.40 2i0n s LYS 40 N 2.03 1.08 0.00 10.12 1.02 -1.26 -2.10 119.74 130.63 2i0n s LYS 40 Ca -0.04 1.11 0.00 0.00 0.02 0.00 0.00 55.97 57.06 2i0n s LYS 40 Cb -0.05 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 2i0n s LYS 40 CO -0.16 -2.44 0.00 -3.47 -0.92 0.00 0.00 175.35 168.35 2i0n n ASP 41 N -4.06 0.00 -0.09 2.83 2.03 -1.24 -4.65 116.55 111.36 2i0n n ASP 41 Ca 0.08 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.54 2i0n n ASP 41 Cb 0.54 0.00 0.69 0.00 -0.72 0.00 0.00 41.12 41.63 2i0n n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2i0n n GLN 42 N 0.00 0.73 -2.23 -0.67 6.02 -1.02 -4.89 117.38 115.32 2i0n n GLN 42 Ca 0.00 -0.18 -0.12 0.00 -0.01 0.00 0.00 57.00 56.68 2i0n n GLN 42 Cb 0.00 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.75 2i0n n GLN 42 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2i0n n GLU 43 N -0.98 -2.03 0.00 -1.09 0.00 -1.23 -4.26 120.64 111.06 2i0n n GLU 43 Ca 0.16 0.63 0.00 0.00 0.00 0.00 0.00 57.16 57.95 2i0n n GLU 43 Cb 0.25 -5.15 0.00 0.00 0.00 0.00 0.00 31.44 26.53 2i0n n GLU 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2i0n n ASN 44 N -1.53 0.00 0.00 4.31 5.03 -1.26 -4.98 115.26 116.83 2i0n n ASN 44 Ca -0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.31 2i0n n ASN 44 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.33 2i0n n ASN 44 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2i0n n LYS 45 N -0.36 1.46 -3.46 3.52 5.02 -1.26 -4.36 118.16 118.72 2i0n n LYS 45 Ca 0.00 -0.17 -0.12 0.00 -2.02 0.00 0.00 58.31 56.00 2i0n n LYS 45 Cb 0.00 -0.58 -0.03 0.00 -0.02 0.00 0.00 35.03 34.40 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 -0.26 -0.50 0.19 2.13 0.52 -1.26 -3.96 118.94 115.80 2i0n s TRP 46 Ca 0.00 0.35 -0.10 0.00 0.02 0.00 0.00 56.10 56.37 2i0n s TRP 46 Cb 0.00 0.50 -0.01 0.00 -1.15 0.00 0.00 33.47 32.82 2i0n s TRP 46 CO 0.00 -0.80 0.34 -0.06 0.02 0.00 0.00 176.95 176.45 2i0n s PHE 47 N -3.50 0.38 -0.38 -1.98 0.08 0.34 -2.43 117.98 110.48 2i0n s PHE 47 Ca -0.00 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.33 2i0n s PHE 47 Cb -0.01 0.02 0.12 0.00 -0.57 0.00 0.00 43.02 42.58 2i0n s PHE 47 CO -0.11 -0.79 0.17 -1.64 -0.10 0.00 0.00 175.22 172.75 2i0n s MET 48 N -3.98 1.09 0.33 0.44 -1.94 -0.89 -2.68 119.30 111.67 2i0n s MET 48 Ca 0.19 -1.65 0.03 0.00 -1.71 0.00 0.00 55.69 52.55 2i0n s MET 48 Cb 0.02 -2.27 -0.01 0.00 2.01 0.00 0.00 34.83 34.58 2i0n s MET 48 CO 0.02 -1.08 0.12 0.41 -0.01 0.00 0.00 175.02 174.49 2i0n n GLY 49 N 4.08 3.38 3.41 -0.03 0.00 -0.99 -1.65 105.19 113.38 2i0n n GLY 49 Ca 0.04 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 2i0n n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2i0n s GLN 50 N -3.26 1.24 0.00 1.61 1.03 -0.73 -0.49 119.66 119.05 2i0n s GLN 50 Ca 0.18 -0.59 0.00 0.00 0.04 0.00 0.00 55.36 54.99 2i0n s GLN 50 Cb 0.01 0.55 0.00 0.00 0.03 0.00 0.00 33.01 33.60 2i0n s GLN 50 CO 0.12 -0.53 0.00 1.47 -2.54 0.00 0.00 175.29 173.82 2i0n n LEU 51 N -0.33 0.00 -4.52 2.60 -0.00 0.97 0.62 117.00 116.34 2i0n n LEU 51 Ca -0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.70 2i0n n LEU 51 Cb 0.64 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.94 2i0n n LEU 51 CO 0.14 0.00 1.47 0.59 -0.00 0.00 0.00 177.39 179.59 2i0n n ASN 52 N 0.00 0.56 -2.01 1.45 3.02 -1.26 -2.80 115.26 114.22 2i0n n ASN 52 Ca 0.00 -1.26 -0.06 0.00 -0.03 0.00 0.00 54.58 53.23 2i0n n ASN 52 Cb 0.00 -1.26 -0.01 0.00 -0.61 0.00 0.00 39.78 37.90 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 6.25 -0.12 2.86 7.41 0.00 -1.26 -4.89 105.19 115.44 2i0n n GLY 53 Ca 0.51 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.26 2i0n n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i0n s LYS 54 N -4.12 1.24 0.13 1.61 3.01 -1.12 -5.13 119.74 115.37 2i0n s LYS 54 Ca 0.00 -0.50 0.07 0.00 -1.01 0.00 0.00 55.97 54.52 2i0n s LYS 54 Cb 0.00 -2.01 -0.04 0.00 -1.01 0.00 0.00 37.83 34.77 2i0n s LYS 54 CO 0.00 -0.48 -0.03 -2.00 0.51 0.00 0.00 175.35 173.35 2i0n s GLU 55 N 1.68 2.35 0.00 1.68 2.12 -1.26 -0.02 118.70 125.25 2i0n s GLU 55 Ca 0.00 -1.01 0.00 0.00 0.36 0.00 0.00 54.97 54.32 2i0n s GLU 55 Cb -0.16 -2.39 0.00 0.00 0.26 0.00 0.00 34.13 31.84 2i0n s GLU 55 CO -0.07 0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 2i0n n GLY 56 N 0.32 1.36 3.40 -1.50 0.00 0.35 -4.44 105.19 104.67 2i0n n GLY 56 Ca -0.11 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 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 2.41 -0.21 1.61 0.01 -1.17 -2.36 113.70 115.99 2i0n s SER 57 Ca 0.00 -1.22 -0.30 0.00 1.31 0.00 0.00 55.95 55.74 2i0n s SER 57 Cb 0.00 -0.10 0.15 0.00 0.21 0.00 0.00 66.02 66.28 2i0n s SER 57 CO 0.00 -0.43 1.14 0.72 0.41 0.00 0.00 173.24 175.09 2i0n s PHE 58 N -3.18 -0.23 0.76 2.43 -0.12 -1.09 -4.10 117.98 112.44 2i0n s PHE 58 Ca 0.30 0.39 -0.11 0.00 -0.05 0.00 0.00 56.93 57.46 2i0n s PHE 58 Cb 0.05 0.47 0.05 0.00 -0.63 0.00 0.00 43.02 42.96 2i0n s PHE 58 CO 0.11 -0.22 1.08 -1.25 -0.05 0.00 0.00 175.22 174.89 2i0n s PRO 59 N -1.14 2.41 0.08 1.99 0.04 -1.26 -0.51 135.00 136.62 2i0n s PRO 59 Ca 0.03 1.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.89 2i0n s PRO 59 Cb -0.01 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2i0n s PRO 59 CO -0.02 -1.49 1.47 0.28 0.04 0.00 0.00 177.00 177.28 2i0n h VAL 60 N -1.01 1.28 -0.69 -0.36 2.07 -1.76 -2.71 116.25 113.08 2i0n h VAL 60 Ca -0.44 -1.05 0.20 0.00 0.82 0.00 0.00 66.70 66.23 2i0n h VAL 60 Cb 1.23 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2i0n h VAL 60 CO 0.54 0.33 0.64 0.44 0.02 0.00 0.00 177.57 179.54 2i0n h ASP 61 N 0.20 0.00 0.93 0.57 5.19 -1.92 0.85 116.42 122.25 2i0n h ASP 61 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2i0n h ASP 61 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 2i0n h ASP 61 CO 0.02 0.00 -0.35 1.41 -3.12 0.00 0.00 179.24 177.20 2i0n n HIS 62 N -3.83 0.40 -3.85 4.55 8.25 -1.03 -4.75 115.22 114.97 2i0n n HIS 62 Ca 0.14 0.12 -0.12 0.00 -0.26 0.00 0.00 57.72 57.60 2i0n n HIS 62 Cb 0.89 -0.59 -0.11 0.00 1.12 0.00 0.00 29.99 31.30 2i0n n HIS 62 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2i0n s VAL 63 N -3.08 0.05 0.55 1.59 -7.23 0.30 0.12 120.40 112.70 2i0n s VAL 63 Ca 0.10 -0.43 0.02 0.00 -1.81 0.00 0.00 61.98 59.86 2i0n s VAL 63 Cb 0.15 -0.37 0.04 0.00 0.56 0.00 0.00 36.38 36.76 2i0n s VAL 63 CO 0.65 -0.24 0.77 -0.70 -0.31 0.00 0.00 175.10 175.28 2i0n s GLU 64 N -0.84 2.49 -0.22 4.82 2.12 0.41 -4.70 118.70 122.78 2i0n s GLU 64 Ca -0.09 -0.91 0.01 0.00 0.36 0.00 0.00 54.97 54.34 2i0n s GLU 64 Cb -0.05 -2.52 0.04 0.00 0.26 0.00 0.00 34.13 31.86 2i0n s GLU 64 CO 0.01 -0.73 -0.14 0.42 -0.54 0.00 0.00 175.26 174.28 2i0n s ILE 65 N -2.74 2.25 -0.36 -3.70 -1.09 -1.26 -2.03 121.20 112.27 2i0n s ILE 65 Ca 0.58 -1.24 -0.20 0.00 -2.23 0.00 0.00 60.65 57.56 2i0n s ILE 65 Cb -0.10 -2.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.65 2i0n s ILE 65 CO 0.38 0.25 0.62 -0.76 -1.23 0.00 0.00 174.94 174.20 2i0n s LEU 66 N 1.22 4.30 0.17 2.97 1.43 -0.44 -4.92 118.68 123.40 2i0n s LEU 66 Ca -0.02 0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 2i0n s LEU 66 Cb -0.16 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 2i0n s LEU 66 CO -0.08 -0.60 1.39 0.25 0.23 0.00 0.00 176.35 177.54 2i0n h LEU 67 N 9.37 0.04 0.00 1.79 6.46 -1.85 -2.88 115.31 128.24 2i0n h LEU 67 Ca -0.26 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 2i0n h LEU 67 Cb 1.11 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 41.03 2i0n h LEU 67 CO 0.83 0.89 -0.34 -1.28 -0.62 0.00 0.00 178.44 177.92 2i0n h SER 68 N 0.01 0.00 0.00 1.25 0.87 -1.91 -3.45 113.55 110.32 2i0n h SER 68 Ca -0.02 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2i0n h SER 68 Cb 1.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 2i0n h SER 68 CO 0.12 0.70 0.00 -0.90 -0.53 0.00 0.00 176.83 176.21 2i0n n ASP 69 N -4.67 0.00 -3.18 6.23 5.68 -1.26 -4.97 116.55 114.39 2i0n n ASP 69 Ca -0.06 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.28 2i0n n ASP 69 Cb 0.19 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.14 2i0n n ASP 69 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2i0n s VAL 70 N 0.07 -0.14 0.22 2.12 0.11 -1.26 -4.72 120.40 116.80 2i0n s VAL 70 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 2i0n s VAL 70 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2i0n s VAL 70 CO 0.00 0.00 1.54 1.55 -3.33 0.00 0.00 175.10 174.86 2i0n h PRO 71 N 7.68 0.32 -7.32 1.54 0.13 -2.03 -3.45 132.00 128.87 2i0n h PRO 71 Ca -0.12 -0.22 -0.51 0.00 -0.87 0.00 0.00 66.00 64.29 2i0n h PRO 71 Cb 1.16 0.03 0.09 0.00 0.13 0.00 0.00 31.00 32.41 2i0n h PRO 71 CO -0.10 0.82 0.37 -1.25 -0.23 0.00 0.00 178.00 177.61 2i0n s PRO 72 N -3.80 2.98 -0.17 1.56 0.04 -1.26 -4.98 135.00 129.37 2i0n s PRO 72 Ca -0.05 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 61.69 2i0n s PRO 72 Cb 0.12 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 2i0n s PRO 72 CO 0.81 -1.07 1.31 -1.25 0.04 0.00 0.00 177.00 176.84 2i0n s PRO 73 N -4.90 4.18 -0.15 0.56 0.04 -1.26 -4.94 135.00 128.52 2i0n s PRO 73 Ca 0.59 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 2i0n s PRO 73 Cb -0.14 -3.81 -0.06 0.00 0.04 0.00 0.00 34.50 30.53 2i0n s PRO 73 CO 0.52 -0.79 2.12 -1.14 0.04 0.00 0.00 177.00 177.75 2i0n s GLN 74 N 3.66 3.44 0.56 4.56 0.74 -1.26 -4.94 119.66 126.42 2i0n s GLN 74 Ca 0.57 2.16 -0.18 0.00 0.05 0.00 0.00 55.36 57.97 2i0n s GLN 74 Cb -0.22 -4.30 -0.05 0.00 1.10 0.00 0.00 33.01 29.54 2i0n s GLN 74 CO 0.17 -1.75 1.07 -1.25 -0.55 0.00 0.00 175.29 172.98 2i0n s PRO 75 N 5.74 3.41 -0.27 1.67 0.04 -1.26 -5.06 135.00 139.28 2i0n s PRO 75 Ca 0.96 1.33 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 2i0n s PRO 75 Cb -0.35 -2.04 0.15 0.00 0.04 0.00 0.00 34.50 32.30 2i0n s PRO 75 CO 0.37 -0.75 0.53 0.54 0.04 0.00 0.00 177.00 177.73 2i0n s VAL 76 N -2.20 -0.86 0.58 -0.36 0.11 -1.26 -4.94 120.40 111.47 2i0n s VAL 76 Ca 0.66 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 2i0n s VAL 76 Cb -0.18 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 2i0n s VAL 76 CO 0.31 -0.02 0.00 1.41 -3.33 0.00 0.00 175.10 173.47 2i0n n HIS 77 N 5.41 -4.34 -2.50 1.54 8.25 -1.26 -4.82 115.22 117.50 2i0n n HIS 77 Ca -0.05 2.34 -0.40 0.00 -0.26 0.00 0.00 57.72 59.35 2i0n n HIS 77 Cb 0.50 -3.58 -0.04 0.00 1.12 0.00 0.00 29.99 27.99 2i0n n HIS 77 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2i0n s PRO 78 N -5.03 4.65 -0.51 -0.41 0.04 -1.26 -4.99 135.00 127.48 2i0n s PRO 78 Ca 0.00 1.76 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 2i0n s PRO 78 Cb 0.00 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.36 2i0n s PRO 78 CO 0.00 0.21 0.90 0.08 0.04 0.00 0.00 177.00 178.24 2i0n s VAL 79 N -1.00 4.46 -2.69 -0.36 1.01 -1.26 -5.32 120.40 115.25 2i0n s VAL 79 Ca 0.45 0.37 0.21 0.00 0.00 0.00 0.00 61.98 63.02 2i0n s VAL 79 Cb -0.31 -4.48 0.17 0.00 0.00 0.00 0.00 36.38 31.76 2i0n s VAL 79 CO 0.39 -0.98 1.18 0.00 0.00 0.00 0.00 175.10 175.69