#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 0.77 0.13 3.03 0.00 -1.26 -5.01 105.19 102.85 2i0n n GLY 2 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 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 0.34 -2.16 1.61 0.13 -2.13 -3.32 132.00 126.46 2i0n h PRO 3 Ca 0.00 -0.26 -0.74 0.00 -0.87 0.00 0.00 66.00 64.12 2i0n h PRO 3 Cb 0.00 0.05 -0.31 0.00 0.13 0.00 0.00 31.00 30.87 2i0n h PRO 3 CO 0.00 0.90 0.60 1.47 -0.23 0.00 0.00 178.00 180.74 2i0n n LEU 4 N -4.44 6.67 -3.58 1.56 -0.00 -1.26 -4.87 117.00 111.08 2i0n n LEU 4 Ca -0.08 -5.33 -0.41 0.00 -0.00 0.00 0.00 56.01 50.19 2i0n n LEU 4 Cb 0.49 -0.98 -0.00 0.00 -0.00 0.00 0.00 43.42 42.92 2i0n n LEU 4 CO 0.41 2.07 2.39 0.61 -0.00 0.00 0.00 177.39 182.87 2i0n n GLY 5 N -0.22 4.96 3.86 1.47 0.00 -1.25 -4.95 105.19 109.06 2i0n n GLY 5 Ca 0.45 -1.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 2i0n n GLY 5 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i0n s SER 6 N 0.78 5.73 -1.00 1.61 0.01 -1.26 -5.02 113.70 114.56 2i0n s SER 6 Ca 0.51 -0.14 -0.23 0.00 1.31 0.00 0.00 55.95 57.40 2i0n s SER 6 Cb 0.16 -1.53 -0.02 0.00 0.21 0.00 0.00 66.02 64.83 2i0n s SER 6 CO -0.06 -0.02 1.82 -2.16 0.41 0.00 0.00 173.24 173.22 2i0n s PRO 7 N -3.70 2.88 -0.33 12.44 0.04 -1.26 -4.75 135.00 140.32 2i0n s PRO 7 Ca 0.33 -0.72 0.07 0.00 0.04 0.00 0.00 61.00 60.71 2i0n s PRO 7 Cb -0.09 -5.19 0.46 0.00 0.04 0.00 0.00 34.50 29.72 2i0n s PRO 7 CO 0.26 -3.12 1.33 -1.91 0.04 0.00 0.00 177.00 173.59 2i0n n GLU 8 N 8.75 3.01 -0.45 4.56 2.13 -1.26 -5.02 120.64 132.36 2i0n n GLU 8 Ca 0.40 -3.83 0.00 0.00 0.66 0.00 0.00 57.16 54.39 2i0n n GLU 8 Cb 0.48 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.05 2i0n n GLU 8 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 2i0n n PHE 9 N -0.84 -0.07 -3.52 4.31 -1.74 -1.26 -5.19 117.46 109.15 2i0n n PHE 9 Ca 0.42 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 57.25 2i0n n PHE 9 Cb 0.90 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.92 2i0n n PHE 9 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2i0n n ALA 10 N -3.00 -0.97 0.00 1.98 0.00 -1.26 -4.98 120.51 112.28 2i0n n ALA 10 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2i0n n ALA 10 Cb 0.00 0.63 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.32 0.00 -4.52 0.00 5.02 -1.26 -5.05 118.16 112.02 2i0n n LYS 11 Ca -0.05 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.00 2i0n n LYS 11 Cb 0.36 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.27 2i0n n LYS 11 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2i0n s TYR 12 N -1.47 1.98 -0.01 2.13 1.51 -1.09 -3.75 117.35 116.65 2i0n s TYR 12 Ca 0.00 -1.00 -0.23 0.00 -1.01 0.00 0.00 57.07 54.83 2i0n s TYR 12 Cb 0.00 -1.36 0.05 0.00 -0.11 0.00 0.00 41.96 40.54 2i0n s TYR 12 CO 0.00 0.02 0.50 0.00 -1.11 0.00 0.00 175.55 174.95 2i0n s ALA 13 N -3.15 -1.28 -0.14 3.71 0.00 -0.99 0.01 121.76 119.91 2i0n s ALA 13 Ca 0.30 0.76 0.02 0.00 0.00 0.00 0.00 51.96 53.04 2i0n s ALA 13 Cb 0.07 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2i0n s ALA 13 CO 0.14 -0.36 -0.21 0.50 0.00 0.00 0.00 175.76 175.84 2i0n s ARG 14 N -1.54 3.05 0.12 0.00 3.00 -0.81 0.10 118.95 122.87 2i0n s ARG 14 Ca -0.11 -0.84 -0.31 0.00 -1.00 0.00 0.00 55.73 53.48 2i0n s ARG 14 Cb -0.02 -2.47 -0.10 0.00 0.00 0.00 0.00 34.95 32.36 2i0n s ARG 14 CO 0.05 -0.02 1.82 0.00 0.00 0.00 0.00 175.30 177.15 2i0n s ALA 15 N 0.84 3.75 -0.56 6.12 0.00 0.38 -0.81 121.76 131.48 2i0n s ALA 15 Ca -0.06 1.42 0.24 0.00 0.00 0.00 0.00 51.96 53.56 2i0n s ALA 15 Cb -0.15 -3.76 0.37 0.00 0.00 0.00 0.00 23.12 19.57 2i0n s ALA 15 CO -0.02 -1.22 1.39 -0.07 0.00 0.00 0.00 175.76 175.83 2i0n h LEU 16 N 8.66 0.00 -7.18 0.00 -0.00 -1.68 -0.16 115.31 114.95 2i0n h LEU 16 Ca -0.46 -0.11 0.05 0.00 -0.00 0.00 0.00 57.88 57.36 2i0n h LEU 16 Cb 1.22 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.76 2i0n h LEU 16 CO 0.95 0.05 0.33 -1.59 -0.00 0.00 0.00 178.44 178.18 2i0n s LYS 17 N -3.20 1.19 0.38 1.13 -2.85 -1.26 -4.42 119.74 110.72 2i0n s LYS 17 Ca 0.06 -0.50 -0.27 0.00 -1.00 0.00 0.00 55.97 54.26 2i0n s LYS 17 Cb 0.11 0.51 -0.11 0.00 -2.06 0.00 0.00 37.83 36.28 2i0n s LYS 17 CO 0.70 -0.53 1.37 -0.25 0.10 0.00 0.00 175.35 176.75 2i0n n ASP 18 N -0.36 3.15 -4.10 0.03 8.00 -1.26 -3.93 116.55 118.08 2i0n n ASP 18 Ca -0.12 1.19 -0.22 0.00 0.71 0.00 0.00 54.79 56.35 2i0n n ASP 18 Cb 0.63 -1.55 -0.15 0.00 -0.02 0.00 0.00 41.12 40.03 2i0n n ASP 18 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2i0n s TYR 19 N -1.13 1.27 0.16 1.24 5.04 -0.81 -4.89 117.35 118.22 2i0n s TYR 19 Ca 0.56 -0.25 0.11 0.00 -2.44 0.00 0.00 57.07 55.05 2i0n s TYR 19 Cb -0.51 -0.82 -0.04 0.00 0.35 0.00 0.00 41.96 40.93 2i0n s TYR 19 CO 0.62 -0.03 -0.25 0.54 -1.34 0.00 0.00 175.55 175.08 2i0n s ASN 20 N -0.29 3.33 0.02 4.32 4.22 -1.26 -2.70 114.94 122.58 2i0n s ASN 20 Ca 0.05 -0.80 -0.06 0.00 -2.14 0.00 0.00 52.86 49.91 2i0n s ASN 20 Cb -0.06 -0.23 -0.01 0.00 1.28 0.00 0.00 41.25 42.23 2i0n s ASN 20 CO -0.00 0.15 0.10 0.68 -2.04 0.00 0.00 177.10 175.98 2i0n s VAL 21 N -1.33 0.11 -0.48 3.54 -7.23 -1.26 -4.96 120.40 108.79 2i0n s VAL 21 Ca 0.17 -0.92 0.04 0.00 -1.81 0.00 0.00 61.98 59.46 2i0n s VAL 21 Cb -0.09 -0.64 0.17 0.00 0.56 0.00 0.00 36.38 36.37 2i0n s VAL 21 CO 0.08 -0.50 0.37 -0.44 -0.31 0.00 0.00 175.10 174.29 2i0n s SER 22 N -1.76 2.46 0.00 4.85 0.01 -1.26 -4.84 113.70 113.16 2i0n s SER 22 Ca -0.10 -3.19 0.00 0.00 1.31 0.00 0.00 55.95 53.97 2i0n s SER 22 Cb -0.05 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.42 2i0n s SER 22 CO -0.02 -0.16 0.12 -0.67 0.41 0.00 0.00 173.24 172.93 2i0n n ASP 23 N 2.73 0.00 -2.35 2.44 2.03 -1.26 -4.99 116.55 115.16 2i0n n ASP 23 Ca 0.25 -0.29 -0.04 0.00 0.52 0.00 0.00 54.79 55.23 2i0n n ASP 23 Cb 0.43 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2i0n n ASP 23 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2i0n n THR 24 N 0.00 -0.19 -1.28 5.18 -1.04 -1.26 -4.62 114.28 111.07 2i0n n THR 24 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2i0n n THR 24 Cb 0.15 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 2i0n n THR 24 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2i0n n SER 25 N -1.40 0.00 -0.53 8.00 2.88 -1.26 -5.12 113.62 116.20 2i0n n SER 25 Ca -0.05 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.49 2i0n n SER 25 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2i0n n SER 25 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2i0n n LEU 26 N 0.00 0.00 -3.59 2.46 7.99 -1.26 -4.00 117.00 118.60 2i0n n LEU 26 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.71 2i0n n LEU 26 Cb 0.45 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.64 2i0n n LEU 26 CO 0.00 -0.07 -0.27 -0.22 -1.51 0.00 0.00 177.39 175.32 2i0n s LEU 27 N 0.00 2.04 0.15 2.23 2.96 -0.61 -2.88 118.68 122.57 2i0n s LEU 27 Ca 0.00 -2.61 -0.30 0.00 -0.22 0.00 0.00 54.13 51.00 2i0n s LEU 27 Cb 0.00 -0.76 -0.07 0.00 0.50 0.00 0.00 46.19 45.85 2i0n s LEU 27 CO 0.00 -0.26 1.15 -2.16 -1.32 0.00 0.00 176.35 173.76 2i0n s PRO 28 N 0.46 4.52 0.08 0.98 0.04 -1.26 -4.76 135.00 135.05 2i0n s PRO 28 Ca 0.20 1.77 -0.00 0.00 0.04 0.00 0.00 61.00 63.01 2i0n s PRO 28 Cb -0.19 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2i0n s PRO 28 CO -0.03 -0.06 0.10 1.97 0.04 0.00 0.00 177.00 179.02 2i0n n PHE 29 N 2.81 -0.59 -4.51 0.56 1.16 -1.10 -4.74 117.46 111.04 2i0n n PHE 29 Ca 0.05 -0.53 -0.25 0.00 -1.87 0.00 0.00 57.45 54.85 2i0n n PHE 29 Cb 0.46 0.11 -0.10 0.00 -1.61 0.00 0.00 39.48 38.34 2i0n n PHE 29 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2i0n s LYS 30 N -2.19 1.80 1.06 3.97 2.20 -1.26 -1.93 119.74 123.39 2i0n s LYS 30 Ca 0.07 -1.88 -0.16 0.00 -0.36 0.00 0.00 55.97 53.63 2i0n s LYS 30 Cb -0.00 -1.74 0.14 0.00 -1.51 0.00 0.00 37.83 34.72 2i0n s LYS 30 CO 0.05 0.19 0.16 -2.13 -0.36 0.00 0.00 175.35 173.25 2i0n n ARG 31 N -0.76 -2.08 -3.69 4.03 0.00 -1.25 -3.10 116.66 109.81 2i0n n ARG 31 Ca -0.05 -0.61 -0.26 0.00 -0.00 0.00 0.00 57.85 56.93 2i0n n ARG 31 Cb 0.63 -1.54 -0.06 0.00 0.00 0.00 0.00 32.46 31.48 2i0n n ARG 31 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2i0n n ASN 32 N -1.37 -0.31 -4.68 6.15 0.23 -0.09 -4.87 115.26 110.33 2i0n n ASN 32 Ca 0.04 -0.88 -0.23 0.00 -0.53 0.00 0.00 54.58 52.98 2i0n n ASN 32 Cb 0.47 -1.11 -0.07 0.00 -2.08 0.00 0.00 39.78 36.99 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 -3.25 4.64 -0.43 0.53 -1.08 -1.12 -4.73 116.67 111.22 2i0n s ASP 33 Ca 0.29 -0.66 -0.06 0.00 -0.52 0.00 0.00 52.55 51.61 2i0n s ASP 33 Cb -0.17 -0.85 0.11 0.00 -1.46 0.00 0.00 42.92 40.55 2i0n s ASP 33 CO 0.70 -0.08 0.27 -0.63 0.52 0.00 0.00 175.17 175.95 2i0n s ILE 34 N -2.34 3.73 -0.48 4.11 -1.09 -1.26 0.14 121.20 124.01 2i0n s ILE 34 Ca 0.33 -1.90 -0.29 0.00 -2.23 0.00 0.00 60.65 56.56 2i0n s ILE 34 Cb -0.05 -3.49 0.03 0.00 -1.58 0.00 0.00 42.46 37.37 2i0n s ILE 34 CO 0.21 -0.71 1.17 -0.63 -1.23 0.00 0.00 174.94 173.75 2i0n s ILE 35 N 1.25 4.16 -0.97 2.92 1.01 0.29 -4.88 121.20 124.98 2i0n s ILE 35 Ca 0.07 1.17 -0.25 0.00 0.00 0.00 0.00 60.65 61.64 2i0n s ILE 35 Cb -0.24 -4.58 -0.11 0.00 0.01 0.00 0.00 42.46 37.54 2i0n s ILE 35 CO -0.02 -1.01 2.09 -0.89 0.00 0.00 0.00 174.94 175.10 2i0n s THR 36 N 4.59 3.30 -0.34 2.92 2.01 -0.96 -2.36 115.64 124.80 2i0n s THR 36 Ca 0.49 -0.35 -0.36 0.00 0.31 0.00 0.00 61.69 61.77 2i0n s THR 36 Cb -0.08 -3.89 -0.12 0.00 0.01 0.00 0.00 72.50 68.42 2i0n s THR 36 CO 0.32 -0.59 2.13 -0.38 -0.69 0.00 0.00 174.62 175.40 2i0n n ILE 37 N 8.27 0.20 -0.05 1.82 5.41 -1.25 -2.31 119.36 131.46 2i0n n ILE 37 Ca 0.43 -0.21 -0.16 0.00 1.00 0.00 0.00 62.75 63.81 2i0n n ILE 37 Cb 0.46 -1.51 -0.14 0.00 -0.71 0.00 0.00 39.64 37.75 2i0n n ILE 37 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2i0n n THR 38 N 6.78 1.62 -3.43 1.39 -2.24 -0.52 -4.76 114.28 113.12 2i0n n THR 38 Ca 0.40 -0.69 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 2i0n n THR 38 Cb 0.20 -1.32 -0.11 0.00 -2.10 0.00 0.00 70.33 67.00 2i0n n THR 38 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2i0n s PHE 39 N -2.55 -0.42 1.05 4.78 5.36 -0.81 -5.04 117.98 120.35 2i0n s PHE 39 Ca -0.20 0.04 -0.17 0.00 -0.96 0.00 0.00 56.93 55.64 2i0n s PHE 39 Cb 0.07 -0.39 0.24 0.00 -0.34 0.00 0.00 43.02 42.60 2i0n s PHE 39 CO 0.75 -0.79 1.26 0.15 -1.46 0.00 0.00 175.22 175.12 2i0n s LYS 40 N 2.36 -0.07 0.06 10.12 1.02 -1.26 -2.54 119.74 129.43 2i0n s LYS 40 Ca 0.09 -0.33 -0.04 0.00 0.02 0.00 0.00 55.97 55.70 2i0n s LYS 40 Cb -0.15 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.38 2i0n s LYS 40 CO -0.24 -2.90 0.06 -0.51 -0.92 0.00 0.00 175.35 170.84 2i0n s ASP 41 N -4.59 0.32 -0.09 2.83 1.01 -1.26 -4.87 116.67 110.03 2i0n s ASP 41 Ca 0.74 -0.82 0.12 0.00 0.71 0.00 0.00 52.55 53.29 2i0n s ASP 41 Cb -0.05 0.25 0.49 0.00 1.01 0.00 0.00 42.92 44.63 2i0n s ASP 41 CO 0.54 -0.64 1.34 1.67 0.21 0.00 0.00 175.17 178.29 2i0n n GLN 42 N 0.13 2.96 0.03 8.23 7.27 -1.26 -3.95 117.38 130.78 2i0n n GLN 42 Ca -0.15 -1.94 0.11 0.00 0.07 0.00 0.00 57.00 55.09 2i0n n GLN 42 Cb 0.61 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.53 2i0n n GLN 42 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2i0n n GLU 43 N 0.63 0.31 -1.85 3.69 2.13 -1.26 -4.94 120.64 119.35 2i0n n GLU 43 Ca 0.17 -0.01 -0.15 0.00 0.66 0.00 0.00 57.16 57.83 2i0n n GLU 43 Cb 0.68 -1.59 -0.04 0.00 0.27 0.00 0.00 31.44 30.75 2i0n n GLU 43 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2i0n n ASN 44 N -1.98 -4.28 0.00 4.31 5.15 -1.25 -4.72 115.26 112.48 2i0n n ASN 44 Ca 0.02 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 2i0n n ASN 44 Cb 0.44 -3.77 0.00 0.00 -0.53 0.00 0.00 39.78 35.92 2i0n n ASN 44 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2i0n n LYS 45 N -2.37 0.00 -4.49 1.20 4.76 -1.26 -4.70 118.16 111.30 2i0n n LYS 45 Ca -0.17 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.03 2i0n n LYS 45 Cb 0.56 -0.94 -0.10 0.00 -1.84 0.00 0.00 35.03 32.71 2i0n n LYS 45 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2i0n s TRP 46 N -1.91 2.25 -0.14 2.13 0.52 -1.26 -1.78 118.94 118.75 2i0n s TRP 46 Ca 0.00 -0.49 -0.06 0.00 0.02 0.00 0.00 56.10 55.57 2i0n s TRP 46 Cb 0.00 -1.19 0.06 0.00 -1.15 0.00 0.00 33.47 31.19 2i0n s TRP 46 CO 0.00 0.55 0.30 -0.06 0.02 0.00 0.00 176.95 177.77 2i0n s PHE 47 N -2.68 -0.47 -0.38 -1.98 0.08 -0.66 -4.52 117.98 107.37 2i0n s PHE 47 Ca 0.31 1.04 -0.24 0.00 0.12 0.00 0.00 56.93 58.16 2i0n s PHE 47 Cb 0.00 0.09 0.01 0.00 -0.57 0.00 0.00 43.02 42.56 2i0n s PHE 47 CO 0.15 -0.33 0.82 1.41 -0.10 0.00 0.00 175.22 177.16 2i0n s MET 48 N 1.90 3.71 0.28 0.44 -2.45 -1.05 -2.09 119.30 120.03 2i0n s MET 48 Ca -0.04 0.30 0.02 0.00 -1.25 0.00 0.00 55.69 54.71 2i0n s MET 48 Cb -0.11 -3.83 -0.05 0.00 1.25 0.00 0.00 34.83 32.09 2i0n s MET 48 CO -0.10 -0.93 0.11 0.20 1.05 0.00 0.00 175.02 175.36 2i0n s GLY 49 N 1.91 1.90 -0.06 2.11 0.00 -1.06 -1.44 107.32 110.69 2i0n s GLY 49 Ca 0.33 -1.82 -0.19 0.00 0.00 0.00 0.00 44.72 43.05 2i0n s GLY 49 CO 0.19 -1.62 0.43 1.62 0.00 0.00 0.00 173.10 173.71 2i0n s GLN 50 N -3.95 0.72 0.06 2.90 -0.44 -0.98 -1.23 119.66 116.75 2i0n s GLN 50 Ca 0.36 0.11 -0.08 0.00 -2.50 0.00 0.00 55.36 53.25 2i0n s GLN 50 Cb 0.07 0.33 0.03 0.00 -1.64 0.00 0.00 33.01 31.80 2i0n s GLN 50 CO 0.15 -0.19 0.38 1.47 0.50 0.00 0.00 175.29 177.61 2i0n n LEU 51 N 1.58 0.00 -4.61 3.68 -0.00 -0.64 -2.25 117.00 114.76 2i0n n LEU 51 Ca -0.19 -0.52 -0.43 0.00 -0.00 0.00 0.00 56.01 54.87 2i0n n LEU 51 Cb 0.56 1.02 -0.03 0.00 -0.00 0.00 0.00 43.42 44.98 2i0n n LEU 51 CO 0.20 -0.17 1.76 0.20 -0.00 0.00 0.00 177.39 179.37 2i0n s ASN 52 N -1.90 5.64 0.00 1.45 0.01 -1.26 -2.53 114.94 116.35 2i0n s ASN 52 Ca 0.09 1.83 0.00 0.00 -0.71 0.00 0.00 52.86 54.07 2i0n s ASN 52 Cb -0.01 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2i0n s ASN 52 CO 0.02 -1.82 0.00 0.61 -1.51 0.00 0.00 177.10 174.40 2i0n n GLY 53 N 5.57 3.78 2.62 0.66 0.00 -1.26 -5.08 105.19 111.48 2i0n n GLY 53 Ca 0.27 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2i0n n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i0n n LYS 54 N 0.00 0.23 -3.67 1.61 5.02 -1.05 -5.03 118.16 115.27 2i0n n LYS 54 Ca 0.00 -0.68 -0.09 0.00 -2.02 0.00 0.00 58.31 55.52 2i0n n LYS 54 Cb 0.00 1.02 -0.09 0.00 -0.02 0.00 0.00 35.03 35.94 2i0n n LYS 54 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2i0n s GLU 55 N -2.02 0.55 0.00 1.97 -1.05 -1.26 -1.62 118.70 115.27 2i0n s GLU 55 Ca 0.18 0.97 0.00 0.00 -0.15 0.00 0.00 54.97 55.97 2i0n s GLU 55 Cb -0.01 0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 2i0n s GLU 55 CO 0.01 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.48 2i0n n GLY 56 N 4.13 -1.45 3.56 -3.83 0.00 -0.37 -4.49 105.19 102.74 2i0n n GLY 56 Ca -0.21 0.77 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.00 0.62 -0.28 1.61 0.01 -1.26 -2.56 113.70 107.84 2i0n s SER 57 Ca 0.00 -1.35 -0.26 0.00 1.31 0.00 0.00 55.95 55.65 2i0n s SER 57 Cb 0.00 0.69 0.17 0.00 0.21 0.00 0.00 66.02 67.09 2i0n s SER 57 CO 0.00 -1.35 1.29 0.72 0.41 0.00 0.00 173.24 174.31 2i0n s PHE 58 N -3.04 -0.18 0.54 2.43 -0.12 -0.89 -1.58 117.98 115.15 2i0n s PHE 58 Ca 0.27 0.41 -0.20 0.00 -0.05 0.00 0.00 56.93 57.35 2i0n s PHE 58 Cb -0.01 0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 42.78 2i0n s PHE 58 CO 0.17 -0.11 1.20 -1.25 -0.05 0.00 0.00 175.22 175.18 2i0n s PRO 59 N -0.23 3.27 0.00 1.99 0.04 -1.26 -1.66 135.00 137.15 2i0n s PRO 59 Ca 0.06 1.82 0.12 0.00 0.04 0.00 0.00 61.00 63.04 2i0n s PRO 59 Cb -0.04 -2.10 0.58 0.00 0.04 0.00 0.00 34.50 32.97 2i0n s PRO 59 CO -0.10 -0.97 1.30 0.28 0.04 0.00 0.00 177.00 177.55 2i0n n VAL 60 N -1.18 0.80 0.31 -0.36 0.31 -0.73 -2.86 118.33 114.61 2i0n n VAL 60 Ca 0.11 0.20 0.07 0.00 -0.01 0.00 0.00 64.34 64.71 2i0n n VAL 60 Cb 0.49 -1.00 0.30 0.00 -0.91 0.00 0.00 33.84 32.72 2i0n n VAL 60 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2i0n n ASP 61 N -1.33 0.20 -2.69 4.52 8.00 -1.26 -3.60 116.55 120.39 2i0n n ASP 61 Ca 0.05 0.56 -0.07 0.00 0.71 0.00 0.00 54.79 56.05 2i0n n ASP 61 Cb 0.10 -0.60 0.07 0.00 -0.02 0.00 0.00 41.12 40.67 2i0n n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i0n n HIS 62 N -1.74 -0.21 -3.66 1.24 1.44 -1.14 -4.99 115.22 106.16 2i0n n HIS 62 Ca 0.02 -2.38 -0.08 0.00 -2.01 0.00 0.00 57.72 53.28 2i0n n HIS 62 Cb 0.12 0.40 -0.08 0.00 0.12 0.00 0.00 29.99 30.55 2i0n n HIS 62 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 2i0n s VAL 63 N -1.91 -0.11 0.64 0.61 -7.23 -1.24 -1.83 120.40 109.33 2i0n s VAL 63 Ca 0.24 0.04 0.03 0.00 -1.81 0.00 0.00 61.98 60.48 2i0n s VAL 63 Cb 0.43 -0.86 0.10 0.00 0.56 0.00 0.00 36.38 36.60 2i0n s VAL 63 CO -0.02 0.02 0.89 -0.70 -0.31 0.00 0.00 175.10 174.97 2i0n s GLU 64 N 1.70 2.03 -0.23 4.82 2.12 0.01 -4.84 118.70 124.30 2i0n s GLU 64 Ca -0.09 -1.24 0.01 0.00 0.36 0.00 0.00 54.97 54.01 2i0n s GLU 64 Cb -0.07 -2.47 0.05 0.00 0.26 0.00 0.00 34.13 31.91 2i0n s GLU 64 CO -0.17 -1.12 -0.09 0.42 -0.54 0.00 0.00 175.26 173.75 2i0n s ILE 65 N -2.91 1.75 -0.48 -3.70 -1.09 -1.26 -1.92 121.20 111.59 2i0n s ILE 65 Ca 0.63 -1.24 -0.26 0.00 -2.23 0.00 0.00 60.65 57.55 2i0n s ILE 65 Cb -0.06 -1.89 0.03 0.00 -1.58 0.00 0.00 42.46 38.95 2i0n s ILE 65 CO 0.41 0.04 0.98 -0.76 -1.23 0.00 0.00 174.94 174.38 2i0n s LEU 66 N 1.32 3.92 0.00 2.97 1.43 0.10 -4.87 118.68 123.54 2i0n s LEU 66 Ca -0.05 0.15 0.29 0.00 -1.03 0.00 0.00 54.13 53.50 2i0n s LEU 66 Cb -0.18 -3.24 1.23 0.00 0.03 0.00 0.00 46.19 44.03 2i0n s LEU 66 CO -0.07 -1.12 1.88 -0.11 0.23 0.00 0.00 176.35 177.16 2i0n n LEU 67 N 7.38 0.22 0.22 1.79 7.94 -1.26 -2.69 117.00 130.59 2i0n n LEU 67 Ca 0.07 0.22 0.15 0.00 -1.11 0.00 0.00 56.01 55.34 2i0n n LEU 67 Cb 0.49 -0.30 0.77 0.00 0.53 0.00 0.00 43.42 44.90 2i0n n LEU 67 CO 0.66 0.04 0.95 0.77 -1.11 0.00 0.00 177.39 178.70 2i0n h SER 68 N 0.19 0.00 -2.67 1.96 4.64 -1.96 -3.45 113.55 112.25 2i0n h SER 68 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 2i0n h SER 68 Cb 0.39 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.42 2i0n h SER 68 CO 0.00 0.00 -0.40 0.47 -0.87 0.00 0.00 176.83 176.03 2i0n n ASP 69 N -2.54 -4.86 -4.02 4.97 8.00 -1.24 -4.95 116.55 111.91 2i0n n ASP 69 Ca -0.01 0.19 -0.19 0.00 0.71 0.00 0.00 54.79 55.48 2i0n n ASP 69 Cb 0.08 -4.17 -0.15 0.00 -0.02 0.00 0.00 41.12 36.87 2i0n n ASP 69 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2i0n s VAL 70 N -2.72 0.73 -0.33 2.53 1.01 -1.26 -5.07 120.40 115.29 2i0n s VAL 70 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 2i0n s VAL 70 Cb 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 2i0n s VAL 70 CO 0.00 0.21 1.46 -2.16 0.00 0.00 0.00 175.10 174.61 2i0n s PRO 71 N -0.13 3.70 0.92 2.72 0.04 -1.26 -5.00 135.00 135.99 2i0n s PRO 71 Ca 0.02 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 2i0n s PRO 71 Cb -0.05 -4.00 0.14 0.00 0.04 0.00 0.00 34.50 30.64 2i0n s PRO 71 CO -0.00 -1.40 1.13 -1.25 0.04 0.00 0.00 177.00 175.51 2i0n s PRO 72 N 4.71 1.11 -0.57 0.56 0.04 -1.26 -4.93 135.00 134.66 2i0n s PRO 72 Ca 0.64 0.36 -0.27 0.00 0.04 0.00 0.00 61.00 61.77 2i0n s PRO 72 Cb -0.18 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 2i0n s PRO 72 CO 0.29 -2.24 1.63 -1.25 0.04 0.00 0.00 177.00 175.48 2i0n s PRO 73 N -5.21 3.02 0.30 0.56 0.04 -1.26 -4.96 135.00 127.49 2i0n s PRO 73 Ca 0.64 0.58 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 2i0n s PRO 73 Cb -0.15 -4.25 -0.12 0.00 0.04 0.00 0.00 34.50 30.02 2i0n s PRO 73 CO 0.54 -2.27 1.47 1.04 0.04 0.00 0.00 177.00 177.83 2i0n n GLN 74 N 8.91 2.42 -1.46 4.56 1.13 -1.26 -4.96 117.38 126.72 2i0n n GLN 74 Ca 0.16 0.86 -0.30 0.00 -1.94 0.00 0.00 57.00 55.78 2i0n n GLN 74 Cb 0.50 -2.56 0.10 0.00 0.11 0.00 0.00 30.24 28.39 2i0n n GLN 74 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2i0n s PRO 75 N -0.97 1.97 -0.24 -1.09 0.04 -1.26 -5.07 135.00 128.38 2i0n s PRO 75 Ca 0.62 0.73 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 2i0n s PRO 75 Cb -0.55 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 32.22 2i0n s PRO 75 CO 0.54 -1.72 0.33 0.14 0.04 0.00 0.00 177.00 176.32 2i0n s VAL 76 N -3.08 -0.52 -0.29 -0.36 -7.23 -1.26 -5.10 120.40 102.55 2i0n s VAL 76 Ca 0.61 -0.11 -0.03 0.00 -1.81 0.00 0.00 61.98 60.63 2i0n s VAL 76 Cb -0.15 -0.79 0.19 0.00 0.56 0.00 0.00 36.38 36.19 2i0n s VAL 76 CO 0.55 -0.17 0.83 -1.38 -0.31 0.00 0.00 175.10 174.62 2i0n s HIS 77 N 2.48 -1.13 -0.16 2.82 -3.43 -1.26 -5.12 115.29 109.48 2i0n s HIS 77 Ca 0.11 0.70 -0.29 0.00 -0.80 0.00 0.00 55.06 54.77 2i0n s HIS 77 Cb -0.15 0.21 -0.03 0.00 -1.43 0.00 0.00 32.58 31.18 2i0n s HIS 77 CO -0.16 -0.66 1.44 -1.25 -2.00 0.00 0.00 174.74 172.11 2i0n s PRO 78 N 2.90 4.10 0.31 -0.38 0.04 -1.26 -5.01 135.00 135.70 2i0n s PRO 78 Ca 0.18 1.77 0.07 0.00 0.04 0.00 0.00 61.00 63.06 2i0n s PRO 78 Cb -0.06 -3.89 -0.03 0.00 0.04 0.00 0.00 34.50 30.56 2i0n s PRO 78 CO -0.24 -0.90 0.25 0.08 0.04 0.00 0.00 177.00 176.23 2i0n s VAL 79 N 4.05 3.72 -0.44 -0.36 1.01 -1.26 -5.37 120.40 121.75 2i0n s VAL 79 Ca 0.63 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2i0n s VAL 79 Cb -0.25 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 32.94 2i0n s VAL 79 CO 0.22 -0.22 0.61 0.00 0.00 0.00 0.00 175.10 175.71