#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 -0.19 3.79 -5.12 0.00 -1.26 -5.02 105.19 97.39 2i0n n GLY 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2i0n n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2i0n s PRO 3 N 0.00 3.47 -0.65 1.61 0.04 -1.26 -4.95 135.00 133.26 2i0n s PRO 3 Ca 0.00 1.39 -0.27 0.00 0.04 0.00 0.00 61.00 62.16 2i0n s PRO 3 Cb 0.00 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2i0n s PRO 3 CO 0.00 -0.71 1.40 -1.17 0.04 0.00 0.00 177.00 176.55 2i0n s LEU 4 N -3.95 3.28 -0.51 -3.56 2.96 -1.26 -4.96 118.68 110.68 2i0n s LEU 4 Ca 0.68 -0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 54.41 2i0n s LEU 4 Cb -0.19 -2.76 0.13 0.00 0.50 0.00 0.00 46.19 43.87 2i0n s LEU 4 CO 0.28 -1.84 0.42 -0.83 -1.32 0.00 0.00 176.35 173.05 2i0n s GLY 5 N 4.50 2.08 0.03 7.98 0.00 -1.26 -5.04 107.32 115.61 2i0n s GLY 5 Ca 0.46 -2.57 0.00 0.00 0.00 0.00 0.00 44.72 42.60 2i0n s GLY 5 CO 0.20 1.15 -0.04 -1.35 0.00 0.00 0.00 173.10 173.06 2i0n s SER 6 N 2.98 0.37 -1.06 1.64 1.04 -1.26 -5.05 113.70 112.35 2i0n s SER 6 Ca 0.05 -0.58 -0.19 0.00 0.48 0.00 0.00 55.95 55.71 2i0n s SER 6 Cb -0.27 0.10 -0.07 0.00 0.10 0.00 0.00 66.02 65.88 2i0n s SER 6 CO 0.00 -0.33 2.03 -0.81 0.98 0.00 0.00 173.24 175.12 2i0n n PRO 7 N 1.37 2.07 -3.54 4.02 -0.04 -1.26 -4.84 135.00 132.78 2i0n n PRO 7 Ca -0.22 -2.21 -0.41 0.00 -0.04 0.00 0.00 63.50 60.61 2i0n n PRO 7 Cb 0.56 -3.12 -0.06 0.00 -0.04 0.00 0.00 33.50 30.84 2i0n n PRO 7 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2i0n s GLU 8 N 4.40 3.15 0.00 0.54 2.02 -1.26 -5.00 118.70 122.54 2i0n s GLU 8 Ca 0.54 -2.63 0.00 0.00 0.02 0.00 0.00 54.97 52.90 2i0n s GLU 8 Cb 0.13 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.28 2i0n s GLU 8 CO 0.04 -1.23 0.00 1.97 0.02 0.00 0.00 175.26 176.06 2i0n n PHE 9 N 3.49 -0.36 -3.78 1.61 1.16 -1.26 -5.19 117.46 113.13 2i0n n PHE 9 Ca 0.13 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.67 2i0n n PHE 9 Cb 0.41 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.27 2i0n n PHE 9 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2i0n n ALA 10 N -3.00 -0.02 0.00 1.98 0.00 -1.26 -4.93 120.51 113.28 2i0n n ALA 10 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2i0n n ALA 10 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.14 0.00 -4.39 0.00 4.76 -1.26 -5.01 118.16 112.11 2i0n n LYS 11 Ca 0.01 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 2i0n n LYS 11 Cb 0.14 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.23 2i0n n LYS 11 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2i0n s TYR 12 N -1.37 1.76 0.11 2.13 2.02 -1.10 -3.76 117.35 117.15 2i0n s TYR 12 Ca 0.00 -1.09 -0.16 0.00 -0.37 0.00 0.00 57.07 55.45 2i0n s TYR 12 Cb 0.00 -1.10 0.03 0.00 -0.40 0.00 0.00 41.96 40.49 2i0n s TYR 12 CO 0.00 -0.17 0.40 0.00 -1.57 0.00 0.00 175.55 174.21 2i0n s ALA 13 N -3.50 -0.93 -0.18 3.71 0.00 -0.94 0.10 121.76 120.02 2i0n s ALA 13 Ca 0.36 -0.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 2i0n s ALA 13 Cb 0.08 0.64 0.05 0.00 0.00 0.00 0.00 23.12 23.89 2i0n s ALA 13 CO 0.15 -0.61 0.01 0.50 0.00 0.00 0.00 175.76 175.80 2i0n s ARG 14 N -3.61 0.86 0.01 0.00 6.06 -0.54 0.12 118.95 121.85 2i0n s ARG 14 Ca 0.02 -0.45 -0.36 0.00 -2.50 0.00 0.00 55.73 52.44 2i0n s ARG 14 Cb 0.02 -2.03 -0.14 0.00 0.06 0.00 0.00 34.95 32.85 2i0n s ARG 14 CO -0.11 -0.57 1.61 0.00 -2.50 0.00 0.00 175.30 173.73 2i0n n ALA 15 N 4.99 0.33 0.81 6.12 0.00 0.42 -1.55 120.51 131.63 2i0n n ALA 15 Ca -0.09 0.42 0.13 0.00 0.00 0.00 0.00 53.44 53.90 2i0n n ALA 15 Cb 0.47 -2.29 0.45 0.00 0.00 0.00 0.00 19.45 18.09 2i0n n ALA 15 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2i0n n LEU 16 N 4.24 0.44 0.00 0.00 7.99 -0.18 -1.83 117.00 127.66 2i0n n LEU 16 Ca 0.20 0.45 -0.06 0.00 -0.01 0.00 0.00 56.01 56.60 2i0n n LEU 16 Cb 0.23 -0.37 0.02 0.00 -0.11 0.00 0.00 43.42 43.20 2i0n n LEU 16 CO 0.68 -0.06 0.61 2.29 -1.51 0.00 0.00 177.39 179.40 2i0n n LYS 17 N -1.86 0.84 -2.46 3.23 2.85 -1.26 -4.35 118.16 115.15 2i0n n LYS 17 Ca 0.06 -1.73 -0.40 0.00 -1.05 0.00 0.00 58.31 55.19 2i0n n LYS 17 Cb 0.39 2.23 -0.04 0.00 -0.65 0.00 0.00 35.03 36.96 2i0n n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2i0n s ASP 18 N -3.06 7.14 0.01 -5.58 1.11 -1.26 -3.14 116.67 111.89 2i0n s ASP 18 Ca 0.17 2.27 0.06 0.00 0.18 0.00 0.00 52.55 55.23 2i0n s ASP 18 Cb -0.04 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.31 2i0n s ASP 18 CO 0.08 -0.23 -0.17 -0.47 1.18 0.00 0.00 175.17 175.56 2i0n s TYR 19 N -1.24 1.52 0.08 4.23 5.04 -0.56 -4.88 117.35 121.55 2i0n s TYR 19 Ca 0.47 -0.32 0.08 0.00 -2.44 0.00 0.00 57.07 54.86 2i0n s TYR 19 Cb -0.31 -0.95 -0.03 0.00 0.35 0.00 0.00 41.96 41.02 2i0n s TYR 19 CO 0.40 0.02 -0.22 -0.80 -1.34 0.00 0.00 175.55 173.60 2i0n s ASN 20 N -0.73 2.64 0.02 4.32 -0.87 -1.26 -2.75 114.94 116.31 2i0n s ASN 20 Ca 0.06 -0.63 -0.04 0.00 -1.57 0.00 0.00 52.86 50.68 2i0n s ASN 20 Cb -0.07 -0.18 -0.01 0.00 -0.02 0.00 0.00 41.25 40.96 2i0n s ASN 20 CO 0.00 0.12 0.06 0.68 -2.57 0.00 0.00 177.10 175.39 2i0n s VAL 21 N -0.99 0.11 -0.48 1.60 -7.23 -1.26 -4.98 120.40 107.17 2i0n s VAL 21 Ca 0.08 -0.89 0.04 0.00 -1.81 0.00 0.00 61.98 59.39 2i0n s VAL 21 Cb -0.10 -0.48 0.16 0.00 0.56 0.00 0.00 36.38 36.53 2i0n s VAL 21 CO 0.03 -0.49 0.36 -0.44 -0.31 0.00 0.00 175.10 174.25 2i0n s SER 22 N -1.60 2.47 0.00 4.85 0.01 -1.26 -4.85 113.70 113.32 2i0n s SER 22 Ca -0.13 -3.15 0.00 0.00 1.31 0.00 0.00 55.95 53.98 2i0n s SER 22 Cb -0.07 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.41 2i0n s SER 22 CO -0.01 -0.17 0.23 -0.67 0.41 0.00 0.00 173.24 173.03 2i0n n ASP 23 N 2.78 -0.08 -2.57 2.44 -0.08 -1.26 -4.99 116.55 112.81 2i0n n ASP 23 Ca 0.25 -0.46 -0.03 0.00 -1.51 0.00 0.00 54.79 53.04 2i0n n ASP 23 Cb 0.43 0.02 -0.00 0.00 2.34 0.00 0.00 41.12 43.91 2i0n n ASP 23 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2i0n n THR 24 N 0.00 -0.07 -1.30 5.18 -2.24 -1.26 -4.59 114.28 109.99 2i0n n THR 24 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2i0n n THR 24 Cb 0.24 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 2i0n n THR 24 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2i0n n SER 25 N -1.57 0.00 -1.68 3.42 7.64 -1.26 -5.12 113.62 115.05 2i0n n SER 25 Ca -0.01 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.87 2i0n n SER 25 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2i0n n SER 25 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2i0n n LEU 26 N 0.00 0.00 -3.59 -3.43 7.99 -1.26 -4.10 117.00 112.61 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 0.44 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.63 2i0n n LEU 26 CO 0.00 -0.21 -0.28 -0.22 -1.51 0.00 0.00 177.39 175.17 2i0n s LEU 27 N 0.00 1.89 0.52 2.23 0.20 -0.90 -3.94 118.68 118.68 2i0n s LEU 27 Ca 0.00 -2.47 -0.19 0.00 0.69 0.00 0.00 54.13 52.16 2i0n s LEU 27 Cb 0.00 -0.73 -0.07 0.00 -0.43 0.00 0.00 46.19 44.96 2i0n s LEU 27 CO 0.00 -0.28 1.06 -2.16 -0.29 0.00 0.00 176.35 174.68 2i0n s PRO 28 N 0.63 3.62 0.15 0.98 0.04 -1.26 -4.70 135.00 134.46 2i0n s PRO 28 Ca 0.19 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.53 2i0n s PRO 28 Cb -0.22 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.28 2i0n s PRO 28 CO -0.01 -0.58 0.37 1.97 0.04 0.00 0.00 177.00 178.80 2i0n n PHE 29 N -1.24 -1.44 -4.44 0.56 1.16 -1.11 -4.98 117.46 105.96 2i0n n PHE 29 Ca 0.10 -0.76 -0.26 0.00 -1.87 0.00 0.00 57.45 54.66 2i0n n PHE 29 Cb 0.52 0.38 -0.10 0.00 -1.61 0.00 0.00 39.48 38.67 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 -2.04 1.99 1.02 3.97 2.20 -1.26 -1.49 119.74 124.13 2i0n s LYS 30 Ca 0.08 -1.91 -0.17 0.00 -0.36 0.00 0.00 55.97 53.61 2i0n s LYS 30 Cb -0.02 -1.80 0.07 0.00 -1.51 0.00 0.00 37.83 34.57 2i0n s LYS 30 CO 0.05 0.06 -0.15 -2.13 -0.36 0.00 0.00 175.35 172.81 2i0n n ARG 31 N -0.95 -1.51 -3.86 4.03 0.63 -1.19 -3.40 116.66 110.42 2i0n n ARG 31 Ca -0.04 -0.44 -0.27 0.00 -0.92 0.00 0.00 57.85 56.18 2i0n n ARG 31 Cb 0.64 -1.44 -0.02 0.00 0.45 0.00 0.00 32.46 32.09 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 -0.31 -1.26 -4.21 6.15 0.23 -0.76 -4.83 115.26 110.27 2i0n n ASN 32 Ca 0.02 -0.87 -0.30 0.00 -0.53 0.00 0.00 54.58 52.90 2i0n n ASN 32 Cb 0.50 -1.06 -0.17 0.00 -2.08 0.00 0.00 39.78 36.98 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 2.79 -0.59 0.53 1.11 -1.12 -4.76 116.67 110.66 2i0n s ASP 33 Ca 0.19 -0.48 -0.27 0.00 0.18 0.00 0.00 52.55 52.18 2i0n s ASP 33 Cb -0.11 -0.96 0.04 0.00 1.07 0.00 0.00 42.92 42.96 2i0n s ASP 33 CO 0.66 0.19 1.11 -0.63 1.18 0.00 0.00 175.17 177.67 2i0n s ILE 34 N 0.09 4.13 -0.57 0.77 -1.09 -1.26 0.16 121.20 123.42 2i0n s ILE 34 Ca -0.09 0.60 -0.25 0.00 -2.23 0.00 0.00 60.65 58.69 2i0n s ILE 34 Cb -0.15 -4.68 0.04 0.00 -1.58 0.00 0.00 42.46 36.10 2i0n s ILE 34 CO 0.05 -1.31 0.99 -0.63 -1.23 0.00 0.00 174.94 172.80 2i0n s ILE 35 N 4.65 4.31 -0.81 2.92 1.01 0.31 -4.83 121.20 128.76 2i0n s ILE 35 Ca 0.37 0.28 -0.26 0.00 0.00 0.00 0.00 60.65 61.05 2i0n s ILE 35 Cb -0.10 -4.59 -0.11 0.00 0.01 0.00 0.00 42.46 37.67 2i0n s ILE 35 CO 0.22 -1.21 2.27 -0.89 0.00 0.00 0.00 174.94 175.33 2i0n s THR 36 N 4.15 3.14 -0.34 2.92 2.01 -0.96 -2.21 115.64 124.36 2i0n s THR 36 Ca 0.31 -0.11 -0.33 0.00 0.31 0.00 0.00 61.69 61.87 2i0n s THR 36 Cb -0.12 -3.31 -0.10 0.00 0.01 0.00 0.00 72.50 68.97 2i0n s THR 36 CO 0.19 -0.30 2.21 -0.38 -0.69 0.00 0.00 174.62 175.65 2i0n n ILE 37 N 8.48 0.21 -0.04 1.82 5.41 -1.25 -2.35 119.36 131.64 2i0n n ILE 37 Ca 0.44 -0.31 -0.04 0.00 1.00 0.00 0.00 62.75 63.83 2i0n n ILE 37 Cb 0.45 -1.85 -0.14 0.00 -0.71 0.00 0.00 39.64 37.39 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 7.35 1.18 -3.27 1.39 -2.24 -0.55 -4.78 114.28 113.35 2i0n n THR 38 Ca 0.39 -0.76 0.03 0.00 -2.27 0.00 0.00 64.05 61.44 2i0n n THR 38 Cb 0.28 -0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.76 -1.38 0.58 4.78 5.36 -0.50 -5.03 117.98 119.03 2i0n s PHE 39 Ca -0.07 1.70 -0.19 0.00 -0.96 0.00 0.00 56.93 57.40 2i0n s PHE 39 Cb 0.08 0.57 -0.04 0.00 -0.34 0.00 0.00 43.02 43.29 2i0n s PHE 39 CO 0.84 -0.74 1.20 0.15 -1.46 0.00 0.00 175.22 175.21 2i0n s LYS 40 N 2.86 3.08 0.00 10.12 1.02 -1.26 -1.91 119.74 133.64 2i0n s LYS 40 Ca 0.11 1.82 0.00 0.00 0.02 0.00 0.00 55.97 57.92 2i0n s LYS 40 Cb -0.13 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2i0n s LYS 40 CO -0.19 -1.12 0.00 -0.25 -0.92 0.00 0.00 175.35 172.87 2i0n n ASP 41 N -1.45 0.00 -0.62 2.83 9.92 -1.25 -4.79 116.55 121.19 2i0n n ASP 41 Ca 0.13 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.46 2i0n n ASP 41 Cb 0.49 -0.07 0.10 0.00 -0.64 0.00 0.00 41.12 41.00 2i0n n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2i0n n GLN 42 N -1.63 1.49 -2.24 -1.24 6.02 -1.19 -4.96 117.38 113.63 2i0n n GLN 42 Ca 0.00 -1.58 -0.12 0.00 -0.01 0.00 0.00 57.00 55.29 2i0n n GLN 42 Cb 0.00 -1.28 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 2i0n n GLN 42 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2i0n n GLU 43 N 0.76 -2.05 0.00 -1.09 4.71 -1.26 -4.28 120.64 117.43 2i0n n GLU 43 Ca 0.10 0.62 0.00 0.00 -0.01 0.00 0.00 57.16 57.87 2i0n n GLU 43 Cb 0.38 -5.15 0.00 0.00 -1.01 0.00 0.00 31.44 25.66 2i0n n GLU 43 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 2i0n n ASN 44 N -1.54 0.00 0.00 1.62 2.85 -1.26 -5.06 115.26 111.87 2i0n n ASN 44 Ca -0.14 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 2i0n n ASN 44 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 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 -0.50 0.00 -4.05 1.20 4.01 -1.26 -4.35 118.16 113.21 2i0n n LYS 45 Ca 0.00 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.59 2i0n n LYS 45 Cb 0.00 -0.12 -0.03 0.00 -0.51 0.00 0.00 35.03 34.37 2i0n n LYS 45 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 2i0n s TRP 46 N -0.30 3.24 -0.05 2.13 0.52 -1.26 -1.41 118.94 121.81 2i0n s TRP 46 Ca 0.00 -0.08 -0.02 0.00 0.02 0.00 0.00 56.10 56.02 2i0n s TRP 46 Cb 0.00 -1.48 0.03 0.00 -1.15 0.00 0.00 33.47 30.87 2i0n s TRP 46 CO 0.00 0.48 0.10 -0.06 0.02 0.00 0.00 176.95 177.49 2i0n s PHE 47 N -2.08 -0.10 -0.49 -1.98 0.08 -0.85 -3.19 117.98 109.37 2i0n s PHE 47 Ca 0.34 0.34 -0.21 0.00 0.12 0.00 0.00 56.93 57.52 2i0n s PHE 47 Cb -0.08 -0.10 0.04 0.00 -0.57 0.00 0.00 43.02 42.31 2i0n s PHE 47 CO 0.27 -0.12 0.71 1.41 -0.10 0.00 0.00 175.22 177.38 2i0n s MET 48 N 0.91 3.23 0.41 0.44 1.75 -0.80 -2.31 119.30 122.93 2i0n s MET 48 Ca -0.07 -0.54 0.03 0.00 -1.25 0.00 0.00 55.69 53.86 2i0n s MET 48 Cb -0.10 -4.03 -0.01 0.00 2.84 0.00 0.00 34.83 33.53 2i0n s MET 48 CO -0.04 -1.20 0.13 0.41 -0.65 0.00 0.00 175.02 173.67 2i0n n GLY 49 N 5.11 3.29 3.54 2.11 0.00 -1.07 -1.41 105.19 116.75 2i0n n GLY 49 Ca -0.03 -2.14 -0.17 0.00 0.00 0.00 0.00 46.02 43.68 2i0n n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2i0n s GLN 50 N -3.56 1.00 0.00 1.61 -0.44 -0.99 -1.73 119.66 115.55 2i0n s GLN 50 Ca 0.18 0.38 0.00 0.00 -2.50 0.00 0.00 55.36 53.42 2i0n s GLN 50 Cb 0.01 0.48 0.00 0.00 -1.64 0.00 0.00 33.01 31.85 2i0n s GLN 50 CO 0.13 -0.28 0.00 1.47 0.50 0.00 0.00 175.29 177.10 2i0n n LEU 51 N 1.21 0.00 -4.54 3.68 -0.00 0.14 -2.25 117.00 115.25 2i0n n LEU 51 Ca -0.18 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.60 2i0n n LEU 51 Cb 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.89 2i0n n LEU 51 CO 0.20 0.00 1.68 -0.46 -0.00 0.00 0.00 177.39 178.81 2i0n n ASN 52 N 0.00 1.14 -3.90 1.45 6.94 -1.26 -2.59 115.26 117.04 2i0n n ASN 52 Ca 0.00 -0.91 -0.31 0.00 -0.02 0.00 0.00 54.58 53.34 2i0n n ASN 52 Cb 0.00 -1.35 0.00 0.00 -2.36 0.00 0.00 39.78 36.07 2i0n n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2i0n n GLY 53 N 6.34 -0.48 2.89 4.83 0.00 -1.26 -4.95 105.19 112.56 2i0n n GLY 53 Ca 0.51 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.54 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 -6.60 0.05 -0.12 1.61 -0.14 -1.07 -5.14 119.74 108.33 2i0n s LYS 54 Ca 0.64 0.21 -0.05 0.00 -1.36 0.00 0.00 55.97 55.41 2i0n s LYS 54 Cb -0.34 -0.11 0.06 0.00 -1.68 0.00 0.00 37.83 35.76 2i0n s LYS 54 CO 0.79 -0.10 0.26 -2.00 -0.76 0.00 0.00 175.35 173.53 2i0n s GLU 55 N 0.68 0.17 0.00 1.68 2.12 -1.26 0.28 118.70 122.37 2i0n s GLU 55 Ca -0.05 0.66 0.00 0.00 0.36 0.00 0.00 54.97 55.94 2i0n s GLU 55 Cb -0.07 -0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.24 2i0n s GLU 55 CO -0.03 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.87 2i0n n GLY 56 N 4.88 0.99 3.22 -1.50 0.00 -0.71 -4.64 105.19 107.43 2i0n n GLY 56 Ca -0.14 0.31 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 0.42 -0.29 1.61 0.01 -1.26 -2.60 113.70 113.60 2i0n s SER 57 Ca 0.00 -1.43 -0.24 0.00 1.31 0.00 0.00 55.95 55.59 2i0n s SER 57 Cb 0.00 0.39 0.14 0.00 0.21 0.00 0.00 66.02 66.75 2i0n s SER 57 CO 0.00 -0.86 1.10 0.72 0.41 0.00 0.00 173.24 174.61 2i0n s PHE 58 N -4.04 -0.41 0.59 2.43 -0.12 -0.98 -2.12 117.98 113.34 2i0n s PHE 58 Ca 0.39 0.97 -0.18 0.00 -0.05 0.00 0.00 56.93 58.06 2i0n s PHE 58 Cb 0.06 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 2i0n s PHE 58 CO 0.14 -0.20 1.16 -1.25 -0.05 0.00 0.00 175.22 175.02 2i0n s PRO 59 N 0.34 3.06 0.00 1.99 0.04 -1.26 -2.01 135.00 137.15 2i0n s PRO 59 Ca 0.02 1.66 0.11 0.00 0.04 0.00 0.00 61.00 62.84 2i0n s PRO 59 Cb -0.05 -1.96 0.52 0.00 0.04 0.00 0.00 34.50 33.05 2i0n s PRO 59 CO -0.09 -1.10 1.32 0.28 0.04 0.00 0.00 177.00 177.45 2i0n n VAL 60 N -1.67 1.02 0.22 -0.36 0.31 -0.50 -2.86 118.33 114.49 2i0n n VAL 60 Ca 0.12 0.25 0.08 0.00 -0.01 0.00 0.00 64.34 64.78 2i0n n VAL 60 Cb 0.51 -1.06 0.36 0.00 -0.91 0.00 0.00 33.84 32.74 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 -1.41 0.34 -2.70 4.52 8.00 -1.26 -3.46 116.55 120.58 2i0n n ASP 61 Ca 0.04 0.63 -0.06 0.00 0.71 0.00 0.00 54.79 56.11 2i0n n ASP 61 Cb 0.11 -0.69 0.08 0.00 -0.02 0.00 0.00 41.12 40.60 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 -1.93 -0.48 -3.66 1.24 1.44 -1.13 -4.99 115.22 105.71 2i0n n HIS 62 Ca 0.00 -2.26 -0.07 0.00 -2.01 0.00 0.00 57.72 53.39 2i0n n HIS 62 Cb 0.08 0.57 -0.08 0.00 0.12 0.00 0.00 29.99 30.68 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 -1.68 -0.33 0.53 0.61 -7.23 -1.22 -1.01 120.40 110.06 2i0n s VAL 63 Ca 0.23 0.06 0.02 0.00 -1.81 0.00 0.00 61.98 60.48 2i0n s VAL 63 Cb 0.42 -0.82 0.03 0.00 0.56 0.00 0.00 36.38 36.56 2i0n s VAL 63 CO -0.04 0.02 0.75 -0.70 -0.31 0.00 0.00 175.10 174.82 2i0n s GLU 64 N 2.01 2.61 -0.13 4.82 2.12 -0.60 -4.83 118.70 124.70 2i0n s GLU 64 Ca -0.07 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.48 2i0n s GLU 64 Cb -0.09 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.79 2i0n s GLU 64 CO -0.16 -0.64 -0.20 0.42 -0.54 0.00 0.00 175.26 174.14 2i0n s ILE 65 N -2.71 2.32 -0.46 -3.70 -1.09 -1.26 -1.47 121.20 112.84 2i0n s ILE 65 Ca 0.56 -0.90 -0.14 0.00 -2.23 0.00 0.00 60.65 57.94 2i0n s ILE 65 Cb -0.10 -1.94 0.07 0.00 -1.58 0.00 0.00 42.46 38.91 2i0n s ILE 65 CO 0.38 0.54 0.36 -0.76 -1.23 0.00 0.00 174.94 174.23 2i0n s LEU 66 N 0.63 5.48 0.14 2.97 1.43 0.12 -4.92 118.68 124.53 2i0n s LEU 66 Ca -0.10 -1.36 0.02 0.00 -1.03 0.00 0.00 54.13 51.65 2i0n s LEU 66 Cb -0.16 -2.13 -0.10 0.00 0.03 0.00 0.00 46.19 43.83 2i0n s LEU 66 CO 0.02 -0.61 1.31 -0.07 0.23 0.00 0.00 176.35 177.24 2i0n h LEU 67 N 8.66 0.24 -1.29 1.79 3.38 -1.92 -2.88 115.31 123.29 2i0n h LEU 67 Ca -0.27 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2i0n h LEU 67 Cb 1.10 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2i0n h LEU 67 CO 0.84 1.08 0.00 0.28 0.09 0.00 0.00 178.44 180.73 2i0n h SER 68 N 0.08 0.00 -6.01 -0.43 0.02 -1.98 -3.46 113.55 101.78 2i0n h SER 68 Ca -0.06 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.47 2i0n h SER 68 Cb 1.64 0.00 0.07 0.00 0.14 0.00 0.00 62.40 64.26 2i0n h SER 68 CO 0.15 0.00 -0.73 -0.67 -1.14 0.00 0.00 176.83 174.44 2i0n n ASP 69 N -2.42 -4.95 -4.70 3.07 -0.08 -1.17 -4.97 116.55 101.32 2i0n n ASP 69 Ca 0.00 -0.65 -0.35 0.00 -1.51 0.00 0.00 54.79 52.28 2i0n n ASP 69 Cb 0.15 -4.57 -0.09 0.00 2.34 0.00 0.00 41.12 38.95 2i0n n ASP 69 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2i0n s VAL 70 N -3.35 5.01 -0.37 5.18 1.01 -1.26 -5.05 120.40 121.57 2i0n s VAL 70 Ca 0.50 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.23 2i0n s VAL 70 Cb -0.24 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 32.91 2i0n s VAL 70 CO 0.77 0.49 1.37 -2.16 0.00 0.00 0.00 175.10 175.57 2i0n s PRO 71 N 0.03 3.70 0.74 2.72 0.04 -1.26 -5.01 135.00 135.96 2i0n s PRO 71 Ca 0.07 1.04 -0.08 0.00 0.04 0.00 0.00 61.00 62.07 2i0n s PRO 71 Cb -0.12 -3.97 0.08 0.00 0.04 0.00 0.00 34.50 30.53 2i0n s PRO 71 CO 0.00 -1.40 1.06 -1.25 0.04 0.00 0.00 177.00 175.46 2i0n s PRO 72 N 4.65 1.98 -0.24 0.56 0.04 -1.26 -5.00 135.00 135.73 2i0n s PRO 72 Ca 0.59 -0.28 -0.29 0.00 0.04 0.00 0.00 61.00 61.06 2i0n s PRO 72 Cb -0.15 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2i0n s PRO 72 CO 0.29 -1.41 1.43 -1.25 0.04 0.00 0.00 177.00 176.10 2i0n s PRO 73 N -5.35 3.92 0.04 0.56 0.04 -1.26 -5.00 135.00 127.94 2i0n s PRO 73 Ca 0.62 1.49 0.06 0.00 0.04 0.00 0.00 61.00 63.21 2i0n s PRO 73 Cb -0.10 -3.93 -0.02 0.00 0.04 0.00 0.00 34.50 30.49 2i0n s PRO 73 CO 0.46 -1.13 -0.18 1.14 0.04 0.00 0.00 177.00 177.33 2i0n s GLN 74 N 4.28 1.22 0.74 4.56 -2.07 -1.26 -5.08 119.66 122.05 2i0n s GLN 74 Ca 0.63 -0.86 -0.11 0.00 -1.82 0.00 0.00 55.36 53.20 2i0n s GLN 74 Cb -0.21 -1.29 0.04 0.00 -1.09 0.00 0.00 33.01 30.45 2i0n s GLN 74 CO 0.25 0.33 1.08 -1.25 -1.32 0.00 0.00 175.29 174.37 2i0n s PRO 75 N -1.12 2.56 -0.21 9.60 0.04 -1.26 -5.07 135.00 139.54 2i0n s PRO 75 Ca 0.05 0.79 -0.04 0.00 0.04 0.00 0.00 61.00 61.85 2i0n s PRO 75 Cb -0.08 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.59 2i0n s PRO 75 CO 0.01 -1.32 0.19 0.08 0.04 0.00 0.00 177.00 176.00 2i0n s VAL 76 N -3.11 -0.26 -0.26 -0.36 1.01 -1.26 -5.09 120.40 111.07 2i0n s VAL 76 Ca 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 2i0n s VAL 76 Cb -0.14 -0.70 0.13 0.00 0.00 0.00 0.00 36.38 35.67 2i0n s VAL 76 CO 0.55 -0.28 0.34 -1.00 0.00 0.00 0.00 175.10 174.70 2i0n s HIS 77 N 2.27 -0.68 -0.46 5.22 3.76 -1.26 -5.10 115.29 119.03 2i0n s HIS 77 Ca 0.06 0.38 -0.28 0.00 -0.15 0.00 0.00 55.06 55.07 2i0n s HIS 77 Cb -0.16 -0.20 -0.00 0.00 1.11 0.00 0.00 32.58 33.33 2i0n s HIS 77 CO -0.15 -0.80 1.62 -1.25 -0.85 0.00 0.00 174.74 173.30 2i0n s PRO 78 N 2.46 3.25 0.55 8.40 0.04 -1.26 -4.97 135.00 143.47 2i0n s PRO 78 Ca 0.10 0.90 -0.21 0.00 0.04 0.00 0.00 61.00 61.83 2i0n s PRO 78 Cb -0.14 -4.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.18 2i0n s PRO 78 CO -0.22 -1.98 1.36 0.54 0.04 0.00 0.00 177.00 176.74 2i0n s VAL 79 N 6.74 2.03 0.00 -0.36 0.11 -1.26 -5.35 120.40 122.30 2i0n s VAL 79 Ca 0.66 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 2i0n s VAL 79 Cb -0.15 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 2i0n s VAL 79 CO 0.29 -0.00 0.21 0.00 -3.33 0.00 0.00 175.10 172.26