#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 0.96 3.71 -5.12 0.00 -1.26 -5.08 105.19 98.39 2i0n n GLY 2 Ca 0.00 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 4.40 -0.36 1.61 0.04 -1.26 -5.00 135.00 134.43 2i0n s PRO 3 Ca 0.00 1.83 -0.00 0.00 0.04 0.00 0.00 61.00 62.87 2i0n s PRO 3 Cb 0.00 -3.36 0.12 0.00 0.04 0.00 0.00 34.50 31.30 2i0n s PRO 3 CO 0.00 -0.33 0.17 -1.17 0.04 0.00 0.00 177.00 175.71 2i0n s LEU 4 N 1.25 1.96 0.00 -3.56 2.96 -1.26 -5.09 118.68 114.94 2i0n s LEU 4 Ca 0.60 -2.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.49 2i0n s LEU 4 Cb -0.31 -0.77 0.00 0.00 0.50 0.00 0.00 46.19 45.61 2i0n s LEU 4 CO 0.29 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.57 2i0n n GLY 5 N 4.33 1.15 3.20 7.98 0.00 -1.26 -5.14 105.19 115.44 2i0n n GLY 5 Ca 0.04 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.67 1.05 -0.90 1.61 1.04 -1.26 -5.03 113.70 109.54 2i0n s SER 6 Ca 0.00 -1.12 -0.13 0.00 0.48 0.00 0.00 55.95 55.18 2i0n s SER 6 Cb 0.00 0.14 -0.09 0.00 0.10 0.00 0.00 66.02 66.16 2i0n s SER 6 CO 0.00 -0.55 2.05 -0.81 0.98 0.00 0.00 173.24 174.91 2i0n n PRO 7 N -0.14 1.91 0.00 4.02 -0.04 -1.26 -3.81 135.00 135.68 2i0n n PRO 7 Ca -0.09 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 2i0n n PRO 7 Cb 0.62 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 2i0n n PRO 7 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2i0n n GLU 8 N 5.47 0.00 0.00 0.54 -0.58 -1.26 -4.95 120.64 119.86 2i0n n GLU 8 Ca 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 2i0n n GLU 8 Cb 0.26 -0.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.53 2i0n n GLU 8 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2i0n n PHE 9 N -1.98 -0.51 -1.46 -0.32 7.35 -1.25 -4.91 117.46 114.38 2i0n n PHE 9 Ca 0.00 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.87 2i0n n PHE 9 Cb 0.18 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.91 2i0n n PHE 9 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2i0n n ALA 10 N -3.00 -3.83 0.00 3.13 0.00 -1.26 -4.99 120.51 110.55 2i0n n ALA 10 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 53.44 54.36 2i0n n ALA 10 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 -4.37 0.00 -2.46 0.00 3.00 -1.24 -5.04 118.16 108.05 2i0n n LYS 11 Ca -0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.18 2i0n n LYS 11 Cb 0.69 -0.41 -0.02 0.00 0.00 0.00 0.00 35.03 35.29 2i0n n LYS 11 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2i0n n TYR 12 N -1.60 -0.11 -3.90 5.64 4.02 -1.10 -4.41 117.16 115.70 2i0n n TYR 12 Ca 0.00 -0.56 -0.11 0.00 -0.01 0.00 0.00 57.90 57.22 2i0n n TYR 12 Cb 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 2i0n n TYR 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2i0n n ALA 13 N -2.56 -1.09 -3.35 -0.72 0.00 -0.30 -0.31 120.51 112.18 2i0n n ALA 13 Ca -0.03 -1.40 -0.08 0.00 0.00 0.00 0.00 53.44 51.93 2i0n n ALA 13 Cb 0.12 1.12 -0.08 0.00 0.00 0.00 0.00 19.45 20.62 2i0n n ALA 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2i0n s ARG 14 N -2.40 0.36 -0.26 0.00 6.06 0.34 -0.56 118.95 122.48 2i0n s ARG 14 Ca 0.21 0.58 -0.37 0.00 -2.50 0.00 0.00 55.73 53.65 2i0n s ARG 14 Cb -0.03 -0.40 -0.13 0.00 0.06 0.00 0.00 34.95 34.45 2i0n s ARG 14 CO 0.16 -0.63 1.94 0.00 -2.50 0.00 0.00 175.30 174.27 2i0n n ALA 15 N 5.37 0.54 1.30 6.12 0.00 0.53 -0.67 120.51 133.70 2i0n n ALA 15 Ca -0.04 0.20 0.14 0.00 0.00 0.00 0.00 53.44 53.75 2i0n n ALA 15 Cb 0.50 -2.41 0.69 0.00 0.00 0.00 0.00 19.45 18.24 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 7.33 0.06 -3.55 0.00 4.77 -1.08 -0.88 117.00 123.65 2i0n n LEU 16 Ca 0.31 0.31 -0.07 0.00 -0.03 0.00 0.00 56.01 56.53 2i0n n LEU 16 Cb 0.20 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2i0n n LEU 16 CO 0.77 0.01 0.74 -1.59 -1.33 0.00 0.00 177.39 175.99 2i0n s LYS 17 N -2.69 0.80 0.42 3.23 -2.85 -1.26 -4.51 119.74 112.89 2i0n s LYS 17 Ca 0.24 -0.33 -0.26 0.00 -1.00 0.00 0.00 55.97 54.62 2i0n s LYS 17 Cb 0.20 0.35 -0.09 0.00 -2.06 0.00 0.00 37.83 36.22 2i0n s LYS 17 CO 0.49 -0.35 1.45 -0.25 0.10 0.00 0.00 175.35 176.79 2i0n n ASP 18 N -0.26 3.51 -4.04 0.03 9.92 -1.26 -3.83 116.55 120.62 2i0n n ASP 18 Ca -0.07 1.16 -0.24 0.00 -0.53 0.00 0.00 54.79 55.11 2i0n n ASP 18 Cb 0.61 -1.61 -0.16 0.00 -0.64 0.00 0.00 41.12 39.32 2i0n n ASP 18 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2i0n s TYR 19 N -1.16 1.41 0.31 1.24 5.04 0.37 -4.87 117.35 119.69 2i0n s TYR 19 Ca 0.58 -0.47 0.07 0.00 -2.44 0.00 0.00 57.07 54.81 2i0n s TYR 19 Cb -0.46 -1.01 -0.03 0.00 0.35 0.00 0.00 41.96 40.81 2i0n s TYR 19 CO 0.60 -0.23 0.31 -0.80 -1.34 0.00 0.00 175.55 174.10 2i0n s ASN 20 N 0.48 5.55 -0.22 4.32 0.02 -1.26 -2.79 114.94 121.03 2i0n s ASN 20 Ca -0.11 -0.35 -0.04 0.00 -1.02 0.00 0.00 52.86 51.35 2i0n s ASN 20 Cb -0.14 -1.17 0.09 0.00 0.02 0.00 0.00 41.25 40.05 2i0n s ASN 20 CO 0.03 -0.29 0.16 0.68 0.02 0.00 0.00 177.10 177.70 2i0n s VAL 21 N -2.22 -0.19 -1.25 1.60 -7.23 -1.26 -4.93 120.40 104.92 2i0n s VAL 21 Ca 0.40 -0.33 -0.17 0.00 -1.81 0.00 0.00 61.98 60.07 2i0n s VAL 21 Cb -0.07 -0.75 0.10 0.00 0.56 0.00 0.00 36.38 36.22 2i0n s VAL 21 CO 0.27 -0.39 1.61 -0.44 -0.31 0.00 0.00 175.10 175.85 2i0n s SER 22 N 2.21 6.89 0.00 4.85 0.01 -1.26 -4.78 113.70 121.61 2i0n s SER 22 Ca 0.06 -2.55 0.00 0.00 1.31 0.00 0.00 55.95 54.77 2i0n s SER 22 Cb -0.16 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2i0n s SER 22 CO -0.19 -1.06 0.00 -0.67 0.41 0.00 0.00 173.24 171.73 2i0n n ASP 23 N 7.54 0.34 -1.71 2.44 2.03 -1.26 -5.05 116.55 120.88 2i0n n ASP 23 Ca 0.44 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.74 2i0n n ASP 23 Cb 0.45 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.87 2i0n n ASP 23 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2i0n n THR 24 N 0.00 0.21 -2.00 5.18 -2.24 -1.26 -4.90 114.28 109.28 2i0n n THR 24 Ca 0.00 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 2i0n n THR 24 Cb 0.00 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 2i0n n THR 24 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2i0n n SER 25 N -0.04 0.00 -1.05 3.42 2.88 -1.26 -5.14 113.62 112.44 2i0n n SER 25 Ca -0.06 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.48 2i0n n SER 25 Cb 0.94 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 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 -3.72 2.46 4.77 -1.26 -3.90 117.00 115.35 2i0n n LEU 26 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 2i0n n LEU 26 Cb 0.50 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.44 2i0n n LEU 26 CO 0.00 -0.26 -0.32 -0.22 -1.33 0.00 0.00 177.39 175.26 2i0n s LEU 27 N 0.00 2.21 0.01 2.23 2.96 -0.53 -3.95 118.68 121.62 2i0n s LEU 27 Ca 0.00 -1.74 -0.29 0.00 -0.22 0.00 0.00 54.13 51.87 2i0n s LEU 27 Cb 0.00 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 2i0n s LEU 27 CO 0.00 -0.40 0.96 -2.16 -1.32 0.00 0.00 176.35 173.43 2i0n s PRO 28 N 1.49 4.57 0.22 0.98 0.04 -1.26 -4.72 135.00 136.33 2i0n s PRO 28 Ca 0.11 1.38 -0.07 0.00 0.04 0.00 0.00 61.00 62.46 2i0n s PRO 28 Cb -0.18 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 2i0n s PRO 28 CO -0.22 0.01 0.31 -0.59 0.04 0.00 0.00 177.00 176.54 2i0n s PHE 29 N 0.82 0.73 0.35 0.56 -0.12 -1.12 -4.98 117.98 114.21 2i0n s PHE 29 Ca 0.50 -1.03 0.07 0.00 -0.05 0.00 0.00 56.93 56.42 2i0n s PHE 29 Cb -0.21 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 41.98 2i0n s PHE 29 CO 0.28 -0.82 0.32 0.21 -0.05 0.00 0.00 175.22 175.15 2i0n s LYS 30 N -4.08 2.72 1.10 1.99 2.20 -1.26 -0.47 119.74 121.92 2i0n s LYS 30 Ca 0.30 -1.32 -0.16 0.00 -0.36 0.00 0.00 55.97 54.43 2i0n s LYS 30 Cb 0.03 -2.48 0.18 0.00 -1.51 0.00 0.00 37.83 34.05 2i0n s LYS 30 CO 0.10 0.05 0.31 -2.13 -0.36 0.00 0.00 175.35 173.32 2i0n n ARG 31 N -1.41 -2.44 -3.87 4.03 0.63 -1.25 -3.44 116.66 108.91 2i0n n ARG 31 Ca -0.01 -0.72 -0.23 0.00 -0.92 0.00 0.00 57.85 55.97 2i0n n ARG 31 Cb 0.60 -1.59 -0.08 0.00 0.45 0.00 0.00 32.46 31.85 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 -1.94 0.72 -4.31 6.15 0.23 -0.05 -4.85 115.26 111.21 2i0n n ASN 32 Ca 0.05 -0.96 -0.29 0.00 -0.53 0.00 0.00 54.58 52.86 2i0n n ASN 32 Cb 0.45 -1.19 -0.15 0.00 -2.08 0.00 0.00 39.78 36.81 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 -4.04 2.93 -0.20 0.53 1.11 -1.12 -4.82 116.67 111.06 2i0n s ASP 33 Ca 0.00 -0.56 -0.27 0.00 0.18 0.00 0.00 52.55 51.90 2i0n s ASP 33 Cb -0.00 -0.26 -0.00 0.00 1.07 0.00 0.00 42.92 43.72 2i0n s ASP 33 CO 0.75 0.23 0.92 -0.63 1.18 0.00 0.00 175.17 177.61 2i0n s ILE 34 N -0.80 4.80 -0.40 0.77 -1.09 -1.26 0.20 121.20 123.42 2i0n s ILE 34 Ca 0.10 1.78 -0.16 0.00 -2.23 0.00 0.00 60.65 60.15 2i0n s ILE 34 Cb -0.10 -4.21 0.01 0.00 -1.58 0.00 0.00 42.46 36.59 2i0n s ILE 34 CO 0.02 -0.07 0.38 -0.63 -1.23 0.00 0.00 174.94 173.41 2i0n s ILE 35 N 2.64 5.16 -0.79 2.92 -1.09 0.27 -4.45 121.20 125.86 2i0n s ILE 35 Ca 0.40 -0.35 -0.19 0.00 -2.23 0.00 0.00 60.65 58.28 2i0n s ILE 35 Cb -0.16 -3.96 -0.14 0.00 -1.58 0.00 0.00 42.46 36.63 2i0n s ILE 35 CO 0.10 -0.31 1.95 0.41 -1.23 0.00 0.00 174.94 175.85 2i0n n THR 36 N 5.31 1.92 -1.53 2.92 -1.04 0.38 -1.15 114.28 121.08 2i0n n THR 36 Ca -0.09 -1.55 -0.51 0.00 -2.04 0.00 0.00 64.05 59.87 2i0n n THR 36 Cb 0.48 -2.28 -0.06 0.00 -1.82 0.00 0.00 70.33 66.65 2i0n n THR 36 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2i0n n ILE 37 N 5.64 0.28 0.02 12.58 5.41 -1.26 -2.25 119.36 139.78 2i0n n ILE 37 Ca 0.48 -0.21 0.03 0.00 1.00 0.00 0.00 62.75 64.05 2i0n n ILE 37 Cb 0.35 -1.67 -0.04 0.00 -0.71 0.00 0.00 39.64 37.57 2i0n n ILE 37 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2i0n n THR 38 N 6.49 0.00 -3.16 1.39 5.66 -1.23 -4.66 114.28 118.78 2i0n n THR 38 Ca 0.35 -0.15 0.05 0.00 -3.05 0.00 0.00 64.05 61.25 2i0n n THR 38 Cb 0.24 0.41 -0.02 0.00 -1.55 0.00 0.00 70.33 69.41 2i0n n THR 38 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2i0n s PHE 39 N -2.35 -0.78 0.53 1.09 5.36 -0.07 -5.01 117.98 116.76 2i0n s PHE 39 Ca -0.02 0.85 0.05 0.00 -0.96 0.00 0.00 56.93 56.85 2i0n s PHE 39 Cb 0.04 0.28 0.05 0.00 -0.34 0.00 0.00 43.02 43.05 2i0n s PHE 39 CO 0.25 -0.43 0.74 -1.59 -1.46 0.00 0.00 175.22 172.73 2i0n s LYS 40 N 2.92 2.47 0.00 10.12 0.00 -1.26 -0.32 119.74 133.66 2i0n s LYS 40 Ca 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 55.97 54.83 2i0n s LYS 40 Cb -0.11 -2.60 0.00 0.00 0.00 0.00 0.00 37.83 35.12 2i0n s LYS 40 CO -0.13 -0.69 0.00 -3.47 0.00 0.00 0.00 175.35 171.05 2i0n n ASP 41 N -2.22 0.00 -3.36 0.03 2.03 -0.39 -4.81 116.55 107.83 2i0n n ASP 41 Ca 0.11 -0.26 -0.16 0.00 0.52 0.00 0.00 54.79 55.00 2i0n n ASP 41 Cb 0.60 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.03 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 -1.60 -3.99 -0.67 1.13 -1.26 -2.57 117.38 108.43 2i0n n GLN 42 Ca 0.00 0.94 -0.30 0.00 -1.94 0.00 0.00 57.00 55.70 2i0n n GLN 42 Cb 0.00 -4.98 0.00 0.00 0.11 0.00 0.00 30.24 25.37 2i0n n GLN 42 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2i0n n GLU 43 N -2.97 -4.44 -2.07 -1.09 4.07 -1.26 -0.55 120.64 112.33 2i0n n GLU 43 Ca -0.08 0.51 -0.13 0.00 -0.06 0.00 0.00 57.16 57.40 2i0n n GLU 43 Cb 0.58 -5.20 -0.02 0.00 -0.06 0.00 0.00 31.44 26.74 2i0n n GLU 43 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2i0n n ASN 44 N -2.83 -3.85 -0.09 4.31 2.85 -1.06 -4.78 115.26 109.80 2i0n n ASN 44 Ca -0.04 0.23 -0.12 0.00 -0.11 0.00 0.00 54.58 54.54 2i0n n ASN 44 Cb 0.56 -3.37 -0.11 0.00 1.24 0.00 0.00 39.78 38.09 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 -2.49 0.89 -4.60 1.20 5.02 0.28 -4.71 118.16 113.75 2i0n n LYS 45 Ca -0.15 0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.87 2i0n n LYS 45 Cb 0.55 -1.42 -0.13 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.41 2.90 -0.21 2.13 0.52 -1.09 -0.69 118.94 120.08 2i0n s TRP 46 Ca -0.19 -0.51 -0.05 0.00 0.02 0.00 0.00 56.10 55.36 2i0n s TRP 46 Cb 0.06 -1.90 -0.02 0.00 -1.15 0.00 0.00 33.47 30.46 2i0n s TRP 46 CO 0.58 -0.15 0.01 -0.06 0.02 0.00 0.00 176.95 177.35 2i0n s PHE 47 N 0.38 3.04 -0.38 -1.98 0.40 0.97 -1.27 117.98 119.16 2i0n s PHE 47 Ca -0.08 -0.50 -0.14 0.00 -0.60 0.00 0.00 56.93 55.61 2i0n s PHE 47 Cb -0.15 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.26 2i0n s PHE 47 CO 0.04 -0.29 0.30 1.41 0.70 0.00 0.00 175.22 177.38 2i0n s MET 48 N 1.17 3.26 0.00 0.44 1.75 0.56 -2.01 119.30 124.47 2i0n s MET 48 Ca 0.03 -0.78 0.00 0.00 -1.25 0.00 0.00 55.69 53.69 2i0n s MET 48 Cb -0.14 -3.89 0.00 0.00 2.84 0.00 0.00 34.83 33.63 2i0n s MET 48 CO 0.02 -0.61 0.00 0.41 -0.65 0.00 0.00 175.02 174.18 2i0n n GLY 49 N 5.11 4.49 0.52 2.11 0.00 -1.08 -0.89 105.19 115.46 2i0n n GLY 49 Ca -0.11 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 2i0n n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2i0n n GLN 50 N 0.00 0.14 0.00 1.61 6.02 -0.96 -2.58 117.38 121.62 2i0n n GLN 50 Ca 0.00 -0.36 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 2i0n n GLN 50 Cb 0.00 0.40 0.00 0.00 1.02 0.00 0.00 30.24 31.66 2i0n n GLN 50 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 2i0n n LEU 51 N 0.00 0.00 -4.53 1.08 -0.00 -0.70 0.14 117.00 112.99 2i0n n LEU 51 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 2i0n n LEU 51 Cb 0.09 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.37 2i0n n LEU 51 CO 0.04 0.00 1.74 -3.20 -0.00 0.00 0.00 177.39 175.97 2i0n n ASN 52 N 0.00 0.41 -4.01 1.45 5.15 -1.26 -2.61 115.26 114.39 2i0n n ASN 52 Ca 0.00 -0.86 -0.26 0.00 -0.60 0.00 0.00 54.58 52.85 2i0n n ASN 52 Cb 0.00 -1.14 -0.03 0.00 -0.53 0.00 0.00 39.78 38.08 2i0n n ASN 52 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2i0n n GLY 53 N 6.18 -0.22 3.47 8.20 0.00 -1.26 -4.95 105.19 116.61 2i0n n GLY 53 Ca 0.56 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.64 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 -6.68 1.31 -0.14 1.61 -0.14 -1.07 -5.18 119.74 109.45 2i0n s LYS 54 Ca 0.01 -0.82 -0.22 0.00 -1.36 0.00 0.00 55.97 53.58 2i0n s LYS 54 Cb -0.01 0.51 0.05 0.00 -1.68 0.00 0.00 37.83 36.71 2i0n s LYS 54 CO 0.91 -0.55 0.56 -2.00 -0.76 0.00 0.00 175.35 173.51 2i0n s GLU 55 N -3.86 0.77 0.00 1.68 2.12 -1.26 -1.72 118.70 116.44 2i0n s GLU 55 Ca 0.08 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.89 2i0n s GLU 55 Cb -0.00 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.76 2i0n s GLU 55 CO -0.05 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 2i0n n GLY 56 N 2.01 -0.70 3.41 -1.50 0.00 -1.06 -4.49 105.19 102.85 2i0n n GLY 56 Ca -0.16 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 2i0n n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i0n s SER 57 N -4.00 2.38 -0.29 1.61 0.15 -1.25 -2.62 113.70 109.67 2i0n s SER 57 Ca 0.00 -1.26 -0.24 0.00 0.70 0.00 0.00 55.95 55.15 2i0n s SER 57 Cb 0.00 -0.09 0.17 0.00 -1.71 0.00 0.00 66.02 64.39 2i0n s SER 57 CO 0.00 -0.48 1.29 0.72 1.20 0.00 0.00 173.24 175.97 2i0n s PHE 58 N -3.22 -0.20 0.19 3.44 -0.71 -0.85 -1.46 117.98 115.17 2i0n s PHE 58 Ca 0.32 0.48 -0.31 0.00 -1.04 0.00 0.00 56.93 56.38 2i0n s PHE 58 Cb 0.06 0.41 -0.10 0.00 -1.21 0.00 0.00 43.02 42.18 2i0n s PHE 58 CO 0.12 -0.10 1.53 -1.25 -1.34 0.00 0.00 175.22 174.18 2i0n s PRO 59 N 0.22 4.23 0.25 1.99 0.04 -1.26 -0.02 135.00 140.45 2i0n s PRO 59 Ca 0.04 2.34 0.16 0.00 0.04 0.00 0.00 61.00 63.58 2i0n s PRO 59 Cb -0.05 -3.14 0.89 0.00 0.04 0.00 0.00 34.50 32.24 2i0n s PRO 59 CO -0.12 -0.55 1.50 1.55 0.04 0.00 0.00 177.00 179.41 2i0n n VAL 60 N 3.51 1.23 -0.09 -0.36 3.14 0.13 -2.63 118.33 123.27 2i0n n VAL 60 Ca 0.12 0.69 -0.10 0.00 -2.96 0.00 0.00 64.34 62.08 2i0n n VAL 60 Cb 0.39 -1.69 -0.03 0.00 -1.06 0.00 0.00 33.84 31.45 2i0n n VAL 60 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2i0n h ASP 61 N 0.00 0.39 -1.60 6.55 1.82 -1.89 -3.18 116.42 118.51 2i0n h ASP 61 Ca 0.00 -0.19 -0.68 0.00 -0.39 0.00 0.00 57.03 55.77 2i0n h ASP 61 Cb 0.03 -0.10 -0.25 0.00 0.68 0.00 0.00 39.33 39.69 2i0n h ASP 61 CO 0.00 0.48 0.88 0.00 -1.61 0.00 0.00 179.24 178.98 2i0n n HIS 62 N -4.74 2.68 -3.67 0.28 1.44 -1.08 -4.88 115.22 105.26 2i0n n HIS 62 Ca -0.03 -2.34 -0.11 0.00 -2.01 0.00 0.00 57.72 53.24 2i0n n HIS 62 Cb 0.15 -1.26 -0.08 0.00 0.12 0.00 0.00 29.99 28.92 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 -4.36 -0.01 0.05 0.61 -7.23 -1.20 -2.64 120.40 105.62 2i0n s VAL 63 Ca 0.54 0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.61 2i0n s VAL 63 Cb 0.43 -0.84 -0.06 0.00 0.56 0.00 0.00 36.38 36.47 2i0n s VAL 63 CO -0.30 0.01 0.41 -0.70 -0.31 0.00 0.00 175.10 174.21 2i0n s GLU 64 N 0.97 3.83 -0.20 4.82 2.12 0.16 -4.82 118.70 125.59 2i0n s GLU 64 Ca -0.05 0.29 -0.16 0.00 0.36 0.00 0.00 54.97 55.40 2i0n s GLU 64 Cb -0.05 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2i0n s GLU 64 CO -0.09 0.61 0.42 0.42 -0.54 0.00 0.00 175.26 176.08 2i0n s ILE 65 N -1.27 5.19 -0.55 -3.70 -1.09 -1.26 0.13 121.20 118.64 2i0n s ILE 65 Ca 0.30 0.75 -0.21 0.00 -2.23 0.00 0.00 60.65 59.25 2i0n s ILE 65 Cb -0.15 -3.75 0.06 0.00 -1.58 0.00 0.00 42.46 37.04 2i0n s ILE 65 CO 0.16 0.25 0.79 -0.76 -1.23 0.00 0.00 174.94 174.15 2i0n s LEU 66 N 1.30 4.63 0.00 2.97 1.43 0.58 -4.87 118.68 124.71 2i0n s LEU 66 Ca 0.20 -0.79 0.29 0.00 -1.03 0.00 0.00 54.13 52.81 2i0n s LEU 66 Cb -0.15 -2.56 1.48 0.00 0.03 0.00 0.00 46.19 45.00 2i0n s LEU 66 CO 0.08 -1.11 1.98 0.18 0.23 0.00 0.00 176.35 177.71 2i0n n LEU 67 N 6.86 0.67 0.11 1.79 4.77 -1.26 -2.72 117.00 127.22 2i0n n LEU 67 Ca -0.04 -0.23 0.10 0.00 -0.03 0.00 0.00 56.01 55.81 2i0n n LEU 67 Cb 0.46 -0.00 0.45 0.00 -2.33 0.00 0.00 43.42 42.00 2i0n n LEU 67 CO 0.59 0.11 0.79 -0.24 -1.33 0.00 0.00 177.39 177.32 2i0n n SER 68 N -0.46 0.48 -3.66 -1.43 2.88 -1.26 -4.85 113.62 105.32 2i0n n SER 68 Ca 0.21 0.66 -0.25 0.00 -1.33 0.00 0.00 58.87 58.17 2i0n n SER 68 Cb 0.22 -0.75 0.07 0.00 -0.75 0.00 0.00 64.21 63.00 2i0n n SER 68 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2i0n n ASP 69 N -2.08 -5.85 -3.65 -3.46 -0.08 -1.25 -4.98 116.55 95.20 2i0n n ASP 69 Ca 0.01 -0.59 -0.07 0.00 -1.51 0.00 0.00 54.79 52.62 2i0n n ASP 69 Cb 0.12 -4.80 -0.07 0.00 2.34 0.00 0.00 41.12 38.71 2i0n n ASP 69 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2i0n s VAL 70 N -3.32 -0.07 -0.32 5.18 0.11 -1.26 -5.08 120.40 115.63 2i0n s VAL 70 Ca 0.57 0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.35 2i0n s VAL 70 Cb -0.26 -0.93 -0.00 0.00 -1.53 0.00 0.00 36.38 33.65 2i0n s VAL 70 CO 0.75 0.01 1.46 -2.16 -3.33 0.00 0.00 175.10 171.83 2i0n s PRO 71 N 1.69 3.72 0.97 1.54 0.04 -1.26 -5.00 135.00 136.69 2i0n s PRO 71 Ca -0.10 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 2i0n s PRO 71 Cb -0.06 -4.00 0.17 0.00 0.04 0.00 0.00 34.50 30.65 2i0n s PRO 71 CO -0.19 -1.38 1.15 -1.25 0.04 0.00 0.00 177.00 175.37 2i0n s PRO 72 N 4.69 0.66 -0.49 0.56 0.04 -1.26 -4.93 135.00 134.27 2i0n s PRO 72 Ca 0.64 0.17 -0.28 0.00 0.04 0.00 0.00 61.00 61.57 2i0n s PRO 72 Cb -0.18 -1.79 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 2i0n s PRO 72 CO 0.29 -2.50 1.60 -1.25 0.04 0.00 0.00 177.00 175.18 2i0n s PRO 73 N -5.35 3.22 0.78 0.56 0.04 -1.26 -4.99 135.00 128.00 2i0n s PRO 73 Ca 0.66 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 2i0n s PRO 73 Cb -0.13 -4.18 0.06 0.00 0.04 0.00 0.00 34.50 30.29 2i0n s PRO 73 CO 0.54 -2.01 1.10 -0.65 0.04 0.00 0.00 177.00 176.02 2i0n s GLN 74 N 5.76 2.17 -0.10 4.56 -1.52 -1.26 -4.94 119.66 124.32 2i0n s GLN 74 Ca 0.64 1.24 -0.30 0.00 -1.95 0.00 0.00 55.36 55.00 2i0n s GLN 74 Cb -0.15 -1.88 -0.03 0.00 -0.22 0.00 0.00 33.01 30.73 2i0n s GLN 74 CO 0.28 -1.72 1.35 -1.25 -0.25 0.00 0.00 175.29 173.69 2i0n s PRO 75 N -4.78 4.25 -0.19 2.91 0.04 -1.26 -5.00 135.00 130.97 2i0n s PRO 75 Ca 0.63 1.81 -0.04 0.00 0.04 0.00 0.00 61.00 63.43 2i0n s PRO 75 Cb -0.18 -3.73 0.08 0.00 0.04 0.00 0.00 34.50 30.70 2i0n s PRO 75 CO 0.55 -0.66 0.16 0.08 0.04 0.00 0.00 177.00 177.16 2i0n s VAL 76 N 3.18 -0.21 -0.94 -0.36 1.01 -1.26 -4.93 120.40 116.90 2i0n s VAL 76 Ca 0.60 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.34 2i0n s VAL 76 Cb -0.26 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2i0n s VAL 76 CO 0.21 -0.26 0.76 1.57 0.00 0.00 0.00 175.10 177.37 2i0n n HIS 77 N 5.30 -2.39 -2.28 5.22 -0.00 -1.26 -4.87 115.22 114.95 2i0n n HIS 77 Ca -0.06 0.81 -0.43 0.00 0.46 0.00 0.00 57.72 58.51 2i0n n HIS 77 Cb 0.49 -3.68 -0.02 0.00 -0.12 0.00 0.00 29.99 26.66 2i0n n HIS 77 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2i0n s PRO 78 N -4.54 4.04 0.25 1.57 0.04 -1.26 -5.02 135.00 130.09 2i0n s PRO 78 Ca 0.24 1.66 0.05 0.00 0.04 0.00 0.00 61.00 62.99 2i0n s PRO 78 Cb -0.07 -3.90 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 2i0n s PRO 78 CO 0.81 -0.97 0.34 0.54 0.04 0.00 0.00 177.00 177.76 2i0n s VAL 79 N 4.21 5.01 0.00 -0.36 0.11 -1.26 -5.27 120.40 122.83 2i0n s VAL 79 Ca 0.62 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 2i0n s VAL 79 Cb -0.23 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 2i0n s VAL 79 CO 0.23 -0.32 0.00 0.00 -3.33 0.00 0.00 175.10 171.68