#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4i n GLY 2 N 0.00 -0.31 2.85 0.44 0.00 -1.26 -4.19 105.19 102.72 1n4i n GLY 2 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 1n4i n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n4i n SER 3 N 0.00 -5.74 -3.82 1.61 7.64 -1.26 -4.94 113.62 107.11 1n4i n SER 3 Ca 0.00 0.17 -0.20 0.00 1.01 0.00 0.00 58.87 59.85 1n4i n SER 3 Cb 0.00 -3.90 0.12 0.00 -1.01 0.00 0.00 64.21 59.42 1n4i n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i n THR 5 N -2.93 0.06 -3.73 0.00 -1.04 -1.26 -4.85 114.28 100.54 1n4i n THR 5 Ca 0.13 -0.30 -0.27 0.00 -2.04 0.00 0.00 64.05 61.57 1n4i n THR 5 Cb 0.47 1.37 0.01 0.00 -1.82 0.00 0.00 70.33 70.35 1n4i n THR 5 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1n4i n ASN 6 N -0.03 -3.60 0.00 8.00 0.23 -1.26 0.02 115.26 118.62 1n4i n ASN 6 Ca 0.00 -0.89 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 1n4i n ASN 6 Cb 0.14 -1.26 0.00 0.00 -2.08 0.00 0.00 39.78 36.58 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1n4i n THR 7 N -3.00 0.00 0.00 5.53 -1.04 -1.26 -3.26 114.28 111.25 1n4i n THR 7 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1n4i n THR 7 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1n4i n THR 7 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1n4i n ASN 8 N 1.94 0.00 0.00 8.00 3.02 0.10 -4.93 115.26 123.39 1n4i n ASN 8 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1n4i n ASN 8 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1n4i n ASN 8 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1n4i n SER 9 N 0.00 1.72 -4.91 6.41 2.88 -0.81 -4.41 113.62 114.51 1n4i n SER 9 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1n4i n SER 9 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1n4i n SER 9 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1n4i s GLN 10 N 3.56 2.55 -0.31 -1.46 -0.21 -1.19 -4.88 119.66 117.73 1n4i s GLN 10 Ca 0.00 -1.52 -0.13 0.00 0.02 0.00 0.00 55.36 53.72 1n4i s GLN 10 Cb 0.00 -2.43 0.19 0.00 1.00 0.00 0.00 33.01 31.76 1n4i s GLN 10 CO 0.00 -0.26 1.13 -1.17 -2.12 0.00 0.00 175.29 172.87 1n4i s LEU 11 N -4.20 -0.11 0.40 2.90 2.96 -0.91 -2.11 118.68 117.61 1n4i s LEU 11 Ca 0.49 -0.03 -0.22 0.00 -0.22 0.00 0.00 54.13 54.15 1n4i s LEU 11 Cb -0.04 0.39 -0.15 0.00 0.50 0.00 0.00 46.19 46.89 1n4i s LEU 11 CO 0.29 -0.01 0.15 -0.24 -1.32 0.00 0.00 176.35 175.21 1n4i n SER 12 N 3.97 -2.62 0.13 3.68 2.88 -1.25 -4.65 113.62 115.76 1n4i n SER 12 Ca 0.06 0.83 0.09 0.00 -1.33 0.00 0.00 58.87 58.52 1n4i n SER 12 Cb 0.63 -0.91 0.47 0.00 -0.75 0.00 0.00 64.21 63.65 1n4i n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i n ALA 13 N -0.97 1.05 1.17 -1.46 0.00 -1.26 -0.26 120.51 118.78 1n4i n ALA 13 Ca 0.12 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.84 1n4i n ALA 13 Cb 0.39 -1.26 0.27 0.00 0.00 0.00 0.00 19.45 18.86 1n4i n ALA 13 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n4i n ASN 14 N -2.11 1.23 -2.59 0.00 5.15 -1.26 -4.09 115.26 111.59 1n4i n ASN 14 Ca -0.01 -1.00 -0.01 0.00 -0.60 0.00 0.00 54.58 52.96 1n4i n ASN 14 Cb 0.03 0.24 0.01 0.00 -0.53 0.00 0.00 39.78 39.53 1n4i n ASN 14 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1n4i n SER 15 N -0.58 -1.16 -3.58 1.20 3.41 0.64 -4.58 113.62 108.97 1n4i n SER 15 Ca 0.11 -0.45 -0.14 0.00 -0.26 0.00 0.00 58.87 58.13 1n4i n SER 15 Cb 0.37 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.18 1n4i n SER 15 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1n4i s LYS 16 N -3.05 0.18 0.00 4.33 2.20 -1.25 -4.36 119.74 117.78 1n4i s LYS 16 Ca 0.02 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1n4i s LYS 16 Cb -0.00 -0.43 0.00 0.00 -1.51 0.00 0.00 37.83 35.89 1n4i s LYS 16 CO 0.01 -0.43 0.00 0.00 -0.36 0.00 0.00 175.35 174.57 1n4i n GLU 18 N -0.19 -2.66 -3.35 0.00 4.07 -1.26 -4.81 120.64 112.43 1n4i n GLU 18 Ca 0.00 1.96 -0.19 0.00 -0.06 0.00 0.00 57.16 58.88 1n4i n GLU 18 Cb 0.00 -2.19 0.06 0.00 -0.06 0.00 0.00 31.44 29.25 1n4i n GLU 18 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1n4i n LYS 19 N -0.61 -6.23 -3.82 5.31 5.02 -1.26 -4.99 118.16 111.58 1n4i n LYS 19 Ca 0.00 0.65 -0.07 0.00 -2.02 0.00 0.00 58.31 56.87 1n4i n LYS 19 Cb 0.00 -5.15 -0.02 0.00 -0.02 0.00 0.00 35.03 29.85 1n4i n LYS 19 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1n4i s SER 20 N -3.26 -0.27 -0.42 4.39 0.15 -1.23 -4.38 113.70 108.67 1n4i s SER 20 Ca 0.45 -0.54 -0.09 0.00 0.70 0.00 0.00 55.95 56.47 1n4i s SER 20 Cb -0.20 0.69 0.08 0.00 -1.71 0.00 0.00 66.02 64.88 1n4i s SER 20 CO 0.57 -1.27 0.26 -0.89 1.20 0.00 0.00 173.24 173.11 1n4i s THR 21 N -3.83 4.20 0.07 6.45 2.01 -1.10 -4.98 115.64 118.46 1n4i s THR 21 Ca 0.10 -1.43 0.01 0.00 0.31 0.00 0.00 61.69 60.69 1n4i s THR 21 Cb -0.05 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1n4i s THR 21 CO 0.05 -0.52 0.19 -0.76 -0.69 0.00 0.00 174.62 172.89 1n4i s LEU 22 N 1.42 4.23 -0.34 4.42 2.01 -1.26 -2.65 118.68 126.50 1n4i s LEU 22 Ca 0.03 0.19 0.03 0.00 0.01 0.00 0.00 54.13 54.39 1n4i s LEU 22 Cb -0.23 -2.84 0.19 0.00 0.01 0.00 0.00 46.19 43.32 1n4i s LEU 22 CO 0.02 0.16 0.71 -0.89 1.01 0.00 0.00 176.35 177.36 1n4i s THR 23 N -1.51 -0.82 -1.14 5.49 2.01 -1.06 -4.47 115.64 114.14 1n4i s THR 23 Ca 0.34 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.32 1n4i s THR 23 Cb -0.13 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 71.98 1n4i s THR 23 CO 0.27 0.00 0.24 0.59 -0.69 0.00 0.00 174.62 175.02 1n4i n ASN 24 N 4.80 -4.57 -3.96 3.53 5.03 -1.20 0.18 115.26 119.06 1n4i n ASN 24 Ca 0.08 -0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.41 1n4i n ASN 24 Cb 0.57 -3.56 0.00 0.00 -1.02 0.00 0.00 39.78 35.76 1n4i n ASN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n4i n TYR 26 N -0.90 0.00 0.00 0.00 4.19 -0.90 -3.15 117.16 116.40 1n4i n TYR 26 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1n4i n TYR 26 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1n4i n TYR 26 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1n4i n VAL 27 N 0.00 0.00 0.00 2.97 0.31 -1.26 -2.15 118.33 118.20 1n4i n VAL 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1n4i n VAL 27 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1n4i n VAL 27 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1n4i n ASP 28 N -3.32 0.00 -2.68 4.52 8.00 -1.25 -4.09 116.55 117.73 1n4i n ASP 28 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 1n4i n ASP 28 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 1n4i n ASP 28 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1n4i n LYS 29 N 0.00 0.63 -1.33 -1.24 5.02 -1.26 -4.49 118.16 115.49 1n4i n LYS 29 Ca 0.00 -1.21 0.00 0.00 -2.02 0.00 0.00 58.31 55.08 1n4i n LYS 29 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 1n4i n LYS 29 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1n4i n SER 30 N -0.45 1.27 0.05 4.39 7.64 -1.26 -1.51 113.62 123.74 1n4i n SER 30 Ca -0.15 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1n4i n SER 30 Cb 0.74 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1n4i n SER 30 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1n4i n GLU 31 N 0.00 0.00 -1.02 1.43 2.13 -1.24 -3.75 120.64 118.19 1n4i n GLU 31 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1n4i n GLU 31 Cb 0.00 -0.14 0.00 0.00 0.27 0.00 0.00 31.44 31.57 1n4i n GLU 31 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1n4i n VAL 32 N -3.00 -2.42 0.01 6.31 0.31 0.21 -3.75 118.33 116.00 1n4i n VAL 32 Ca 0.00 1.12 0.00 0.00 -0.01 0.00 0.00 64.34 65.45 1n4i n VAL 32 Cb 0.00 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1n4i n VAL 32 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1n4i n TYR 33 N -1.85 -0.19 -2.48 3.52 4.02 -1.19 -4.80 117.16 114.18 1n4i n TYR 33 Ca 0.00 0.03 -0.01 0.00 -0.01 0.00 0.00 57.90 57.92 1n4i n TYR 33 Cb 0.22 0.38 0.05 0.00 -0.02 0.00 0.00 39.34 39.97 1n4i n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n4i n GLY 34 N 1.90 2.37 3.75 2.72 0.00 -1.12 -3.53 105.19 111.29 1n4i n GLY 34 Ca 0.00 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 1n4i n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n4i s THR 35 N -2.37 4.53 -0.89 2.61 2.01 -1.00 -2.50 115.64 118.03 1n4i s THR 35 Ca 0.34 1.78 0.15 0.00 0.31 0.00 0.00 61.69 64.26 1n4i s THR 35 Cb 0.36 -4.18 0.13 0.00 0.01 0.00 0.00 72.50 68.83 1n4i s THR 35 CO -0.08 0.41 1.47 0.41 -0.69 0.00 0.00 174.62 176.14 1n4i n THR 36 N 2.37 1.05 -4.21 -0.82 -1.04 -0.70 -2.71 114.28 108.21 1n4i n THR 36 Ca -0.02 0.28 -0.30 0.00 -2.04 0.00 0.00 64.05 61.97 1n4i n THR 36 Cb 0.49 -1.08 -0.07 0.00 -1.82 0.00 0.00 70.33 67.85 1n4i n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4i n THR 38 N -4.52 1.39 -2.30 0.00 -1.04 -1.26 -2.58 114.28 103.98 1n4i n THR 38 Ca -0.31 -1.05 -0.02 0.00 -2.04 0.00 0.00 64.05 60.63 1n4i n THR 38 Cb 0.69 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 1n4i n THR 38 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n4i n GLY 39 N 4.36 -0.93 3.19 3.41 0.00 0.13 -3.38 105.19 111.97 1n4i n GLY 39 Ca 0.42 0.42 -0.09 0.00 0.00 0.00 0.00 46.02 46.76 1n4i n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n4i s SER 40 N -2.21 0.11 0.15 1.61 0.01 -1.24 -3.62 113.70 108.51 1n4i s SER 40 Ca 0.07 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.80 1n4i s SER 40 Cb -0.02 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.48 1n4i s SER 40 CO 0.42 -0.67 -0.09 -0.60 0.41 0.00 0.00 173.24 172.71 1n4i s ARG 41 N -3.46 1.08 0.00 12.44 3.52 -1.25 -3.07 118.95 128.20 1n4i s ARG 41 Ca 0.02 -1.47 0.00 0.00 -0.13 0.00 0.00 55.73 54.15 1n4i s ARG 41 Cb 0.03 -0.60 0.00 0.00 -1.56 0.00 0.00 34.95 32.82 1n4i s ARG 41 CO -0.09 0.05 0.00 1.19 -0.81 0.00 0.00 175.30 175.65 1n4i n PHE 42 N -0.21 0.00 -2.66 5.12 3.72 -1.26 -2.57 117.46 119.60 1n4i n PHE 42 Ca -0.10 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.26 1n4i n PHE 42 Cb 0.61 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.15 1n4i n PHE 42 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1n4i n ASP 43 N -2.09 -1.23 0.00 4.37 2.03 -1.26 -3.83 116.55 114.54 1n4i n ASP 43 Ca 0.00 -1.75 0.00 0.00 0.52 0.00 0.00 54.79 53.56 1n4i n ASP 43 Cb 0.00 0.98 0.00 0.00 -0.72 0.00 0.00 41.12 41.38 1n4i n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n4i n GLY 44 N -0.53 0.50 0.00 0.27 0.00 -0.83 -3.11 105.19 101.49 1n4i n GLY 44 Ca -0.23 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1n4i n GLY 44 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1n4i n VAL 45 N 0.00 0.00 -2.78 1.61 0.24 -0.57 -0.55 118.33 116.29 1n4i n VAL 45 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1n4i n VAL 45 Cb 0.00 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.45 1n4i n VAL 45 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1n4i n THR 46 N 0.00 0.06 -1.80 3.34 -1.04 -0.99 -3.63 114.28 110.22 1n4i n THR 46 Ca 0.00 -2.04 -0.29 0.00 -2.04 0.00 0.00 64.05 59.68 1n4i n THR 46 Cb 0.00 1.05 0.10 0.00 -1.82 0.00 0.00 70.33 69.66 1n4i n THR 46 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1n4i s ILE 47 N -0.39 2.00 0.00 12.58 2.07 -1.26 -2.85 121.20 133.36 1n4i s ILE 47 Ca 0.25 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.49 1n4i s ILE 47 Cb 0.34 -2.93 0.00 0.00 0.13 0.00 0.00 42.46 40.00 1n4i s ILE 47 CO -0.06 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.32 1n4i n THR 48 N -3.44 0.00 -1.73 4.00 -2.24 -1.20 -0.62 114.28 109.05 1n4i n THR 48 Ca 0.08 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 1n4i n THR 48 Cb 0.61 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1n4i n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1n4i s THR 49 N 3.68 2.71 -0.06 4.28 2.01 -1.26 -2.38 115.64 124.63 1n4i s THR 49 Ca 0.00 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 1n4i s THR 49 Cb 0.00 -3.06 0.10 0.00 0.01 0.00 0.00 72.50 69.56 1n4i s THR 49 CO 0.00 -0.00 0.88 -0.44 -0.69 0.00 0.00 174.62 174.37 1n4i s SER 50 N 3.14 -0.42 -0.14 3.53 0.01 -1.04 0.12 113.70 118.89 1n4i s SER 50 Ca 0.82 0.26 0.15 0.00 1.31 0.00 0.00 55.95 58.49 1n4i s SER 50 Cb -0.44 0.39 0.56 0.00 0.21 0.00 0.00 66.02 66.74 1n4i s SER 50 CO 0.37 -0.54 1.47 0.41 0.41 0.00 0.00 173.24 175.37 1n4i n THR 51 N 0.28 2.05 -1.59 1.44 -1.04 -1.25 -1.73 114.28 112.43 1n4i n THR 51 Ca -0.11 -1.54 -0.62 0.00 -2.04 0.00 0.00 64.05 59.74 1n4i n THR 51 Cb 0.60 -0.06 -0.09 0.00 -1.82 0.00 0.00 70.33 68.96 1n4i n THR 51 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1n4i n SER 52 N 0.11 0.59 -4.18 8.00 7.64 -1.22 -4.34 113.62 120.22 1n4i n SER 52 Ca 0.21 1.15 -0.35 0.00 1.01 0.00 0.00 58.87 60.90 1n4i n SER 52 Cb 0.85 -0.88 -0.14 0.00 -1.01 0.00 0.00 64.21 63.03 1n4i n SER 52 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1n4i s THR 53 N 1.46 2.93 -0.34 0.44 2.01 0.43 -3.99 115.64 118.58 1n4i s THR 53 Ca 0.96 -1.26 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 1n4i s THR 53 Cb -1.36 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 68.54 1n4i s THR 53 CO 0.68 0.00 0.23 0.61 -0.69 0.00 0.00 174.62 175.46 1n4i n GLY 54 N 4.63 -2.97 3.64 4.40 0.00 -1.22 0.21 105.19 113.89 1n4i n GLY 54 Ca -0.14 0.76 -0.07 0.00 0.00 0.00 0.00 46.02 46.57 1n4i n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n4i s SER 55 N -1.96 -0.83 -0.50 1.61 1.04 -1.26 -1.15 113.70 110.64 1n4i s SER 55 Ca 0.10 1.36 -0.23 0.00 0.48 0.00 0.00 55.95 57.66 1n4i s SER 55 Cb -0.03 1.35 0.04 0.00 0.10 0.00 0.00 66.02 67.48 1n4i s SER 55 CO 0.75 -0.22 0.82 -0.60 0.98 0.00 0.00 173.24 174.97 1n4i s ARG 56 N 1.44 3.32 -0.10 4.02 3.52 -1.26 -3.88 118.95 126.01 1n4i s ARG 56 Ca -0.09 -0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.25 1n4i s ARG 56 Cb -0.05 -4.01 0.30 0.00 -1.56 0.00 0.00 34.95 29.63 1n4i s ARG 56 CO -0.17 -1.28 1.02 -0.89 -0.81 0.00 0.00 175.30 173.17 1n4i n ILE 57 N 6.07 1.14 -1.39 4.11 2.08 -1.06 -3.17 119.36 127.14 1n4i n ILE 57 Ca 0.00 -0.55 -0.45 0.00 0.56 0.00 0.00 62.75 62.32 1n4i n ILE 57 Cb 0.47 -0.47 -0.01 0.00 -0.75 0.00 0.00 39.64 38.88 1n4i n ILE 57 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1n4i n SER 58 N 0.19 -1.54 0.00 4.38 7.64 -1.26 -4.44 113.62 118.60 1n4i n SER 58 Ca 0.12 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1n4i n SER 58 Cb 0.65 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1n4i n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n4i n GLY 59 N 2.02 1.38 2.54 0.23 0.00 -1.18 -4.63 105.19 105.54 1n4i n GLY 59 Ca 0.14 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1n4i n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n4i n PRO 60 N -0.20 4.09 0.00 1.61 -0.04 -1.25 -3.52 135.00 135.68 1n4i n PRO 60 Ca 0.00 -3.14 0.00 0.00 -0.04 0.00 0.00 63.50 60.32 1n4i n PRO 60 Cb 0.00 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 30.69 1n4i n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n4i n GLY 61 N 2.50 1.45 3.05 0.55 0.00 -0.58 -5.05 105.19 107.12 1n4i n GLY 61 Ca 0.61 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.26 1n4i n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4i s LYS 63 N -2.31 0.49 0.34 0.00 2.20 -1.25 -2.35 119.74 116.86 1n4i s LYS 63 Ca 0.40 0.97 0.10 0.00 -0.36 0.00 0.00 55.97 57.08 1n4i s LYS 63 Cb 0.06 0.34 -0.06 0.00 -1.51 0.00 0.00 37.83 36.66 1n4i s LYS 63 CO 0.65 -0.52 -0.10 0.42 -0.36 0.00 0.00 175.35 175.44 1n4i s ILE 64 N 2.77 2.28 -0.30 5.43 -1.09 -1.13 -4.67 121.20 124.49 1n4i s ILE 64 Ca 0.12 -2.22 -0.10 0.00 -2.23 0.00 0.00 60.65 56.22 1n4i s ILE 64 Cb -0.14 -2.62 0.17 0.00 -1.58 0.00 0.00 42.46 38.30 1n4i s ILE 64 CO -0.19 -0.22 0.90 -0.55 -1.23 0.00 0.00 174.94 173.65 1n4i s SER 65 N -3.60 -0.76 -0.94 3.58 0.15 -1.26 -3.26 113.70 107.60 1n4i s SER 65 Ca 0.32 0.65 -0.10 0.00 0.70 0.00 0.00 55.95 57.53 1n4i s SER 65 Cb 0.02 1.71 -0.00 0.00 -1.71 0.00 0.00 66.02 66.03 1n4i s SER 65 CO 0.16 -0.14 0.71 0.41 1.20 0.00 0.00 173.24 175.58 1n4i n THR 66 N 5.32 -6.17 -3.94 6.45 -1.04 0.33 -3.77 114.28 111.46 1n4i n THR 66 Ca -0.06 -0.48 -0.31 0.00 -2.04 0.00 0.00 64.05 61.16 1n4i n THR 66 Cb 0.52 -4.56 -0.15 0.00 -1.82 0.00 0.00 70.33 64.33 1n4i n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4i s ILE 68 N 0.72 3.23 0.20 0.00 1.09 -1.26 -3.56 121.20 121.62 1n4i s ILE 68 Ca 0.13 -0.36 0.01 0.00 -1.10 0.00 0.00 60.65 59.32 1n4i s ILE 68 Cb -0.21 -4.07 -0.04 0.00 -1.06 0.00 0.00 42.46 37.08 1n4i s ILE 68 CO -0.08 -0.43 0.37 -0.63 -0.10 0.00 0.00 174.94 174.06 1n4i s ILE 69 N 14.27 5.23 -0.29 2.92 1.01 -1.26 -1.33 121.20 141.76 1n4i s ILE 69 Ca 0.78 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.95 1n4i s ILE 69 Cb -0.05 -3.75 0.17 0.00 0.01 0.00 0.00 42.46 38.84 1n4i s ILE 69 CO 0.14 -0.19 0.48 -0.89 0.00 0.00 0.00 174.94 174.48 1n4i s THR 70 N -1.87 -0.77 0.00 2.92 2.01 0.40 0.16 115.64 118.50 1n4i s THR 70 Ca 0.37 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1n4i s THR 70 Cb -0.11 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1n4i s THR 70 CO 0.29 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 1n4i n GLY 71 N 5.38 1.14 2.03 4.40 0.00 0.57 -3.78 105.19 114.93 1n4i n GLY 71 Ca 0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 1n4i n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4i n GLY 72 N -1.15 0.46 3.14 -0.02 0.00 -0.30 -3.92 105.19 103.39 1n4i n GLY 72 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 1n4i n GLY 72 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n4i s VAL 73 N -2.01 1.75 0.46 1.61 -7.23 -1.25 -4.36 120.40 109.37 1n4i s VAL 73 Ca 0.00 -0.83 -0.21 0.00 -1.81 0.00 0.00 61.98 59.13 1n4i s VAL 73 Cb 0.00 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.31 1n4i s VAL 73 CO 0.00 0.49 1.02 -2.16 -0.31 0.00 0.00 175.10 174.14 1n4i s PRO 74 N 0.59 3.95 0.39 4.82 0.04 -1.26 -0.45 135.00 143.07 1n4i s PRO 74 Ca -0.14 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.27 1n4i s PRO 74 Cb -0.17 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 1n4i s PRO 74 CO 0.05 -0.30 0.57 0.00 0.04 0.00 0.00 177.00 177.35 1n4i s ALA 75 N -1.96 3.97 -0.72 8.56 0.00 -0.44 -4.90 121.76 126.27 1n4i s ALA 75 Ca 0.65 -1.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 1n4i s ALA 75 Cb -0.16 -1.92 -0.07 0.00 0.00 0.00 0.00 23.12 20.97 1n4i s ALA 75 CO 0.20 -0.20 2.15 -0.35 0.00 0.00 0.00 175.76 177.56 1n4i n PRO 76 N -1.85 1.89 -3.46 0.00 -0.04 -1.26 -4.79 135.00 125.48 1n4i n PRO 76 Ca 0.00 -1.27 -0.32 0.00 -0.04 0.00 0.00 63.50 61.87 1n4i n PRO 76 Cb 0.58 -2.31 -0.05 0.00 -0.04 0.00 0.00 33.50 31.68 1n4i n PRO 76 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1n4i s SER 77 N 3.19 6.61 0.09 3.54 0.01 -1.26 -4.99 113.70 120.89 1n4i s SER 77 Ca 0.39 0.87 0.23 0.00 1.31 0.00 0.00 55.95 58.75 1n4i s SER 77 Cb 0.12 -2.21 -0.06 0.00 0.21 0.00 0.00 66.02 64.08 1n4i s SER 77 CO -0.03 -0.04 0.90 0.00 0.41 0.00 0.00 173.24 174.48 1n4i n ALA 78 N -0.05 2.92 1.02 1.44 0.00 -1.26 -4.05 120.51 120.53 1n4i n ALA 78 Ca -0.00 -0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.19 1n4i n ALA 78 Cb 0.52 -0.97 0.13 0.00 0.00 0.00 0.00 19.45 19.13 1n4i n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4i n ALA 79 N -2.07 3.91 -1.62 0.00 0.00 -1.26 -4.93 120.51 114.54 1n4i n ALA 79 Ca -0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.69 1n4i n ALA 79 Cb 0.51 -0.99 0.10 0.00 0.00 0.00 0.00 19.45 19.07 1n4i n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4i n LYS 81 N -3.45 0.27 -3.52 0.00 -0.00 -1.25 -5.00 118.16 105.21 1n4i n LYS 81 Ca 0.07 0.10 -0.18 0.00 -0.00 0.00 0.00 58.31 58.30 1n4i n LYS 81 Cb 0.57 -1.03 0.00 0.00 -0.00 0.00 0.00 35.03 34.58 1n4i n LYS 81 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1n4i n ILE 82 N -3.31 -5.67 0.00 0.58 2.08 -1.26 -4.97 119.36 106.81 1n4i n ILE 82 Ca -0.23 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.05 1n4i n ILE 82 Cb 0.68 -4.31 0.00 0.00 -0.75 0.00 0.00 39.64 35.26 1n4i n ILE 82 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1n4i n SER 83 N -2.08 0.00 -3.41 4.38 2.88 -1.26 -4.92 113.62 109.21 1n4i n SER 83 Ca -0.19 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 56.99 1n4i n SER 83 Cb 0.63 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.07 1n4i n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n4i n GLY 84 N 2.80 3.75 0.99 0.46 0.00 -1.26 -4.78 105.19 107.15 1n4i n GLY 84 Ca 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.69 1n4i n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4i n THR 86 N -0.18 0.00 -4.56 0.00 5.66 -1.26 -5.06 114.28 108.87 1n4i n THR 86 Ca -0.01 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.73 1n4i n THR 86 Cb 0.15 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.82 1n4i n THR 86 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1n4i s PHE 87 N -2.00 2.43 0.00 1.09 0.08 -1.26 -4.32 117.98 114.00 1n4i s PHE 87 Ca 0.00 -0.56 0.05 0.00 0.12 0.00 0.00 56.93 56.54 1n4i s PHE 87 Cb 0.00 -1.50 0.08 0.00 -0.57 0.00 0.00 43.02 41.03 1n4i s PHE 87 CO 0.00 0.53 0.92 0.45 -0.10 0.00 0.00 175.22 177.02 1n4i n SER 88 N -0.84 0.10 -3.43 1.36 2.88 -1.19 -4.85 113.62 107.66 1n4i n SER 88 Ca -0.05 -1.77 -0.19 0.00 -1.33 0.00 0.00 58.87 55.52 1n4i n SER 88 Cb 0.65 -0.13 0.04 0.00 -0.75 0.00 0.00 64.21 64.01 1n4i n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i n ALA 89 N 0.09 -2.55 0.00 -1.46 0.00 -1.25 -4.62 120.51 110.72 1n4i n ALA 89 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1n4i n ALA 89 Cb 0.74 -3.78 0.00 0.00 0.00 0.00 0.00 19.45 16.41 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77