#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 0.65 3.74 0.44 0.00 -1.26 -5.07 105.19 103.69 1n4i n GLY 2 Ca 0.00 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1n4i n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n4i s SER 3 N -4.00 6.84 0.00 1.61 0.15 -1.26 -4.83 113.70 112.21 1n4i s SER 3 Ca 0.00 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.12 1n4i s SER 3 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1n4i s SER 3 CO 0.00 -0.56 0.00 0.00 1.20 0.00 0.00 173.24 173.88 1n4i n THR 5 N -1.02 0.00 0.00 0.00 -1.04 -1.26 -4.06 114.28 106.91 1n4i n THR 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1n4i n THR 5 Cb 0.17 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 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 -0.53 0.00 0.00 8.00 6.94 -1.26 -2.13 115.26 126.28 1n4i n ASN 6 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1n4i n ASN 6 Cb 0.27 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1n4i n THR 7 N 0.00 0.00 0.00 5.53 -1.04 -1.26 -4.42 114.28 113.10 1n4i n THR 7 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1n4i n THR 7 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1n4i n THR 7 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1n4i n ASN 8 N -1.18 0.00 0.00 8.00 4.05 -0.91 -4.93 115.26 120.30 1n4i n ASN 8 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1n4i n ASN 8 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1n4i n ASN 8 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1n4i n SER 9 N 0.00 0.00 0.18 1.20 3.41 -1.09 -4.89 113.62 112.43 1n4i n SER 9 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1n4i n SER 9 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1n4i n SER 9 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1n4i n GLN 10 N -1.76 0.00 -2.90 4.33 7.27 -1.25 -5.01 117.38 118.06 1n4i n GLN 10 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.07 1n4i n GLN 10 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1n4i n GLN 10 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1n4i n LEU 11 N -3.24 -6.39 -4.40 1.69 7.94 -1.26 -4.03 117.00 107.31 1n4i n LEU 11 Ca 0.00 1.04 -0.46 0.00 -1.11 0.00 0.00 56.01 55.48 1n4i n LEU 11 Cb 0.00 -2.71 -0.02 0.00 0.53 0.00 0.00 43.42 41.22 1n4i n LEU 11 CO 0.00 -2.55 -0.04 -0.24 -1.11 0.00 0.00 177.39 173.46 1n4i n SER 12 N 0.90 -1.33 0.24 1.96 2.88 -0.86 -4.55 113.62 112.87 1n4i n SER 12 Ca 0.00 1.07 0.13 0.00 -1.33 0.00 0.00 58.87 58.73 1n4i n SER 12 Cb 0.19 -0.97 0.67 0.00 -0.75 0.00 0.00 64.21 63.35 1n4i n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i h ALA 13 N 0.95 1.16 -0.00 -1.46 0.00 -1.92 0.28 119.26 118.27 1n4i h ALA 13 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1n4i h ALA 13 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1n4i h ALA 13 CO 0.55 -0.16 -0.62 0.27 0.00 0.00 0.00 179.25 179.28 1n4i n ASN 14 N -2.49 0.86 -3.03 0.00 0.23 -1.26 -4.93 115.26 104.64 1n4i n ASN 14 Ca -0.02 -0.68 -0.14 0.00 -0.53 0.00 0.00 54.58 53.21 1n4i n ASN 14 Cb 0.24 0.49 0.12 0.00 -2.08 0.00 0.00 39.78 38.55 1n4i n ASN 14 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1n4i n SER 15 N -1.26 -1.99 -4.42 0.53 2.88 0.99 -4.42 113.62 105.92 1n4i n SER 15 Ca 0.06 -0.68 -0.22 0.00 -1.33 0.00 0.00 58.87 56.70 1n4i n SER 15 Cb 0.35 -0.47 -0.10 0.00 -0.75 0.00 0.00 64.21 63.24 1n4i n SER 15 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1n4i s LYS 16 N -4.10 1.55 -0.24 -1.46 2.47 -0.75 -4.88 119.74 112.33 1n4i s LYS 16 Ca 0.33 -1.70 -0.03 0.00 -1.56 0.00 0.00 55.97 53.00 1n4i s LYS 16 Cb -0.04 -1.53 0.13 0.00 -1.46 0.00 0.00 37.83 34.92 1n4i s LYS 16 CO 0.26 0.28 0.39 0.00 0.16 0.00 0.00 175.35 176.44 1n4i s GLU 18 N 2.57 0.15 -1.23 0.00 2.12 -1.26 -4.85 118.70 116.20 1n4i s GLU 18 Ca 0.10 0.31 -0.10 0.00 0.36 0.00 0.00 54.97 55.64 1n4i s GLU 18 Cb -0.15 0.11 -0.01 0.00 0.26 0.00 0.00 34.13 34.35 1n4i s GLU 18 CO -0.15 -0.04 0.71 1.63 -0.54 0.00 0.00 175.26 176.87 1n4i n LYS 19 N 3.99 -2.75 -4.10 4.30 5.02 -1.26 -4.30 118.16 119.06 1n4i n LYS 19 Ca -0.13 0.53 -0.08 0.00 -2.02 0.00 0.00 58.31 56.62 1n4i n LYS 19 Cb 0.56 -4.66 -0.10 0.00 -0.02 0.00 0.00 35.03 30.80 1n4i n LYS 19 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1n4i s SER 20 N -3.88 0.41 -0.42 4.39 1.04 -1.26 -1.46 113.70 112.52 1n4i s SER 20 Ca 0.25 -1.06 0.10 0.00 0.48 0.00 0.00 55.95 55.72 1n4i s SER 20 Cb -0.08 0.24 0.33 0.00 0.10 0.00 0.00 66.02 66.61 1n4i s SER 20 CO 0.84 -0.65 0.74 1.07 0.98 0.00 0.00 173.24 176.22 1n4i n THR 21 N 0.03 0.47 -1.46 2.02 5.66 -1.03 -4.86 114.28 115.12 1n4i n THR 21 Ca -0.11 -4.72 -0.30 0.00 -3.05 0.00 0.00 64.05 55.87 1n4i n THR 21 Cb 0.62 -0.78 0.21 0.00 -1.55 0.00 0.00 70.33 68.83 1n4i n THR 21 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1n4i s LEU 22 N -2.46 1.62 -0.30 1.09 1.43 -1.21 -4.15 118.68 114.70 1n4i s LEU 22 Ca 0.41 0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 1n4i s LEU 22 Cb 0.30 -2.45 0.15 0.00 0.03 0.00 0.00 46.19 44.22 1n4i s LEU 22 CO -0.09 -3.41 0.78 -0.89 0.23 0.00 0.00 176.35 172.97 1n4i s THR 23 N -3.37 -0.79 -0.08 5.49 2.01 0.23 -4.67 115.64 114.45 1n4i s THR 23 Ca 0.71 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.66 1n4i s THR 23 Cb -0.08 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.45 1n4i s THR 23 CO 0.55 0.00 0.11 0.59 -0.69 0.00 0.00 174.62 175.18 1n4i n ASN 24 N 5.28 -3.97 -0.04 3.53 5.03 -1.26 -1.95 115.26 121.89 1n4i n ASN 24 Ca -0.10 1.22 0.00 0.00 0.87 0.00 0.00 54.58 56.57 1n4i n ASN 24 Cb 0.51 -3.51 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 0.00 -0.76 -0.79 0.00 9.36 -0.78 -3.99 117.16 120.20 1n4i n TYR 26 Ca 0.00 -0.84 -0.25 0.00 3.32 0.00 0.00 57.90 60.13 1n4i n TYR 26 Cb 0.00 0.87 0.01 0.00 -0.63 0.00 0.00 39.34 39.59 1n4i n TYR 26 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1n4i n VAL 27 N -0.57 0.00 -3.61 2.97 0.31 -1.26 -4.31 118.33 111.85 1n4i n VAL 27 Ca -0.18 -0.33 -0.07 0.00 -0.01 0.00 0.00 64.34 63.75 1n4i n VAL 27 Cb 0.69 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.54 1n4i n VAL 27 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1n4i s ASP 28 N -0.65 -0.34 -0.69 4.52 2.15 -1.13 -2.02 116.67 118.51 1n4i s ASP 28 Ca 0.35 0.99 -0.09 0.00 0.43 0.00 0.00 52.55 54.23 1n4i s ASP 28 Cb -0.29 1.46 0.01 0.00 -0.30 0.00 0.00 42.92 43.81 1n4i s ASP 28 CO 0.45 -0.24 0.64 0.29 -0.17 0.00 0.00 175.17 176.14 1n4i n LYS 29 N 5.40 -1.65 -3.51 4.34 5.02 -1.26 -1.24 118.16 125.25 1n4i n LYS 29 Ca -0.08 1.24 -0.13 0.00 -2.02 0.00 0.00 58.31 57.32 1n4i n LYS 29 Cb 0.49 -3.61 -0.04 0.00 -0.02 0.00 0.00 35.03 31.86 1n4i n LYS 29 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1n4i s SER 30 N -2.68 -0.47 -0.18 4.39 0.01 -1.26 0.25 113.70 113.75 1n4i s SER 30 Ca 0.10 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.40 1n4i s SER 30 Cb -0.02 0.54 0.02 0.00 0.21 0.00 0.00 66.02 66.78 1n4i s SER 30 CO 0.84 -0.85 -0.19 -1.61 0.41 0.00 0.00 173.24 171.83 1n4i s GLU 31 N -3.24 2.88 0.20 12.44 2.02 0.02 -1.80 118.70 131.22 1n4i s GLU 31 Ca -0.01 -0.81 0.10 0.00 0.02 0.00 0.00 54.97 54.27 1n4i s GLU 31 Cb -0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 1n4i s GLU 31 CO -0.08 -0.22 -0.20 0.08 0.02 0.00 0.00 175.26 174.86 1n4i s VAL 32 N 1.31 2.06 -0.07 2.63 1.01 -1.23 -1.00 120.40 125.11 1n4i s VAL 32 Ca 0.05 -2.07 0.09 0.00 0.00 0.00 0.00 61.98 60.05 1n4i s VAL 32 Cb -0.13 -2.02 0.19 0.00 0.00 0.00 0.00 36.38 34.42 1n4i s VAL 32 CO -0.13 -0.31 1.13 -1.22 0.00 0.00 0.00 175.10 174.57 1n4i n TYR 33 N 0.05 -0.25 0.00 5.22 4.01 -1.21 -4.25 117.16 120.73 1n4i n TYR 33 Ca -0.11 -0.79 0.00 0.00 -0.16 0.00 0.00 57.90 56.84 1n4i n TYR 33 Cb 0.58 0.48 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1n4i n TYR 33 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n4i n GLY 34 N -0.17 0.61 2.80 2.72 0.00 -0.53 -3.92 105.19 106.70 1n4i n GLY 34 Ca -0.17 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1n4i n GLY 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n4i n THR 35 N 0.00 0.00 0.50 2.61 -1.04 0.77 -3.54 114.28 113.59 1n4i n THR 35 Ca 0.00 -0.36 0.08 0.00 -2.04 0.00 0.00 64.05 61.73 1n4i n THR 35 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1n4i n THR 35 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1n4i n THR 36 N -2.54 0.00 -2.93 12.58 -1.04 -1.25 -2.45 114.28 116.65 1n4i n THR 36 Ca -0.02 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1n4i n THR 36 Cb 0.56 0.70 0.00 0.00 -1.82 0.00 0.00 70.33 69.77 1n4i n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4i s THR 38 N -0.44 4.68 -0.80 0.00 2.01 -1.25 -0.60 115.64 119.24 1n4i s THR 38 Ca 0.00 -2.27 0.00 0.00 0.31 0.00 0.00 61.69 59.73 1n4i s THR 38 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1n4i s THR 38 CO 0.00 -0.90 0.00 0.61 -0.69 0.00 0.00 174.62 173.64 1n4i n GLY 39 N 4.28 -0.07 0.00 4.40 0.00 0.83 -4.04 105.19 110.60 1n4i n GLY 39 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1n4i n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n4i n SER 40 N -1.15 0.48 -3.51 1.61 7.64 -1.20 -4.83 113.62 112.66 1n4i n SER 40 Ca -0.10 -0.61 -0.11 0.00 1.01 0.00 0.00 58.87 59.06 1n4i n SER 40 Cb 0.48 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 1n4i n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i s ARG 41 N -0.23 0.90 0.26 1.43 1.70 -1.26 -1.86 118.95 119.89 1n4i s ARG 41 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.15 1n4i s ARG 41 Cb 0.00 0.42 -0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1n4i s ARG 41 CO 0.00 -0.35 0.00 1.19 -1.08 0.00 0.00 175.30 175.07 1n4i n PHE 42 N 0.20 0.59 -2.66 5.89 3.72 -1.26 -4.08 117.46 119.85 1n4i n PHE 42 Ca -0.13 -1.32 -0.04 0.00 -0.05 0.00 0.00 57.45 55.91 1n4i n PHE 42 Cb 0.60 -0.17 0.08 0.00 -0.94 0.00 0.00 39.48 39.06 1n4i n PHE 42 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1n4i n ASP 43 N -1.20 -1.45 0.00 4.37 9.92 -0.93 -2.81 116.55 124.44 1n4i n ASP 43 Ca -0.11 -2.08 0.00 0.00 -0.53 0.00 0.00 54.79 52.08 1n4i n ASP 43 Cb 0.34 0.85 0.00 0.00 -0.64 0.00 0.00 41.12 41.67 1n4i n ASP 43 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1n4i n GLY 44 N -0.73 0.71 1.74 0.44 0.00 0.69 -3.61 105.19 104.42 1n4i n GLY 44 Ca -0.12 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.91 1.61 0.24 -0.62 -2.50 118.33 114.16 1n4i n VAL 45 Ca 0.00 -1.25 -0.12 0.00 -2.04 0.00 0.00 64.34 60.92 1n4i n VAL 45 Cb 0.00 0.49 0.04 0.00 -1.47 0.00 0.00 33.84 32.91 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 -0.44 -0.03 -1.96 3.34 -1.04 -1.16 -0.80 114.28 112.19 1n4i n THR 46 Ca -0.01 -2.78 -0.29 0.00 -2.04 0.00 0.00 64.05 58.93 1n4i n THR 46 Cb 0.32 0.75 0.07 0.00 -1.82 0.00 0.00 70.33 69.65 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 -0.92 2.63 0.00 12.58 2.07 -0.17 -2.76 121.20 134.63 1n4i s ILE 47 Ca 0.29 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.66 1n4i s ILE 47 Cb 0.32 -3.19 0.00 0.00 0.13 0.00 0.00 42.46 39.73 1n4i s ILE 47 CO -0.06 -0.24 0.00 0.35 -1.91 0.00 0.00 174.94 173.08 1n4i n THR 48 N -3.12 0.00 -1.20 4.00 -2.24 -1.06 -3.36 114.28 107.30 1n4i n THR 48 Ca 0.07 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.48 1n4i n THR 48 Cb 0.59 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.74 1n4i n THR 48 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1n4i n THR 49 N 0.00 1.08 -4.29 4.28 -1.04 -1.25 -0.16 114.28 112.89 1n4i n THR 49 Ca 0.00 -1.01 -0.19 0.00 -2.04 0.00 0.00 64.05 60.81 1n4i n THR 49 Cb 0.00 -2.16 -0.15 0.00 -1.82 0.00 0.00 70.33 66.20 1n4i n THR 49 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1n4i s SER 50 N 6.33 1.02 0.07 8.00 0.01 -1.26 -2.32 113.70 125.55 1n4i s SER 50 Ca 0.66 -0.15 -0.20 0.00 1.31 0.00 0.00 55.95 57.57 1n4i s SER 50 Cb 0.09 -0.29 -0.07 0.00 0.21 0.00 0.00 66.02 65.96 1n4i s SER 50 CO 0.20 0.04 0.60 -0.89 0.41 0.00 0.00 173.24 173.59 1n4i s THR 51 N 0.28 4.73 -0.20 1.44 2.01 0.73 -3.83 115.64 120.80 1n4i s THR 51 Ca -0.04 1.28 -0.11 0.00 0.31 0.00 0.00 61.69 63.13 1n4i s THR 51 Cb -0.09 -3.93 0.06 0.00 0.01 0.00 0.00 72.50 68.56 1n4i s THR 51 CO 0.00 0.53 0.48 -0.94 -0.69 0.00 0.00 174.62 174.00 1n4i s SER 52 N -0.95 -0.63 -0.30 3.53 1.04 -1.23 0.18 113.70 115.35 1n4i s SER 52 Ca 0.30 1.05 -0.04 0.00 0.48 0.00 0.00 55.95 57.74 1n4i s SER 52 Cb -0.20 0.93 0.03 0.00 0.10 0.00 0.00 66.02 66.88 1n4i s SER 52 CO 0.19 -0.21 0.04 -0.89 0.98 0.00 0.00 173.24 173.36 1n4i s THR 53 N 1.45 3.47 -0.16 2.02 2.01 -0.67 -4.19 115.64 119.57 1n4i s THR 53 Ca -0.10 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 60.85 1n4i s THR 53 Cb -0.07 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.56 1n4i s THR 53 CO -0.15 -0.01 0.01 0.61 -0.69 0.00 0.00 174.62 174.39 1n4i n GLY 54 N 4.75 -2.33 3.49 4.40 0.00 -1.26 0.26 105.19 114.51 1n4i n GLY 54 Ca -0.14 0.30 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.26 -0.78 -0.67 1.61 1.04 -1.26 -1.23 113.70 111.14 1n4i s SER 55 Ca -0.01 1.32 -0.24 0.00 0.48 0.00 0.00 55.95 57.49 1n4i s SER 55 Cb 0.00 1.65 0.06 0.00 0.10 0.00 0.00 66.02 67.82 1n4i s SER 55 CO 0.42 -0.22 1.05 -0.60 0.98 0.00 0.00 173.24 174.87 1n4i s ARG 56 N 2.35 3.16 -0.14 4.02 3.52 -1.26 -4.29 118.95 126.31 1n4i s ARG 56 Ca -0.06 -0.59 0.05 0.00 -0.13 0.00 0.00 55.73 54.99 1n4i s ARG 56 Cb -0.10 -4.19 0.35 0.00 -1.56 0.00 0.00 34.95 29.45 1n4i s ARG 56 CO -0.17 -1.87 1.19 -0.89 -0.81 0.00 0.00 175.30 172.75 1n4i n ILE 57 N 6.09 1.52 -1.13 4.11 5.41 -1.26 -2.44 119.36 131.66 1n4i n ILE 57 Ca -0.01 -0.72 -0.37 0.00 1.00 0.00 0.00 62.75 62.65 1n4i n ILE 57 Cb 0.47 -0.52 0.04 0.00 -0.71 0.00 0.00 39.64 38.92 1n4i n ILE 57 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1n4i n SER 58 N 0.10 -3.78 0.00 4.38 7.64 -1.26 -4.59 113.62 116.11 1n4i n SER 58 Ca 0.18 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1n4i n SER 58 Cb 0.81 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 2.57 3.04 0.25 0.23 0.00 -1.24 -4.67 105.19 105.36 1n4i n GLY 59 Ca 0.05 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.97 1n4i n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n4i h PRO 60 N 0.00 0.00 -0.02 1.61 0.13 -1.83 -3.32 132.00 128.56 1n4i h PRO 60 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 1n4i h PRO 60 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 1n4i h PRO 60 CO 0.00 0.00 -0.34 0.41 -0.23 0.00 0.00 178.00 177.84 1n4i n GLY 61 N 0.35 1.58 3.59 1.56 0.00 -1.25 -4.96 105.19 106.06 1n4i n GLY 61 Ca 0.02 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.35 0.56 0.13 0.00 2.20 -1.25 -2.99 119.74 114.04 1n4i s LYS 63 Ca 0.64 1.16 0.06 0.00 -0.36 0.00 0.00 55.97 57.47 1n4i s LYS 63 Cb -0.22 0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 1n4i s LYS 63 CO 0.61 -0.44 -0.14 0.42 -0.36 0.00 0.00 175.35 175.44 1n4i s ILE 64 N 2.87 1.41 -0.24 5.43 1.01 -1.11 -4.68 121.20 125.88 1n4i s ILE 64 Ca 0.10 -1.79 -0.11 0.00 0.00 0.00 0.00 60.65 58.85 1n4i s ILE 64 Cb -0.14 -1.62 0.09 0.00 0.01 0.00 0.00 42.46 40.80 1n4i s ILE 64 CO -0.20 -0.43 0.56 -0.55 0.00 0.00 0.00 174.94 174.32 1n4i s SER 65 N -2.56 -0.76 -0.51 3.58 0.15 -1.26 -2.56 113.70 109.77 1n4i s SER 65 Ca 0.11 1.28 -0.20 0.00 0.70 0.00 0.00 55.95 57.84 1n4i s SER 65 Cb -0.04 1.42 0.03 0.00 -1.71 0.00 0.00 66.02 65.71 1n4i s SER 65 CO 0.04 -0.22 0.64 0.41 1.20 0.00 0.00 173.24 175.30 1n4i n THR 66 N 4.73 -8.03 -3.69 6.45 -1.04 -0.98 -3.93 114.28 107.80 1n4i n THR 66 Ca -0.17 0.41 -0.22 0.00 -2.04 0.00 0.00 64.05 62.03 1n4i n THR 66 Cb 0.54 -5.68 -0.18 0.00 -1.82 0.00 0.00 70.33 63.19 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 2.12 5.14 0.42 0.00 1.09 -1.24 -0.20 121.20 128.52 1n4i s ILE 68 Ca 0.04 -2.67 -0.04 0.00 -1.10 0.00 0.00 60.65 56.89 1n4i s ILE 68 Cb -0.13 -4.86 -0.04 0.00 -1.06 0.00 0.00 42.46 36.37 1n4i s ILE 68 CO -0.04 -1.56 0.69 -0.63 -0.10 0.00 0.00 174.94 173.30 1n4i s ILE 69 N 1.29 4.98 -0.32 2.92 1.01 0.49 -1.66 121.20 129.91 1n4i s ILE 69 Ca 0.40 -0.00 0.06 0.00 0.00 0.00 0.00 60.65 61.11 1n4i s ILE 69 Cb -0.04 -3.85 0.19 0.00 0.01 0.00 0.00 42.46 38.77 1n4i s ILE 69 CO -0.02 -0.70 0.56 -0.89 0.00 0.00 0.00 174.94 173.90 1n4i s THR 70 N -2.53 -0.92 0.00 2.92 2.01 0.13 -1.66 115.64 115.59 1n4i s THR 70 Ca 0.45 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1n4i s THR 70 Cb -0.10 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1n4i s THR 70 CO 0.40 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1n4i n GLY 71 N 5.18 0.84 0.85 4.40 0.00 0.74 -3.93 105.19 113.27 1n4i n GLY 71 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.27 0.76 3.15 -0.02 0.00 -0.37 -3.69 105.19 102.75 1n4i n GLY 72 Ca 0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 1.60 0.16 1.61 -7.23 -1.25 -4.32 120.40 108.97 1n4i s VAL 73 Ca 0.00 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 59.10 1n4i s VAL 73 Cb 0.00 -1.39 -0.07 0.00 0.56 0.00 0.00 36.38 35.48 1n4i s VAL 73 CO 0.00 0.46 0.90 -2.16 -0.31 0.00 0.00 175.10 173.99 1n4i s PRO 74 N 0.21 4.71 0.40 4.82 0.04 -1.26 -0.70 135.00 143.22 1n4i s PRO 74 Ca -0.10 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.29 1n4i s PRO 74 Cb -0.14 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1n4i s PRO 74 CO 0.04 0.39 0.66 0.00 0.04 0.00 0.00 177.00 178.13 1n4i s ALA 75 N -0.61 3.55 -0.87 8.56 0.00 -0.66 -4.93 121.76 126.79 1n4i s ALA 75 Ca 0.42 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 51.55 1n4i s ALA 75 Cb -0.24 -2.36 -0.11 0.00 0.00 0.00 0.00 23.12 20.41 1n4i s ALA 75 CO 0.29 -0.13 2.02 -0.35 0.00 0.00 0.00 175.76 177.59 1n4i n PRO 76 N -1.87 1.80 -0.00 0.00 -0.04 -1.26 -4.58 135.00 129.05 1n4i n PRO 76 Ca -0.02 -1.77 0.09 0.00 -0.04 0.00 0.00 63.50 61.76 1n4i n PRO 76 Cb 0.55 -2.79 0.51 0.00 -0.04 0.00 0.00 33.50 31.74 1n4i n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1n4i n SER 77 N 6.28 0.09 -2.70 3.54 2.88 -1.26 -4.85 113.62 117.60 1n4i n SER 77 Ca 0.48 -1.47 -0.06 0.00 -1.33 0.00 0.00 58.87 56.50 1n4i n SER 77 Cb 0.31 -0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.76 1n4i n SER 77 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i n ALA 78 N -0.71 -0.99 0.00 -1.46 0.00 -1.26 -4.34 120.51 111.74 1n4i n ALA 78 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1n4i n ALA 78 Cb 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.64 0.78 -0.73 0.00 0.00 -1.26 -5.11 120.51 111.55 1n4i n ALA 79 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 1n4i n ALA 79 Cb 0.51 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.10 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 -1.14 0.49 -3.70 0.00 -0.00 -1.25 -5.01 118.16 107.54 1n4i n LYS 81 Ca 0.00 0.09 -0.23 0.00 -0.00 0.00 0.00 58.31 58.18 1n4i n LYS 81 Cb 0.64 -1.34 0.00 0.00 -0.00 0.00 0.00 35.03 34.33 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 -2.97 -4.40 0.00 0.58 2.08 -1.26 -4.95 119.36 108.43 1n4i n ILE 82 Ca -0.30 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 62.89 1n4i n ILE 82 Cb 0.82 -3.53 0.00 0.00 -0.75 0.00 0.00 39.64 36.18 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 -2.47 0.00 -3.13 4.38 2.88 -1.26 -4.90 113.62 109.12 1n4i n SER 83 Ca -0.25 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.12 1n4i n SER 83 Cb 0.65 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.10 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 3.66 2.78 0.68 0.46 0.00 -1.26 -4.72 105.19 106.78 1n4i n GLY 84 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.11 0.00 -4.12 0.00 5.66 -1.26 -5.06 114.28 109.39 1n4i n THR 86 Ca -0.01 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.84 1n4i n THR 86 Cb 0.11 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.77 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 0.85 -0.12 1.09 0.08 -1.25 -4.00 117.98 112.63 1n4i s PHE 87 Ca 0.00 -0.45 0.18 0.00 0.12 0.00 0.00 56.93 56.78 1n4i s PHE 87 Cb 0.00 -0.50 0.43 0.00 -0.57 0.00 0.00 43.02 42.38 1n4i s PHE 87 CO 0.00 -0.03 1.19 0.45 -0.10 0.00 0.00 175.22 176.73 1n4i n SER 88 N 1.54 1.46 -3.73 1.36 2.88 -1.02 -4.74 113.62 111.37 1n4i n SER 88 Ca -0.21 -2.98 -0.32 0.00 -1.33 0.00 0.00 58.87 54.03 1n4i n SER 88 Cb 0.55 -0.42 0.03 0.00 -0.75 0.00 0.00 64.21 63.62 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 -0.35 -2.59 0.00 -1.46 0.00 -1.24 -4.46 120.51 110.41 1n4i n ALA 89 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1n4i n ALA 89 Cb 0.91 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 17.05 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77