#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 2.41 0.47 0.44 0.00 -1.26 -4.75 105.19 102.50 1n4i n GLY 2 Ca 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 46.02 46.11 1n4i n GLY 2 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n4i h SER 3 N 0.00 -1.24 0.00 1.61 4.64 -1.95 -3.46 113.55 113.15 1n4i h SER 3 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1n4i h SER 3 Cb 0.00 0.39 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1n4i h SER 3 CO 0.00 -0.64 0.00 0.00 -0.87 0.00 0.00 176.83 175.32 1n4i n THR 5 N 0.00 0.00 -3.10 0.00 -1.04 -1.26 -4.96 114.28 103.92 1n4i n THR 5 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1n4i n THR 5 Cb 0.00 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.58 1n4i n THR 5 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1n4i n ASN 6 N 0.00 -4.17 0.00 8.00 4.05 -1.26 0.12 115.26 122.00 1n4i n ASN 6 Ca 0.00 -0.57 0.00 0.00 0.45 0.00 0.00 54.58 54.46 1n4i n ASN 6 Cb 0.00 -4.50 0.00 0.00 1.23 0.00 0.00 39.78 36.51 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1n4i n THR 7 N -3.30 0.00 0.00 -0.44 -1.04 -1.26 -2.60 114.28 105.64 1n4i n THR 7 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1n4i n THR 7 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 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 0.73 0.00 0.00 8.00 4.05 -1.21 -4.89 115.26 121.94 1n4i n ASN 8 Ca 0.00 0.02 0.00 0.00 0.45 0.00 0.00 54.58 55.05 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 -0.07 0.00 -0.33 1.20 3.41 0.33 -4.90 113.62 113.26 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 0.00 -0.16 0.00 0.00 175.04 174.88 1n4i n GLN 10 N 0.00 0.00 -1.72 4.33 6.02 -1.14 -4.96 117.38 119.90 1n4i n GLN 10 Ca 0.00 -0.80 -0.18 0.00 -0.01 0.00 0.00 57.00 56.01 1n4i n GLN 10 Cb 0.00 -0.48 -0.10 0.00 1.02 0.00 0.00 30.24 30.68 1n4i n GLN 10 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1n4i s LEU 11 N 0.00 2.60 0.04 1.08 2.96 -1.26 -3.81 118.68 120.30 1n4i s LEU 11 Ca 0.00 -1.00 -0.19 0.00 -0.22 0.00 0.00 54.13 52.73 1n4i s LEU 11 Cb 0.00 -2.59 -0.10 0.00 0.50 0.00 0.00 46.19 44.00 1n4i s LEU 11 CO 0.00 -4.22 0.45 -1.54 -1.32 0.00 0.00 176.35 169.72 1n4i n SER 12 N 18.20 -0.28 0.19 3.68 3.41 -1.12 -4.58 113.62 133.12 1n4i n SER 12 Ca 0.43 0.61 0.16 0.00 -0.26 0.00 0.00 58.87 59.81 1n4i n SER 12 Cb 0.46 -0.49 0.62 0.00 -0.26 0.00 0.00 64.21 64.53 1n4i n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4i h ALA 13 N 1.15 1.90 0.00 7.33 0.00 -1.88 1.57 119.26 129.33 1n4i h ALA 13 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1n4i h ALA 13 Cb 0.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1n4i h ALA 13 CO 0.33 -0.73 -0.05 -1.71 0.00 0.00 0.00 179.25 177.09 1n4i n ASN 14 N -3.13 0.09 -2.34 0.00 2.85 -1.26 -4.48 115.26 106.99 1n4i n ASN 14 Ca 0.05 0.43 -0.05 0.00 -0.11 0.00 0.00 54.58 54.90 1n4i n ASN 14 Cb 0.71 -0.44 0.03 0.00 1.24 0.00 0.00 39.78 41.32 1n4i n ASN 14 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1n4i n SER 15 N -1.54 -0.06 -4.53 1.20 2.88 0.53 -4.34 113.62 107.76 1n4i n SER 15 Ca 0.07 -1.05 -0.25 0.00 -1.33 0.00 0.00 58.87 56.30 1n4i n SER 15 Cb 0.34 -0.17 -0.10 0.00 -0.75 0.00 0.00 64.21 63.53 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 -3.48 1.79 0.00 -1.46 2.20 -1.16 -4.77 119.74 112.88 1n4i s LYS 16 Ca 0.12 -1.89 0.00 0.00 -0.36 0.00 0.00 55.97 53.84 1n4i s LYS 16 Cb -0.00 -1.73 0.00 0.00 -1.51 0.00 0.00 37.83 34.59 1n4i s LYS 16 CO 0.09 0.19 0.00 0.00 -0.36 0.00 0.00 175.35 175.26 1n4i n GLU 18 N -0.86 0.47 -2.31 0.00 4.07 -1.26 -3.73 120.64 117.01 1n4i n GLU 18 Ca 0.00 0.17 -0.01 0.00 -0.06 0.00 0.00 57.16 57.26 1n4i n GLU 18 Cb 0.12 -1.77 -0.00 0.00 -0.06 0.00 0.00 31.44 29.73 1n4i n GLU 18 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1n4i n LYS 19 N 5.17 -3.40 0.00 5.31 4.81 -1.26 -4.81 118.16 123.97 1n4i n LYS 19 Ca 0.33 2.49 0.00 0.00 -0.87 0.00 0.00 58.31 60.26 1n4i n LYS 19 Cb 0.03 -3.30 0.00 0.00 0.02 0.00 0.00 35.03 31.77 1n4i n LYS 19 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1n4i n SER 20 N 1.93 0.00 -3.44 3.14 3.41 -0.95 -4.30 113.62 113.41 1n4i n SER 20 Ca -0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.29 1n4i n SER 20 Cb 0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.90 1n4i n SER 20 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1n4i s THR 21 N -1.67 0.36 0.26 6.66 -4.23 -1.24 -5.02 115.64 110.76 1n4i s THR 21 Ca 0.00 -2.33 0.04 0.00 -1.18 0.00 0.00 61.69 58.22 1n4i s THR 21 Cb 0.00 -1.26 0.04 0.00 1.34 0.00 0.00 72.50 72.62 1n4i s THR 21 CO 0.00 -1.13 0.33 0.18 -0.54 0.00 0.00 174.62 173.46 1n4i n LEU 22 N 3.29 0.00 -3.59 4.79 4.77 -1.26 -3.88 117.00 121.13 1n4i n LEU 22 Ca 0.22 -1.18 -0.02 0.00 -0.03 0.00 0.00 56.01 55.00 1n4i n LEU 22 Cb 0.43 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1n4i n LEU 22 CO 0.11 -0.56 0.46 -0.89 -1.33 0.00 0.00 177.39 175.18 1n4i s THR 23 N -0.76 -0.39 -0.90 -5.08 2.01 -0.57 -4.52 115.64 105.43 1n4i s THR 23 Ca 0.25 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.18 1n4i s THR 23 Cb -0.02 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 1n4i s THR 23 CO 0.16 0.00 0.71 0.59 -0.69 0.00 0.00 174.62 175.39 1n4i n ASN 24 N 4.63 -6.12 -4.54 3.53 3.02 -1.07 -1.65 115.26 113.05 1n4i n ASN 24 Ca -0.15 -0.66 -0.25 0.00 -0.03 0.00 0.00 54.58 53.49 1n4i n ASN 24 Cb 0.54 -3.63 -0.11 0.00 -0.61 0.00 0.00 39.78 35.97 1n4i n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n4i n TYR 26 N -0.83 0.04 -0.68 0.00 9.36 -0.87 -3.79 117.16 120.40 1n4i n TYR 26 Ca -0.04 -1.15 -0.22 0.00 3.32 0.00 0.00 57.90 59.82 1n4i n TYR 26 Cb 0.67 0.22 0.00 0.00 -0.63 0.00 0.00 39.34 39.60 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 -0.22 0.24 -3.67 2.97 0.31 -1.25 -4.18 118.33 112.53 1n4i n VAL 27 Ca -0.04 -0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 63.92 1n4i n VAL 27 Cb 0.92 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.74 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 -0.53 -0.19 -1.25 4.52 -1.08 -1.05 -2.78 116.67 114.32 1n4i s ASP 28 Ca 0.31 0.85 -0.15 0.00 -0.52 0.00 0.00 52.55 53.04 1n4i s ASP 28 Cb -0.32 0.99 0.00 0.00 -1.46 0.00 0.00 42.92 42.14 1n4i s ASP 28 CO 0.34 -0.22 0.64 0.29 0.52 0.00 0.00 175.17 176.73 1n4i n LYS 29 N 5.01 -1.84 -4.16 4.34 4.76 -1.26 -0.50 118.16 124.51 1n4i n LYS 29 Ca -0.13 0.39 -0.12 0.00 -2.87 0.00 0.00 58.31 55.57 1n4i n LYS 29 Cb 0.51 -4.06 -0.08 0.00 -1.84 0.00 0.00 35.03 29.56 1n4i n LYS 29 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1n4i s SER 30 N -3.81 0.33 0.00 4.39 0.01 -1.26 0.78 113.70 114.14 1n4i s SER 30 Ca 0.30 -1.34 -0.00 0.00 1.31 0.00 0.00 55.95 56.22 1n4i s SER 30 Cb -0.12 0.47 -0.00 0.00 0.21 0.00 0.00 66.02 66.58 1n4i s SER 30 CO 0.89 -0.97 -0.01 1.21 0.41 0.00 0.00 173.24 174.77 1n4i n GLU 31 N -0.36 0.01 -1.10 12.44 2.13 -1.16 -2.96 120.64 129.65 1n4i n GLU 31 Ca 0.02 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1n4i n GLU 31 Cb 0.64 -0.19 0.00 0.00 0.27 0.00 0.00 31.44 32.16 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 -2.64 -3.39 0.04 6.31 0.31 -0.68 -3.79 118.33 114.48 1n4i n VAL 32 Ca -0.00 1.47 0.00 0.00 -0.01 0.00 0.00 64.34 65.80 1n4i n VAL 32 Cb 0.01 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 30.83 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 -1.34 -0.63 -1.39 3.52 4.02 -1.18 -4.82 117.16 115.34 1n4i n TYR 33 Ca 0.00 0.11 0.05 0.00 -0.01 0.00 0.00 57.90 58.05 1n4i n TYR 33 Cb 0.10 0.46 0.07 0.00 -0.02 0.00 0.00 39.34 39.95 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 1.69 2.52 3.77 2.72 0.00 -1.20 -2.25 105.19 112.44 1n4i n GLY 34 Ca 0.00 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.41 3.22 -0.73 2.61 2.01 -0.43 -3.59 115.64 117.33 1n4i s THR 35 Ca 0.15 0.62 0.03 0.00 0.31 0.00 0.00 61.69 62.79 1n4i s THR 35 Cb 0.13 -3.15 0.34 0.00 0.01 0.00 0.00 72.50 69.83 1n4i s THR 35 CO 0.01 -0.31 1.34 0.41 -0.69 0.00 0.00 174.62 175.38 1n4i n THR 36 N -2.12 4.06 -1.20 -0.82 -1.04 -1.12 -3.61 114.28 108.43 1n4i n THR 36 Ca 0.11 -5.56 -0.43 0.00 -2.04 0.00 0.00 64.05 56.13 1n4i n THR 36 Cb 0.52 -1.42 -0.03 0.00 -1.82 0.00 0.00 70.33 67.57 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 0.28 -0.61 -1.92 0.00 -1.04 -1.21 -1.51 114.28 108.28 1n4i n THR 38 Ca 0.16 -3.90 -0.03 0.00 -2.04 0.00 0.00 64.05 58.24 1n4i n THR 38 Cb 0.18 -1.86 0.01 0.00 -1.82 0.00 0.00 70.33 66.84 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 1.95 0.49 3.47 3.41 0.00 -0.49 -3.41 105.19 110.61 1n4i n GLY 39 Ca 0.25 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.11 1.01 0.02 1.61 0.01 -0.95 -4.16 113.70 108.13 1n4i s SER 40 Ca 0.06 -1.52 -0.15 0.00 1.31 0.00 0.00 55.95 55.65 1n4i s SER 40 Cb -0.01 0.65 0.03 0.00 0.21 0.00 0.00 66.02 66.90 1n4i s SER 40 CO 0.13 -1.27 0.34 -0.60 0.41 0.00 0.00 173.24 172.24 1n4i s ARG 41 N -3.09 0.79 0.34 12.44 3.52 -1.26 -2.04 118.95 129.64 1n4i s ARG 41 Ca 0.32 -0.35 0.01 0.00 -0.13 0.00 0.00 55.73 55.58 1n4i s ARG 41 Cb -0.00 0.35 0.01 0.00 -1.56 0.00 0.00 34.95 33.75 1n4i s ARG 41 CO 0.21 -0.24 0.10 1.19 -0.81 0.00 0.00 175.30 175.75 1n4i n PHE 42 N 0.81 0.11 -2.68 5.12 3.72 -1.26 -3.64 117.46 119.65 1n4i n PHE 42 Ca -0.20 -1.57 -0.05 0.00 -0.05 0.00 0.00 57.45 55.59 1n4i n PHE 42 Cb 0.58 -0.24 0.05 0.00 -0.94 0.00 0.00 39.48 38.92 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 -1.47 -1.47 0.00 4.37 -0.08 -0.27 -2.53 116.55 115.10 1n4i n ASP 43 Ca -0.09 -2.03 0.00 0.00 -1.51 0.00 0.00 54.79 51.16 1n4i n ASP 43 Cb 0.41 1.05 0.00 0.00 2.34 0.00 0.00 41.12 44.92 1n4i n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1n4i n GLY 44 N -0.46 0.43 0.00 0.27 0.00 0.23 -3.16 105.19 102.51 1n4i n GLY 44 Ca -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.71 1.61 0.24 0.29 -2.26 118.33 115.50 1n4i n VAL 45 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 1n4i n VAL 45 Cb 0.00 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.48 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 0.00 -1.43 3.34 -1.04 -1.16 -2.98 114.28 111.00 1n4i n THR 46 Ca 0.00 -1.46 -0.29 0.00 -2.04 0.00 0.00 64.05 60.26 1n4i n THR 46 Cb 0.00 1.14 0.14 0.00 -1.82 0.00 0.00 70.33 69.80 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 0.21 2.10 0.00 12.58 2.07 -1.26 -3.35 121.20 133.56 1n4i s ILE 47 Ca 0.21 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.49 1n4i s ILE 47 Cb 0.35 -2.71 0.00 0.00 0.13 0.00 0.00 42.46 40.24 1n4i s ILE 47 CO -0.08 -0.04 0.00 0.35 -1.91 0.00 0.00 174.94 173.26 1n4i n THR 48 N -3.86 0.00 -1.53 4.00 -2.24 -1.13 -1.69 114.28 107.83 1n4i n THR 48 Ca 0.06 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.71 1n4i n THR 48 Cb 0.58 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.00 -3.85 4.28 -1.04 -1.26 -1.31 114.28 111.10 1n4i n THR 49 Ca 0.00 -0.07 -0.12 0.00 -2.04 0.00 0.00 64.05 61.82 1n4i n THR 49 Cb 0.00 -1.83 -0.13 0.00 -1.82 0.00 0.00 70.33 66.54 1n4i n THR 49 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1n4i s SER 50 N 7.98 -0.05 -0.00 8.00 0.15 -1.24 -3.28 113.70 125.25 1n4i s SER 50 Ca 0.76 0.10 -0.26 0.00 0.70 0.00 0.00 55.95 57.24 1n4i s SER 50 Cb -0.05 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.33 1n4i s SER 50 CO 0.17 -0.03 0.83 -0.89 1.20 0.00 0.00 173.24 174.52 1n4i s THR 51 N -0.02 4.87 -0.18 6.45 2.01 0.64 -2.78 115.64 126.63 1n4i s THR 51 Ca -0.01 1.74 -0.09 0.00 0.31 0.00 0.00 61.69 63.64 1n4i s THR 51 Cb -0.01 -4.17 0.06 0.00 0.01 0.00 0.00 72.50 68.40 1n4i s THR 51 CO 0.00 0.25 0.42 -0.55 -0.69 0.00 0.00 174.62 174.06 1n4i s SER 52 N 0.59 -0.49 -0.22 3.53 0.15 -1.18 0.26 113.70 116.34 1n4i s SER 52 Ca 0.43 0.92 -0.00 0.00 0.70 0.00 0.00 55.95 58.00 1n4i s SER 52 Cb -0.20 0.86 0.06 0.00 -1.71 0.00 0.00 66.02 65.03 1n4i s SER 52 CO 0.23 -0.20 -0.03 0.42 1.20 0.00 0.00 173.24 174.86 1n4i s THR 53 N 1.57 1.24 -0.22 6.45 -4.23 -1.17 -3.29 115.64 115.99 1n4i s THR 53 Ca -0.09 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.38 1n4i s THR 53 Cb -0.09 -1.55 0.01 0.00 1.34 0.00 0.00 72.50 72.21 1n4i s THR 53 CO -0.13 -0.10 0.21 0.61 -0.54 0.00 0.00 174.62 174.67 1n4i n GLY 54 N 4.79 -2.12 3.64 3.99 0.00 -1.22 -0.63 105.19 113.63 1n4i n GLY 54 Ca -0.11 0.48 -0.05 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.54 -0.92 -0.61 1.61 1.04 -1.26 -1.62 113.70 110.40 1n4i s SER 55 Ca 0.09 1.43 -0.24 0.00 0.48 0.00 0.00 55.95 57.70 1n4i s SER 55 Cb -0.02 1.55 0.05 0.00 0.10 0.00 0.00 66.02 67.69 1n4i s SER 55 CO 0.45 -0.22 1.01 -0.60 0.98 0.00 0.00 173.24 174.86 1n4i s ARG 56 N 1.86 3.26 -0.00 4.02 3.52 -1.26 -4.25 118.95 126.09 1n4i s ARG 56 Ca -0.09 -0.40 0.06 0.00 -0.13 0.00 0.00 55.73 55.17 1n4i s ARG 56 Cb -0.06 -4.12 0.17 0.00 -1.56 0.00 0.00 34.95 29.38 1n4i s ARG 56 CO -0.19 -1.69 1.11 -0.89 -0.81 0.00 0.00 175.30 172.83 1n4i n ILE 57 N 6.17 0.29 -1.09 4.11 2.08 -1.24 -2.82 119.36 126.86 1n4i n ILE 57 Ca 0.01 -0.26 -0.36 0.00 0.56 0.00 0.00 62.75 62.69 1n4i n ILE 57 Cb 0.47 0.08 -0.02 0.00 -0.75 0.00 0.00 39.64 39.43 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 0.06 -1.53 0.00 4.38 7.64 -1.26 -4.56 113.62 118.34 1n4i n SER 58 Ca 0.06 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1n4i n SER 58 Cb 0.19 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 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 1.71 1.49 0.00 0.23 0.00 -1.19 -4.70 105.19 102.74 1n4i n GLY 59 Ca 0.12 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.16 0.14 -1.73 1.61 -0.04 -1.26 -3.76 135.00 129.81 1n4i n PRO 60 Ca 0.00 0.07 -0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1n4i n PRO 60 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.96 -0.16 3.55 0.55 0.00 -1.24 -5.00 105.19 103.84 1n4i n GLY 61 Ca 0.08 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.06 0.56 0.32 0.00 2.20 -1.21 -2.99 119.74 114.55 1n4i s LYS 63 Ca 0.63 0.42 0.10 0.00 -0.36 0.00 0.00 55.97 56.76 1n4i s LYS 63 Cb -0.23 0.22 -0.06 0.00 -1.51 0.00 0.00 37.83 36.25 1n4i s LYS 63 CO 0.62 -1.01 -0.07 0.42 -0.36 0.00 0.00 175.35 174.95 1n4i s ILE 64 N 2.71 2.55 0.00 5.43 1.01 -1.21 -4.65 121.20 127.04 1n4i s ILE 64 Ca 0.12 -2.13 0.00 0.00 0.00 0.00 0.00 60.65 58.64 1n4i s ILE 64 Cb -0.09 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.73 1n4i s ILE 64 CO -0.23 -0.26 0.00 -1.54 0.00 0.00 0.00 174.94 172.91 1n4i n SER 65 N -0.83 0.00 -2.86 3.58 3.41 -1.26 -2.84 113.62 112.82 1n4i n SER 65 Ca -0.05 -0.33 -0.08 0.00 -0.26 0.00 0.00 58.87 58.14 1n4i n SER 65 Cb 0.62 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.48 1n4i n SER 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1n4i n THR 66 N 0.00 0.00 -3.98 6.66 -1.04 -1.21 -4.34 114.28 110.37 1n4i n THR 66 Ca 0.00 -0.33 -0.14 0.00 -2.04 0.00 0.00 64.05 61.54 1n4i n THR 66 Cb 0.00 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 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 0.00 5.65 0.31 0.00 1.09 -1.26 -0.26 121.20 126.73 1n4i s ILE 68 Ca 0.00 -2.97 -0.07 0.00 -1.10 0.00 0.00 60.65 56.52 1n4i s ILE 68 Cb -0.01 -4.65 -0.06 0.00 -1.06 0.00 0.00 42.46 36.68 1n4i s ILE 68 CO -0.00 -1.27 0.60 -0.63 -0.10 0.00 0.00 174.94 173.54 1n4i s ILE 69 N -0.16 4.96 -0.30 2.92 1.01 0.71 -1.35 121.20 128.99 1n4i s ILE 69 Ca 0.31 0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.22 1n4i s ILE 69 Cb -0.08 -3.72 0.20 0.00 0.01 0.00 0.00 42.46 38.86 1n4i s ILE 69 CO -0.07 -0.33 0.66 -0.89 0.00 0.00 0.00 174.94 174.30 1n4i s THR 70 N -2.11 -0.90 0.00 2.92 2.01 0.60 -3.05 115.64 115.11 1n4i s THR 70 Ca 0.46 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.46 1n4i s THR 70 Cb -0.11 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1n4i s THR 70 CO 0.29 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1n4i n GLY 71 N 5.25 0.99 2.39 4.40 0.00 0.20 -4.01 105.19 114.41 1n4i n GLY 71 Ca 0.06 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.14 0.83 3.00 -0.02 0.00 -0.64 -4.36 105.19 103.87 1n4i n GLY 72 Ca 0.00 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.65 1.08 0.00 1.61 -7.23 -1.26 -4.50 120.40 107.46 1n4i s VAL 73 Ca 0.00 -0.44 -0.26 0.00 -1.81 0.00 0.00 61.98 59.47 1n4i s VAL 73 Cb 0.00 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1n4i s VAL 73 CO 0.00 0.35 0.82 -2.16 -0.31 0.00 0.00 175.10 173.80 1n4i s PRO 74 N 0.76 4.52 0.46 4.82 0.04 -1.26 -0.29 135.00 144.04 1n4i s PRO 74 Ca -0.13 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 61.85 1n4i s PRO 74 Cb -0.15 -3.42 -0.10 0.00 0.04 0.00 0.00 34.50 30.87 1n4i s PRO 74 CO 0.03 0.12 0.97 0.00 0.04 0.00 0.00 177.00 178.16 1n4i s ALA 75 N 0.51 3.01 -0.73 8.56 0.00 -0.46 -4.90 121.76 127.75 1n4i s ALA 75 Ca 0.43 0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 1n4i s ALA 75 Cb -0.20 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1n4i s ALA 75 CO 0.23 -0.03 2.06 -0.35 0.00 0.00 0.00 175.76 177.68 1n4i n PRO 76 N -0.88 1.82 -3.32 0.00 -0.04 -1.26 -4.60 135.00 126.72 1n4i n PRO 76 Ca 0.07 -1.26 -0.32 0.00 -0.04 0.00 0.00 63.50 61.95 1n4i n PRO 76 Cb 0.54 -2.32 -0.05 0.00 -0.04 0.00 0.00 33.50 31.62 1n4i n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1n4i s SER 77 N 3.35 6.65 0.06 3.54 0.15 -1.26 -4.94 113.70 121.24 1n4i s SER 77 Ca 0.37 1.01 0.13 0.00 0.70 0.00 0.00 55.95 58.15 1n4i s SER 77 Cb 0.11 -2.26 0.57 0.00 -1.71 0.00 0.00 66.02 62.72 1n4i s SER 77 CO -0.03 -0.13 1.41 0.00 1.20 0.00 0.00 173.24 175.70 1n4i n ALA 78 N -0.29 1.48 -0.04 5.45 0.00 -1.26 -3.01 120.51 122.84 1n4i n ALA 78 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 1n4i n ALA 78 Cb 0.53 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.56 1.81 -1.50 0.00 0.00 -1.26 -5.02 120.51 112.98 1n4i n ALA 79 Ca 0.02 -0.48 -0.49 0.00 0.00 0.00 0.00 53.44 52.49 1n4i n ALA 79 Cb 0.13 0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 1n4i n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4i s LYS 81 N -0.81 2.46 -0.49 0.00 0.00 -1.26 -4.86 119.74 114.79 1n4i s LYS 81 Ca 0.69 -1.48 0.05 0.00 0.00 0.00 0.00 55.97 55.24 1n4i s LYS 81 Cb -0.90 -2.25 0.22 0.00 0.00 0.00 0.00 37.83 34.89 1n4i s LYS 81 CO 0.56 0.12 0.84 -0.89 0.00 0.00 0.00 175.35 175.98 1n4i n ILE 82 N -1.20 0.00 0.00 3.79 -0.00 -1.26 -4.81 119.36 115.88 1n4i n ILE 82 Ca -0.03 -1.16 0.00 0.00 -0.00 0.00 0.00 62.75 61.56 1n4i n ILE 82 Cb 0.61 1.20 0.00 0.00 -0.00 0.00 0.00 39.64 41.45 1n4i n ILE 82 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1n4i n SER 83 N 2.29 0.00 -3.70 4.38 7.64 -1.26 -4.90 113.62 118.06 1n4i n SER 83 Ca 0.13 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.62 1n4i n SER 83 Cb 0.60 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1n4i n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n4i n GLY 84 N 3.93 5.48 2.10 0.23 0.00 -1.26 -4.98 105.19 110.70 1n4i n GLY 84 Ca 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 46.02 43.31 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 -0.33 0.00 -4.36 0.00 5.66 -1.26 -5.06 114.28 108.93 1n4i n THR 86 Ca -0.04 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.72 1n4i n THR 86 Cb 0.33 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.99 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 1.99 -0.11 1.09 0.08 -1.26 -4.33 117.98 113.44 1n4i s PHE 87 Ca 0.00 -0.42 0.21 0.00 0.12 0.00 0.00 56.93 56.84 1n4i s PHE 87 Cb 0.00 -1.00 0.45 0.00 -0.57 0.00 0.00 43.02 41.90 1n4i s PHE 87 CO 0.00 0.38 1.17 0.43 -0.10 0.00 0.00 175.22 177.10 1n4i n SER 88 N 0.36 1.51 -3.59 1.36 7.64 -1.13 -4.83 113.62 114.94 1n4i n SER 88 Ca -0.14 -2.47 -0.25 0.00 1.01 0.00 0.00 58.87 57.02 1n4i n SER 88 Cb 0.56 -0.38 0.01 0.00 -1.01 0.00 0.00 64.21 63.39 1n4i n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i n ALA 89 N -0.10 -2.53 0.74 -0.43 0.00 -1.26 -4.45 120.51 112.48 1n4i n ALA 89 Ca 0.11 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.47 1n4i n ALA 89 Cb 0.98 -0.89 0.35 0.00 0.00 0.00 0.00 19.45 19.90 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77