#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 -1.89 3.59 6.12 0.00 -1.26 -5.00 105.19 106.75 1n4i n GLY 2 Ca 0.00 0.86 -0.27 0.00 0.00 0.00 0.00 46.02 46.61 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 -5.67 0.03 1.61 7.64 -1.26 -4.90 113.62 111.08 1n4i n SER 3 Ca 0.00 -0.92 0.11 0.00 1.01 0.00 0.00 58.87 59.07 1n4i n SER 3 Cb 0.00 -3.69 -0.09 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 -2.34 0.00 0.00 0.00 -1.04 -1.26 -4.12 114.28 105.52 1n4i n THR 5 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1n4i n THR 5 Cb 0.54 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 -0.56 0.00 0.00 8.00 2.85 -1.22 -2.29 115.26 122.04 1n4i n ASN 6 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1n4i n ASN 6 Cb 0.28 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.30 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1n4i n THR 7 N 0.00 0.00 0.00 -0.44 -1.04 -1.26 -4.75 114.28 106.79 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 -1.19 0.00 0.00 8.00 2.85 -0.97 -4.88 115.26 119.07 1n4i n ASN 8 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1n4i n ASN 8 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1n4i n ASN 8 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1n4i n SER 9 N 0.00 0.00 -3.45 1.20 2.88 -1.07 -4.82 113.62 108.36 1n4i n SER 9 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1n4i n SER 9 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 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 -0.68 1.11 -0.32 -1.46 -0.21 0.39 -4.92 119.66 113.58 1n4i s GLN 10 Ca 0.00 -0.72 -0.10 0.00 0.02 0.00 0.00 55.36 54.56 1n4i s GLN 10 Cb 0.00 0.31 0.19 0.00 1.00 0.00 0.00 33.01 34.50 1n4i s GLN 10 CO 0.00 -0.52 1.06 -1.17 -2.12 0.00 0.00 175.29 172.53 1n4i s LEU 11 N -3.53 -0.31 0.12 2.90 2.96 -0.56 -3.41 118.68 116.84 1n4i s LEU 11 Ca 0.24 -0.15 -0.26 0.00 -0.22 0.00 0.00 54.13 53.74 1n4i s LEU 11 Cb -0.02 0.42 -0.15 0.00 0.50 0.00 0.00 46.19 46.94 1n4i s LEU 11 CO 0.04 -0.03 0.56 -0.24 -1.32 0.00 0.00 176.35 175.36 1n4i n SER 12 N 3.74 -0.73 0.25 3.68 2.88 -0.50 -4.68 113.62 118.26 1n4i n SER 12 Ca 0.06 0.94 0.11 0.00 -1.33 0.00 0.00 58.87 58.65 1n4i n SER 12 Cb 0.63 -0.78 0.61 0.00 -0.75 0.00 0.00 64.21 63.93 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 1.31 1.23 -0.00 -1.46 0.00 -1.94 0.65 119.26 119.06 1n4i h ALA 13 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1n4i h ALA 13 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1n4i h ALA 13 CO 0.49 -0.23 -0.39 -1.71 0.00 0.00 0.00 179.25 177.41 1n4i n ASN 14 N -2.48 0.85 -3.27 0.00 5.15 -1.26 -4.73 115.26 109.53 1n4i n ASN 14 Ca -0.01 -0.67 0.00 0.00 -0.60 0.00 0.00 54.58 53.30 1n4i n ASN 14 Cb 0.31 0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 1n4i n ASN 14 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1n4i n SER 15 N -0.99 0.00 -3.69 1.20 2.88 0.23 -3.90 113.62 109.34 1n4i n SER 15 Ca 0.09 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.51 1n4i n SER 15 Cb 0.35 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.00 0.25 -0.22 -1.46 2.20 -1.25 -4.22 119.74 115.03 1n4i s LYS 16 Ca 0.00 0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 56.28 1n4i s LYS 16 Cb 0.00 -0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 36.29 1n4i s LYS 16 CO 0.00 -0.21 -0.01 0.00 -0.36 0.00 0.00 175.35 174.78 1n4i s GLU 18 N 1.44 0.35 0.69 0.00 2.12 -1.26 -4.64 118.70 117.41 1n4i s GLU 18 Ca 0.05 0.75 0.00 0.00 0.36 0.00 0.00 54.97 56.13 1n4i s GLU 18 Cb -0.15 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.68 1n4i s GLU 18 CO -0.01 -0.25 0.00 1.63 -0.54 0.00 0.00 175.26 176.09 1n4i n LYS 19 N 5.27 0.00 -1.46 4.30 5.02 -1.26 -4.86 118.16 125.17 1n4i n LYS 19 Ca -0.07 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.40 1n4i n LYS 19 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.43 1n4i n LYS 19 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1n4i n SER 20 N 2.19 -7.93 -1.99 4.39 2.88 -1.17 -4.49 113.62 107.49 1n4i n SER 20 Ca 0.00 1.49 -0.04 0.00 -1.33 0.00 0.00 58.87 58.99 1n4i n SER 20 Cb 0.00 -5.04 0.32 0.00 -0.75 0.00 0.00 64.21 58.75 1n4i n SER 20 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1n4i n THR 21 N -4.37 2.92 -1.36 2.46 -2.24 -0.94 -4.96 114.28 105.79 1n4i n THR 21 Ca -0.10 -1.62 -0.37 0.00 -2.27 0.00 0.00 64.05 59.70 1n4i n THR 21 Cb 0.70 -0.35 0.06 0.00 -2.10 0.00 0.00 70.33 68.64 1n4i n THR 21 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1n4i n LEU 22 N -0.04 1.38 -3.64 3.22 7.94 -0.50 -3.80 117.00 121.56 1n4i n LEU 22 Ca 0.39 0.66 -0.08 0.00 -1.11 0.00 0.00 56.01 55.87 1n4i n LEU 22 Cb 1.37 -1.24 -0.07 0.00 0.53 0.00 0.00 43.42 44.01 1n4i n LEU 22 CO 0.42 -2.87 0.56 -0.89 -1.11 0.00 0.00 177.39 173.51 1n4i s THR 23 N -1.81 0.00 -1.01 1.96 2.01 0.69 -4.71 115.64 112.77 1n4i s THR 23 Ca 0.68 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.55 1n4i s THR 23 Cb -0.38 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 1n4i s THR 23 CO 0.55 0.00 0.75 0.59 -0.69 0.00 0.00 174.62 175.82 1n4i n ASN 24 N 3.27 -5.76 -4.30 3.53 4.13 -1.26 -2.07 115.26 112.80 1n4i n ASN 24 Ca -0.16 -0.83 -0.16 0.00 1.68 0.00 0.00 54.58 55.11 1n4i n ASN 24 Cb 0.57 -3.50 -0.10 0.00 -1.54 0.00 0.00 39.78 35.21 1n4i n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1n4i n TYR 26 N -0.35 0.00 -1.56 0.00 4.02 -1.18 0.15 117.16 118.25 1n4i n TYR 26 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1n4i n TYR 26 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 1n4i n TYR 26 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1n4i n VAL 27 N -2.43 -4.06 -3.55 -0.72 0.31 -1.26 -1.40 118.33 105.21 1n4i n VAL 27 Ca 0.00 1.88 -0.18 0.00 -0.01 0.00 0.00 64.34 66.03 1n4i n VAL 27 Cb 0.46 -2.64 -0.14 0.00 -0.91 0.00 0.00 33.84 30.62 1n4i n VAL 27 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1n4i s ASP 28 N -3.69 1.18 -1.14 4.52 1.01 -1.08 -1.74 116.67 115.72 1n4i s ASP 28 Ca 0.00 -0.04 -0.10 0.00 0.71 0.00 0.00 52.55 53.12 1n4i s ASP 28 Cb 0.00 0.38 -0.03 0.00 1.01 0.00 0.00 42.92 44.28 1n4i s ASP 28 CO 0.00 -0.30 0.83 0.29 0.21 0.00 0.00 175.17 176.20 1n4i n LYS 29 N 5.32 -2.56 0.00 8.23 5.02 -1.26 0.11 118.16 133.02 1n4i n LYS 29 Ca -0.05 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1n4i n LYS 29 Cb 0.50 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.47 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 -2.97 0.39 0.16 4.39 7.64 -1.25 -0.91 113.62 121.07 1n4i n SER 30 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1n4i n SER 30 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1n4i n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1n4i n GLU 31 N 0.00 0.00 -1.35 1.43 1.02 -1.25 -3.92 120.64 116.57 1n4i n GLU 31 Ca 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.31 1n4i n GLU 31 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1n4i n GLU 31 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1n4i n VAL 32 N -3.24 -0.64 0.00 2.62 0.31 -1.07 -3.82 118.33 112.49 1n4i n VAL 32 Ca 0.00 0.77 0.00 0.00 -0.01 0.00 0.00 64.34 65.10 1n4i n VAL 32 Cb 0.00 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 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 -4.19 -1.35 -1.84 3.52 4.01 -1.22 -4.87 117.16 111.22 1n4i n TYR 33 Ca -0.07 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.70 1n4i n TYR 33 Cb 0.64 0.35 0.04 0.00 -0.31 0.00 0.00 39.34 40.05 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 -0.85 1.73 3.78 2.72 0.00 -1.25 -3.05 105.19 108.27 1n4i n GLY 34 Ca 0.00 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.77 3.68 -0.93 2.61 2.01 -1.17 -2.95 115.64 118.11 1n4i s THR 35 Ca 0.13 1.25 -0.01 0.00 0.31 0.00 0.00 61.69 63.37 1n4i s THR 35 Cb 0.12 -3.63 0.29 0.00 0.01 0.00 0.00 72.50 69.29 1n4i s THR 35 CO -0.02 -0.03 1.23 0.41 -0.69 0.00 0.00 174.62 175.53 1n4i n THR 36 N -0.21 4.34 -1.66 -0.82 -1.04 -0.95 -1.41 114.28 112.53 1n4i n THR 36 Ca 0.06 -5.69 -0.43 0.00 -2.04 0.00 0.00 64.05 55.95 1n4i n THR 36 Cb 0.50 -2.09 -0.03 0.00 -1.82 0.00 0.00 70.33 66.89 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 6.96 5.20 -0.67 0.00 -1.04 -1.25 -0.23 114.28 123.25 1n4i n THR 38 Ca 0.26 -5.87 0.00 0.00 -2.04 0.00 0.00 64.05 56.40 1n4i n THR 38 Cb 0.44 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 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 -0.09 0.28 3.67 3.41 0.00 -0.88 -4.72 105.19 106.86 1n4i n GLY 39 Ca 0.42 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.74 -0.04 0.04 1.61 0.01 -0.88 -4.63 113.70 108.07 1n4i s SER 40 Ca 0.00 -0.92 -0.02 0.00 1.31 0.00 0.00 55.95 56.32 1n4i s SER 40 Cb 0.00 0.66 -0.02 0.00 0.21 0.00 0.00 66.02 66.86 1n4i s SER 40 CO 0.00 -1.26 0.01 0.00 0.41 0.00 0.00 173.24 172.40 1n4i s ARG 41 N -3.75 0.49 0.21 12.44 1.70 -1.26 -3.08 118.95 125.71 1n4i s ARG 41 Ca 0.20 -0.86 0.00 0.00 -0.47 0.00 0.00 55.73 54.60 1n4i s ARG 41 Cb -0.02 0.18 0.00 0.00 -0.57 0.00 0.00 34.95 34.54 1n4i s ARG 41 CO 0.10 -0.10 0.03 1.19 -1.08 0.00 0.00 175.30 175.44 1n4i n PHE 42 N 0.85 0.23 -2.71 5.89 3.72 -1.26 -3.68 117.46 120.49 1n4i n PHE 42 Ca -0.19 -1.03 -0.03 0.00 -0.05 0.00 0.00 57.45 56.15 1n4i n PHE 42 Cb 0.58 -0.15 0.03 0.00 -0.94 0.00 0.00 39.48 39.00 1n4i n PHE 42 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1n4i s ASP 43 N -2.19 -0.50 0.00 4.37 2.15 -1.12 -2.64 116.67 116.74 1n4i s ASP 43 Ca 0.02 -0.55 0.00 0.00 0.43 0.00 0.00 52.55 52.45 1n4i s ASP 43 Cb -0.00 0.65 0.00 0.00 -0.30 0.00 0.00 42.92 43.27 1n4i s ASP 43 CO 0.01 -0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 1n4i n GLY 44 N 2.82 0.65 1.06 2.66 0.00 0.31 -0.40 105.19 112.29 1n4i n GLY 44 Ca 0.12 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.93 0.00 -2.72 1.61 0.24 -0.70 -0.20 118.33 115.63 1n4i n VAL 45 Ca 0.00 -0.74 -0.08 0.00 -2.04 0.00 0.00 64.34 61.47 1n4i n VAL 45 Cb 0.38 0.25 0.10 0.00 -1.47 0.00 0.00 33.84 33.10 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 -0.30 0.00 -1.96 3.34 -1.04 0.48 -3.80 114.28 110.99 1n4i n THR 46 Ca -0.03 -1.48 -0.29 0.00 -2.04 0.00 0.00 64.05 60.22 1n4i n THR 46 Cb 0.19 1.32 0.07 0.00 -1.82 0.00 0.00 70.33 70.10 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 0.24 2.55 0.00 12.58 2.07 -1.26 -3.09 121.20 134.29 1n4i s ILE 47 Ca 0.22 0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.56 1n4i s ILE 47 Cb 0.32 -3.16 0.00 0.00 0.13 0.00 0.00 42.46 39.75 1n4i s ILE 47 CO -0.07 -0.21 0.00 0.35 -1.91 0.00 0.00 174.94 173.11 1n4i n THR 48 N -3.14 0.00 -1.39 4.00 -2.24 -0.86 -2.60 114.28 108.04 1n4i n THR 48 Ca 0.07 0.00 -0.52 0.00 -2.27 0.00 0.00 64.05 61.34 1n4i n THR 48 Cb 0.60 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.09 -3.63 4.28 -1.04 -1.26 -3.07 114.28 109.65 1n4i n THR 49 Ca 0.00 -0.18 -0.12 0.00 -2.04 0.00 0.00 64.05 61.71 1n4i n THR 49 Cb 0.00 -1.22 -0.07 0.00 -1.82 0.00 0.00 70.33 67.22 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 7.39 -0.59 -0.25 8.00 0.01 -1.15 0.04 113.70 127.15 1n4i s SER 50 Ca 1.15 1.11 -0.10 0.00 1.31 0.00 0.00 55.95 59.43 1n4i s SER 50 Cb -1.07 1.12 -0.05 0.00 0.21 0.00 0.00 66.02 66.24 1n4i s SER 50 CO 0.53 -0.22 0.15 -0.89 0.41 0.00 0.00 173.24 173.22 1n4i s THR 51 N 0.21 5.17 -0.04 1.44 2.01 -1.18 -2.24 115.64 121.02 1n4i s THR 51 Ca 0.01 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1n4i s THR 51 Cb -0.05 -3.42 0.02 0.00 0.01 0.00 0.00 72.50 69.07 1n4i s THR 51 CO -0.02 0.33 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.77 1n4i s SER 52 N 1.28 0.68 -0.44 3.53 0.01 -1.23 0.31 113.70 117.83 1n4i s SER 52 Ca 0.07 -0.08 -0.06 0.00 1.31 0.00 0.00 55.95 57.19 1n4i s SER 52 Cb -0.14 -0.33 0.11 0.00 0.21 0.00 0.00 66.02 65.87 1n4i s SER 52 CO 0.06 -0.08 0.28 -0.89 0.41 0.00 0.00 173.24 173.03 1n4i s THR 53 N 0.96 3.81 -0.28 1.44 2.01 -0.34 -4.28 115.64 118.95 1n4i s THR 53 Ca -0.11 -1.89 -0.10 0.00 0.31 0.00 0.00 61.69 59.90 1n4i s THR 53 Cb -0.14 -3.54 0.01 0.00 0.01 0.00 0.00 72.50 68.84 1n4i s THR 53 CO -0.01 -0.73 0.39 0.61 -0.69 0.00 0.00 174.62 174.19 1n4i n GLY 54 N 4.77 -1.16 3.03 4.40 0.00 -1.26 0.13 105.19 115.11 1n4i n GLY 54 Ca -0.05 0.78 -0.09 0.00 0.00 0.00 0.00 46.02 46.66 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 -2.04 0.08 -0.36 1.61 1.04 -1.26 -1.71 113.70 111.07 1n4i s SER 55 Ca 0.16 0.49 -0.29 0.00 0.48 0.00 0.00 55.95 56.80 1n4i s SER 55 Cb -0.05 1.17 -0.00 0.00 0.10 0.00 0.00 66.02 67.24 1n4i s SER 55 CO 0.51 -0.27 1.49 -0.60 0.98 0.00 0.00 173.24 175.34 1n4i s ARG 56 N 2.56 3.61 0.00 4.02 3.52 0.71 -4.41 118.95 128.96 1n4i s ARG 56 Ca 0.08 1.16 0.15 0.00 -0.13 0.00 0.00 55.73 56.98 1n4i s ARG 56 Cb -0.14 -4.04 0.53 0.00 -1.56 0.00 0.00 34.95 29.75 1n4i s ARG 56 CO -0.14 -1.52 1.40 -0.89 -0.81 0.00 0.00 175.30 173.34 1n4i n ILE 57 N 6.93 0.30 -1.48 4.11 2.08 -1.24 -3.20 119.36 126.86 1n4i n ILE 57 Ca 0.18 -0.36 -0.45 0.00 0.56 0.00 0.00 62.75 62.67 1n4i n ILE 57 Cb 0.47 0.25 -0.02 0.00 -0.75 0.00 0.00 39.64 39.59 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 0.30 -0.28 0.00 4.38 7.64 -1.26 -4.44 113.62 119.96 1n4i n SER 58 Ca 0.13 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1n4i n SER 58 Cb 0.28 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 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 1.68 1.43 2.25 0.23 0.00 0.47 -4.62 105.19 106.62 1n4i n GLY 59 Ca 0.13 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.43 3.24 0.00 1.61 -0.04 -1.25 -3.93 135.00 134.20 1n4i n PRO 60 Ca 0.00 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1n4i n PRO 60 Cb 0.00 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 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 2.95 1.54 2.96 0.55 0.00 0.72 -5.02 105.19 108.89 1n4i n GLY 61 Ca 0.66 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 46.13 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 4.22 3.64 0.06 0.00 2.20 -1.19 0.18 119.74 128.85 1n4i s LYS 63 Ca 0.99 -0.49 0.04 0.00 -0.36 0.00 0.00 55.97 56.15 1n4i s LYS 63 Cb -1.29 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 31.79 1n4i s LYS 63 CO 0.62 -0.09 -0.13 0.42 -0.36 0.00 0.00 175.35 175.81 1n4i s ILE 64 N 1.32 1.00 -0.14 5.43 1.09 -1.18 -4.66 121.20 124.05 1n4i s ILE 64 Ca 0.05 -1.15 -0.05 0.00 -1.10 0.00 0.00 60.65 58.39 1n4i s ILE 64 Cb -0.15 -0.96 0.07 0.00 -1.06 0.00 0.00 42.46 40.37 1n4i s ILE 64 CO 0.02 -0.18 0.30 -0.94 -0.10 0.00 0.00 174.94 174.04 1n4i s SER 65 N -1.50 0.17 -1.22 3.58 1.04 -1.26 -2.03 113.70 112.48 1n4i s SER 65 Ca -0.02 0.68 -0.18 0.00 0.48 0.00 0.00 55.95 56.91 1n4i s SER 65 Cb -0.09 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1n4i s SER 65 CO 0.02 -0.23 0.68 0.41 0.98 0.00 0.00 173.24 175.09 1n4i n THR 66 N 5.28 -4.68 -3.92 2.02 -1.04 0.11 -2.25 114.28 109.80 1n4i n THR 66 Ca -0.08 -0.79 -0.34 0.00 -2.04 0.00 0.00 64.05 60.79 1n4i n THR 66 Cb 0.50 -3.60 -0.14 0.00 -1.82 0.00 0.00 70.33 65.27 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 1.16 3.67 0.23 0.00 1.09 -1.25 -3.11 121.20 122.99 1n4i s ILE 68 Ca -0.01 -0.07 0.06 0.00 -1.10 0.00 0.00 60.65 59.53 1n4i s ILE 68 Cb -0.20 -4.66 -0.03 0.00 -1.06 0.00 0.00 42.46 36.51 1n4i s ILE 68 CO -0.03 -1.58 0.24 -0.63 -0.10 0.00 0.00 174.94 172.83 1n4i s ILE 69 N 6.73 4.73 -0.31 2.92 1.01 0.90 0.05 121.20 137.23 1n4i s ILE 69 Ca 0.49 -1.20 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1n4i s ILE 69 Cb -0.06 -3.53 0.19 0.00 0.01 0.00 0.00 42.46 39.07 1n4i s ILE 69 CO 0.07 -0.30 0.58 -0.89 0.00 0.00 0.00 174.94 174.40 1n4i s THR 70 N -2.02 -0.96 0.00 2.92 2.01 -0.22 -1.20 115.64 116.17 1n4i s THR 70 Ca 0.33 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1n4i s THR 70 Cb -0.09 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.58 1n4i s THR 70 CO 0.26 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 1n4i n GLY 71 N 5.25 1.06 1.66 4.40 0.00 0.35 -3.92 105.19 113.99 1n4i n GLY 71 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.84 0.53 3.16 -0.02 0.00 -0.69 -4.31 105.19 102.01 1n4i n GLY 72 Ca 0.00 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 2.02 0.42 1.61 -7.23 -1.25 -4.17 120.40 109.79 1n4i s VAL 73 Ca 0.00 -0.95 -0.23 0.00 -1.81 0.00 0.00 61.98 58.99 1n4i s VAL 73 Cb 0.00 -1.80 -0.09 0.00 0.56 0.00 0.00 36.38 35.05 1n4i s VAL 73 CO 0.00 0.54 1.02 -2.16 -0.31 0.00 0.00 175.10 174.19 1n4i s PRO 74 N 0.88 4.13 0.11 4.82 0.04 -1.26 -1.06 135.00 142.66 1n4i s PRO 74 Ca -0.06 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 1n4i s PRO 74 Cb -0.15 -2.40 -0.06 0.00 0.04 0.00 0.00 34.50 31.93 1n4i s PRO 74 CO -0.03 -0.15 0.46 0.00 0.04 0.00 0.00 177.00 177.32 1n4i s ALA 75 N -1.82 3.66 -0.93 8.56 0.00 0.11 -4.90 121.76 126.44 1n4i s ALA 75 Ca 0.60 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 1n4i s ALA 75 Cb -0.18 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 1n4i s ALA 75 CO 0.23 0.52 2.12 -0.35 0.00 0.00 0.00 175.76 178.28 1n4i n PRO 76 N 0.88 2.11 -2.06 0.00 -0.04 -1.26 -4.56 135.00 130.07 1n4i n PRO 76 Ca -0.07 -1.49 -0.30 0.00 -0.04 0.00 0.00 63.50 61.61 1n4i n PRO 76 Cb 0.52 -2.48 0.02 0.00 -0.04 0.00 0.00 33.50 31.52 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 3.43 5.97 0.38 3.54 0.01 -1.26 -4.96 113.70 120.81 1n4i s SER 77 Ca 0.41 1.19 0.26 0.00 1.31 0.00 0.00 55.95 59.11 1n4i s SER 77 Cb 0.10 -2.22 0.70 0.00 0.21 0.00 0.00 66.02 64.82 1n4i s SER 77 CO -0.03 -0.96 1.73 0.00 0.41 0.00 0.00 173.24 174.39 1n4i h ALA 78 N -0.30 1.00 0.00 1.44 0.00 -1.90 -3.30 119.26 116.20 1n4i h ALA 78 Ca -0.45 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1n4i h ALA 78 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1n4i h ALA 78 CO 0.62 0.00 -1.65 0.00 0.00 0.00 0.00 179.25 178.22 1n4i n ALA 79 N -1.99 2.04 -1.60 0.00 0.00 -1.26 -4.99 120.51 112.71 1n4i n ALA 79 Ca 0.04 -0.53 -0.54 0.00 0.00 0.00 0.00 53.44 52.42 1n4i n ALA 79 Cb 0.44 -0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 0.93 3.30 -0.40 0.00 0.00 -0.95 -4.85 119.74 117.77 1n4i s LYS 81 Ca 0.87 -0.16 0.08 0.00 0.00 0.00 0.00 55.97 56.77 1n4i s LYS 81 Cb -1.00 -2.48 0.27 0.00 0.00 0.00 0.00 37.83 34.61 1n4i s LYS 81 CO 0.51 -0.21 0.63 -0.89 0.00 0.00 0.00 175.35 175.39 1n4i n ILE 82 N -2.14 -0.48 -3.46 3.79 2.08 -1.26 -4.78 119.36 113.11 1n4i n ILE 82 Ca -0.00 -3.63 -0.17 0.00 0.56 0.00 0.00 62.75 59.51 1n4i n ILE 82 Cb 0.56 -1.03 -0.12 0.00 -0.75 0.00 0.00 39.64 38.31 1n4i n ILE 82 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1n4i s SER 83 N -1.47 1.37 -0.48 4.38 0.01 -1.26 -4.98 113.70 111.27 1n4i s SER 83 Ca 0.35 -0.30 -0.04 0.00 1.31 0.00 0.00 55.95 57.27 1n4i s SER 83 Cb 0.21 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.92 1n4i s SER 83 CO -0.12 -0.34 0.50 0.61 0.41 0.00 0.00 173.24 174.29 1n4i n GLY 84 N 5.32 -1.04 1.96 3.44 0.00 -1.26 -4.50 105.19 109.10 1n4i n GLY 84 Ca -0.05 0.48 0.01 0.00 0.00 0.00 0.00 46.02 46.46 1n4i n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4i s THR 86 N -2.13 0.00 -0.03 0.00 -1.32 -1.26 -5.07 115.64 105.82 1n4i s THR 86 Ca 0.14 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.56 1n4i s THR 86 Cb -0.01 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 1n4i s THR 86 CO 0.00 0.00 -0.12 0.49 -2.21 0.00 0.00 174.62 172.78 1n4i n PHE 87 N 0.40 0.00 -0.87 9.09 3.72 -1.19 -3.92 117.46 124.68 1n4i n PHE 87 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1n4i n PHE 87 Cb 0.58 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1n4i n PHE 87 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1n4i n SER 88 N -3.49 -1.79 -2.71 4.37 2.88 -1.26 -0.21 113.62 111.41 1n4i n SER 88 Ca -0.05 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.46 1n4i n SER 88 Cb 0.18 -1.40 -0.03 0.00 -0.75 0.00 0.00 64.21 62.21 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 1.00 -3.33 1.44 -1.46 0.00 -1.26 -4.68 120.51 112.22 1n4i n ALA 89 Ca 0.00 1.49 0.11 0.00 0.00 0.00 0.00 53.44 55.04 1n4i n ALA 89 Cb 0.09 -2.98 0.68 0.00 0.00 0.00 0.00 19.45 17.24 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77