#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 1.10 2.48 0.44 0.00 -1.26 -4.63 105.19 103.32 1n4i n GLY 2 Ca 0.00 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.34 3.27 0.00 1.61 7.64 -1.26 -4.88 113.62 118.66 1n4i n SER 3 Ca -0.05 -3.10 -0.02 0.00 1.01 0.00 0.00 58.87 56.71 1n4i n SER 3 Cb 0.45 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 -4.46 0.00 -3.91 0.00 -1.04 -1.26 -4.35 114.28 99.25 1n4i n THR 5 Ca -0.01 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.66 1n4i n THR 5 Cb 0.04 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.00 -1.31 -1.55 8.00 0.23 -1.26 0.33 115.26 119.70 1n4i n ASN 6 Ca 0.00 -0.99 -0.10 0.00 -0.53 0.00 0.00 54.58 52.96 1n4i n ASN 6 Cb 0.00 -1.27 0.02 0.00 -2.08 0.00 0.00 39.78 36.45 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 -3.35 -0.95 0.00 5.53 -1.04 -1.26 0.29 114.28 113.50 1n4i n THR 7 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1n4i n THR 7 Cb 0.37 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.69 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 -0.24 0.00 -1.92 8.00 5.15 0.60 -4.67 115.26 122.18 1n4i n ASN 8 Ca -0.05 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.93 1n4i n ASN 8 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1n4i n ASN 8 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1n4i n SER 9 N 0.00 -4.07 -0.26 1.20 2.88 0.99 -4.96 113.62 109.40 1n4i n SER 9 Ca 0.00 0.48 0.04 0.00 -1.33 0.00 0.00 58.87 58.06 1n4i n SER 9 Cb 0.00 -2.49 0.05 0.00 -0.75 0.00 0.00 64.21 61.02 1n4i n SER 9 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1n4i n GLN 10 N 0.21 0.69 -1.43 -1.46 7.27 -1.26 -5.02 117.38 116.38 1n4i n GLN 10 Ca 0.00 -1.57 -0.42 0.00 0.07 0.00 0.00 57.00 55.09 1n4i n GLN 10 Cb 0.01 -0.90 -0.14 0.00 2.41 0.00 0.00 30.24 31.61 1n4i n GLN 10 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1n4i n LEU 11 N -0.56 0.33 -4.92 1.69 7.99 -0.37 -4.51 117.00 116.64 1n4i n LEU 11 Ca 0.06 0.23 -0.27 0.00 -0.01 0.00 0.00 56.01 56.02 1n4i n LEU 11 Cb 0.63 -0.89 0.02 0.00 -0.11 0.00 0.00 43.42 43.06 1n4i n LEU 11 CO 0.00 -0.70 0.49 -0.44 -1.51 0.00 0.00 177.39 175.23 1n4i s SER 12 N 8.44 5.85 0.47 -1.43 0.01 0.57 -4.78 113.70 122.84 1n4i s SER 12 Ca 1.30 0.77 0.00 0.00 1.31 0.00 0.00 55.95 59.33 1n4i s SER 12 Cb -1.25 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 63.09 1n4i s SER 12 CO 0.49 -0.87 0.00 0.00 0.41 0.00 0.00 173.24 173.28 1n4i n ALA 13 N -2.44 0.00 -1.88 1.44 0.00 -1.26 -2.87 120.51 113.50 1n4i n ALA 13 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.10 1n4i n ALA 13 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 1n4i n ALA 13 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1n4i n ASN 14 N -3.53 7.66 -3.15 0.00 2.04 -1.25 -4.88 115.26 112.14 1n4i n ASN 14 Ca 0.00 -3.17 0.00 0.00 -0.44 0.00 0.00 54.58 50.97 1n4i n ASN 14 Cb 0.00 -1.33 0.00 0.00 -2.53 0.00 0.00 39.78 35.92 1n4i n ASN 14 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1n4i n SER 15 N 1.49 -1.53 -3.67 0.53 3.41 -0.87 -4.59 113.62 108.39 1n4i n SER 15 Ca 0.59 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 59.05 1n4i n SER 15 Cb 0.32 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.30 0.77 0.30 4.33 2.20 -0.98 -4.88 119.74 119.18 1n4i s LYS 16 Ca 0.00 0.23 0.05 0.00 -0.36 0.00 0.00 55.97 55.89 1n4i s LYS 16 Cb 0.00 0.36 -0.06 0.00 -1.51 0.00 0.00 37.83 36.62 1n4i s LYS 16 CO 0.00 -0.20 0.01 0.00 -0.36 0.00 0.00 175.35 174.80 1n4i n GLU 18 N -0.61 0.00 -0.87 0.00 1.02 -1.26 -4.86 120.64 114.06 1n4i n GLU 18 Ca -0.04 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.92 1n4i n GLU 18 Cb 0.65 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.98 1n4i n GLU 18 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1n4i n LYS 19 N 0.00 2.08 -4.02 3.49 0.00 -1.26 -4.85 118.16 113.61 1n4i n LYS 19 Ca 0.00 -1.20 -0.23 0.00 0.00 0.00 0.00 58.31 56.88 1n4i n LYS 19 Cb 0.00 -2.19 -0.06 0.00 0.00 0.00 0.00 35.03 32.78 1n4i n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1n4i s SER 20 N 2.47 4.61 -0.42 3.14 0.15 -1.03 -4.57 113.70 118.04 1n4i s SER 20 Ca 0.53 -0.93 -0.11 0.00 0.70 0.00 0.00 55.95 56.13 1n4i s SER 20 Cb 0.20 -0.56 0.07 0.00 -1.71 0.00 0.00 66.02 64.02 1n4i s SER 20 CO -0.02 -0.50 0.28 -0.89 1.20 0.00 0.00 173.24 173.32 1n4i s THR 21 N -2.53 4.53 0.02 6.45 2.01 -0.50 -4.97 115.64 120.65 1n4i s THR 21 Ca 0.41 -1.22 0.02 0.00 0.31 0.00 0.00 61.69 61.22 1n4i s THR 21 Cb 0.01 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1n4i s THR 21 CO 0.24 -0.47 0.00 -0.76 -0.69 0.00 0.00 174.62 172.94 1n4i s LEU 22 N 1.50 3.51 -0.30 4.42 2.01 -1.26 -1.87 118.68 126.69 1n4i s LEU 22 Ca 0.03 -0.04 -0.10 0.00 0.01 0.00 0.00 54.13 54.04 1n4i s LEU 22 Cb -0.23 -2.06 0.14 0.00 0.01 0.00 0.00 46.19 44.05 1n4i s LEU 22 CO 0.04 0.26 0.68 -0.89 1.01 0.00 0.00 176.35 177.45 1n4i s THR 23 N -1.13 -0.94 -0.93 5.49 2.01 -0.86 -4.37 115.64 114.90 1n4i s THR 23 Ca 0.21 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.17 1n4i s THR 23 Cb -0.12 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1n4i s THR 23 CO 0.12 0.00 0.82 0.59 -0.69 0.00 0.00 174.62 175.46 1n4i n ASN 24 N 5.40 -6.99 -4.15 3.53 4.13 0.84 -2.56 115.26 115.45 1n4i n ASN 24 Ca -0.10 -0.49 -0.11 0.00 1.68 0.00 0.00 54.58 55.56 1n4i n ASN 24 Cb 0.50 -5.08 -0.09 0.00 -1.54 0.00 0.00 39.78 33.57 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 -0.29 0.00 -2.02 0.00 4.01 -1.26 -4.09 117.16 113.50 1n4i n TYR 26 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1n4i n TYR 26 Cb 0.65 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 1n4i n TYR 26 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1n4i n VAL 27 N -2.10 -5.01 0.00 -0.72 0.31 -1.26 -1.24 118.33 108.30 1n4i n VAL 27 Ca 0.00 1.21 0.00 0.00 -0.01 0.00 0.00 64.34 65.54 1n4i n VAL 27 Cb 0.27 -2.96 0.00 0.00 -0.91 0.00 0.00 33.84 30.24 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 1.87 0.00 -3.87 4.52 9.92 -1.21 0.21 116.55 128.00 1n4i n ASP 28 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 1n4i n ASP 28 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 1n4i n ASP 28 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1n4i n LYS 29 N 0.00 4.08 -2.71 -1.24 5.02 -1.25 -2.06 118.16 119.99 1n4i n LYS 29 Ca 0.00 -3.93 -0.07 0.00 -2.02 0.00 0.00 58.31 52.29 1n4i n LYS 29 Cb 0.00 -2.74 -0.02 0.00 -0.02 0.00 0.00 35.03 32.25 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 2.63 0.35 0.05 4.39 7.64 -1.26 0.25 113.62 127.66 1n4i n SER 30 Ca 0.37 -1.68 0.00 0.00 1.01 0.00 0.00 58.87 58.57 1n4i n SER 30 Cb 0.34 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 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 -0.24 0.00 -0.81 1.43 1.02 -1.26 -2.33 120.64 118.46 1n4i n GLU 31 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1n4i n GLU 31 Cb 0.19 -0.02 -0.00 0.00 -0.02 0.00 0.00 31.44 31.58 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 -2.86 -1.44 0.00 2.62 0.31 -1.04 -4.28 118.33 111.64 1n4i n VAL 32 Ca 0.00 0.74 0.00 0.00 -0.01 0.00 0.00 64.34 65.07 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 -2.14 0.00 -1.76 3.52 4.01 -1.21 -4.71 117.16 114.86 1n4i n TYR 33 Ca -0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1n4i n TYR 33 Cb 0.26 0.30 0.01 0.00 -0.31 0.00 0.00 39.34 39.59 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 1.61 0.30 3.72 2.72 0.00 -1.15 -2.47 105.19 109.92 1n4i n GLY 34 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.21 2.78 -0.60 2.61 2.01 -0.37 -4.14 115.64 117.74 1n4i s THR 35 Ca 0.02 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.33 1n4i s THR 35 Cb 0.02 -2.62 0.30 0.00 0.01 0.00 0.00 72.50 70.20 1n4i s THR 35 CO 0.00 -0.33 0.84 0.41 -0.69 0.00 0.00 174.62 174.85 1n4i n THR 36 N -3.87 2.56 -1.51 -0.82 -1.04 -1.23 -1.42 114.28 106.96 1n4i n THR 36 Ca 0.09 -5.35 -0.36 0.00 -2.04 0.00 0.00 64.05 56.38 1n4i n THR 36 Cb 0.54 -1.71 -0.15 0.00 -1.82 0.00 0.00 70.33 67.18 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 7.21 1.41 0.00 0.00 -1.04 -1.26 -2.03 114.28 118.58 1n4i n THR 38 Ca 0.63 -0.71 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1n4i n THR 38 Cb 0.11 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 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 0.29 0.64 0.00 3.41 0.00 -1.06 -4.95 105.19 103.52 1n4i n GLY 39 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1n4i n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4i n SER 40 N 0.00 0.82 -3.56 1.61 3.41 -1.19 -4.69 113.62 110.02 1n4i n SER 40 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1n4i n SER 40 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1n4i n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4i s ARG 41 N 1.39 0.59 0.26 4.33 1.70 -1.26 -4.29 118.95 121.66 1n4i s ARG 41 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.25 1n4i s ARG 41 Cb 0.00 0.27 -0.00 0.00 -0.57 0.00 0.00 34.95 34.65 1n4i s ARG 41 CO 0.00 -0.21 0.01 1.19 -1.08 0.00 0.00 175.30 175.21 1n4i n PHE 42 N 0.37 0.54 0.00 5.89 3.72 -1.26 -4.13 117.46 122.59 1n4i n PHE 42 Ca -0.08 -1.35 0.00 0.00 -0.05 0.00 0.00 57.45 55.98 1n4i n PHE 42 Cb 0.59 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.26 0.00 0.00 4.37 -0.08 -1.26 -3.29 116.55 115.03 1n4i n ASP 43 Ca -0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1n4i n ASP 43 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 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 0.00 0.74 0.00 0.27 0.00 0.14 -3.74 105.19 102.60 1n4i n GLY 44 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.49 -2.22 118.33 114.77 1n4i n VAL 45 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 1n4i n VAL 45 Cb 0.00 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 32.47 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 -2.19 3.34 -1.04 0.30 -4.03 114.28 110.66 1n4i n THR 46 Ca 0.00 -1.46 -0.26 0.00 -2.04 0.00 0.00 64.05 60.29 1n4i n THR 46 Cb 0.00 1.22 0.07 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 0.22 2.35 0.00 12.58 2.07 -1.26 -2.85 121.20 134.32 1n4i s ILE 47 Ca 0.21 -0.23 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 1n4i s ILE 47 Cb 0.34 -3.03 0.00 0.00 0.13 0.00 0.00 42.46 39.89 1n4i s ILE 47 CO -0.07 -0.04 0.00 0.35 -1.91 0.00 0.00 174.94 173.27 1n4i n THR 48 N -2.93 0.00 -1.36 4.00 -2.24 -1.20 -2.49 114.28 108.07 1n4i n THR 48 Ca 0.08 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.46 1n4i n THR 48 Cb 0.60 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.75 -4.55 4.28 -1.04 -1.26 -1.23 114.28 112.22 1n4i n THR 49 Ca 0.00 -1.61 -0.22 0.00 -2.04 0.00 0.00 64.05 60.18 1n4i n THR 49 Cb 0.00 -2.26 -0.16 0.00 -1.82 0.00 0.00 70.33 66.09 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 5.50 1.54 -0.30 8.00 0.01 -1.26 -3.24 113.70 123.94 1n4i s SER 50 Ca 0.61 -0.24 -0.15 0.00 1.31 0.00 0.00 55.95 57.47 1n4i s SER 50 Cb 0.10 -0.38 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 1n4i s SER 50 CO 0.14 0.11 0.39 -0.89 0.41 0.00 0.00 173.24 173.39 1n4i s THR 51 N 0.07 5.15 -0.03 1.44 2.01 -1.21 -3.65 115.64 119.42 1n4i s THR 51 Ca -0.02 0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.41 1n4i s THR 51 Cb -0.09 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1n4i s THR 51 CO 0.01 0.02 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.33 1n4i s SER 52 N 1.69 2.27 -0.15 3.53 0.01 -1.24 0.30 113.70 120.10 1n4i s SER 52 Ca 0.15 -0.36 -0.00 0.00 1.31 0.00 0.00 55.95 57.04 1n4i s SER 52 Cb -0.16 -0.44 -0.01 0.00 0.21 0.00 0.00 66.02 65.63 1n4i s SER 52 CO 0.11 0.20 -0.14 -0.89 0.41 0.00 0.00 173.24 172.93 1n4i s THR 53 N -0.23 2.83 -1.47 1.44 2.01 0.51 -4.48 115.64 116.25 1n4i s THR 53 Ca 0.02 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 1n4i s THR 53 Cb -0.10 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.22 1n4i s THR 53 CO 0.01 0.51 0.22 0.61 -0.69 0.00 0.00 174.62 175.28 1n4i n GLY 54 N 3.96 -0.21 3.16 4.40 0.00 -1.26 0.16 105.19 115.39 1n4i n GLY 54 Ca -0.19 0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.33 1.97 -0.53 1.61 1.04 -1.25 -2.53 113.70 109.70 1n4i s SER 55 Ca 0.03 -0.35 -0.16 0.00 0.48 0.00 0.00 55.95 55.95 1n4i s SER 55 Cb -0.02 -0.20 0.11 0.00 0.10 0.00 0.00 66.02 66.02 1n4i s SER 55 CO 0.95 0.17 0.49 -0.60 0.98 0.00 0.00 173.24 175.24 1n4i s ARG 56 N -0.61 3.00 0.00 4.02 3.52 0.81 -4.02 118.95 125.66 1n4i s ARG 56 Ca 0.06 -1.56 0.09 0.00 -0.13 0.00 0.00 55.73 54.19 1n4i s ARG 56 Cb -0.07 -4.25 0.46 0.00 -1.56 0.00 0.00 34.95 29.54 1n4i s ARG 56 CO -0.00 -1.26 1.31 -0.89 -0.81 0.00 0.00 175.30 173.65 1n4i n ILE 57 N 5.27 0.08 -0.67 4.11 -0.00 -1.25 -3.30 119.36 123.60 1n4i n ILE 57 Ca -0.13 -0.09 -0.31 0.00 -0.00 0.00 0.00 62.75 62.21 1n4i n ILE 57 Cb 0.41 -0.03 0.17 0.00 -0.00 0.00 0.00 39.64 40.20 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 -0.38 -1.31 0.00 4.38 7.64 -1.26 -4.58 113.62 118.11 1n4i n SER 58 Ca 0.07 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1n4i n SER 58 Cb 0.09 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 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 1.11 3.40 2.38 0.23 0.00 -1.23 -4.54 105.19 106.54 1n4i n GLY 59 Ca 0.07 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.05 1.90 0.00 1.61 -0.04 -1.26 -3.27 135.00 132.89 1n4i n PRO 60 Ca 0.00 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 1n4i n PRO 60 Cb 0.00 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 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 3.24 1.67 3.53 0.55 0.00 -1.13 -5.09 105.19 107.95 1n4i n GLY 61 Ca 0.41 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.75 -0.05 0.18 0.00 2.20 -1.22 -0.54 119.74 119.55 1n4i s LYS 63 Ca 0.70 0.43 0.01 0.00 -0.36 0.00 0.00 55.97 56.75 1n4i s LYS 63 Cb -0.88 -0.44 -0.05 0.00 -1.51 0.00 0.00 37.83 34.95 1n4i s LYS 63 CO 0.55 -0.32 0.02 0.42 -0.36 0.00 0.00 175.35 175.66 1n4i s ILE 64 N 2.18 0.60 -0.25 5.43 1.01 -1.13 -4.66 121.20 124.38 1n4i s ILE 64 Ca 0.04 -1.97 -0.05 0.00 0.00 0.00 0.00 60.65 58.66 1n4i s ILE 64 Cb -0.12 -2.15 0.13 0.00 0.01 0.00 0.00 42.46 40.33 1n4i s ILE 64 CO -0.04 -0.43 0.50 -0.44 0.00 0.00 0.00 174.94 174.53 1n4i s SER 65 N -3.17 -0.59 -0.29 3.58 0.01 -1.26 -3.27 113.70 108.71 1n4i s SER 65 Ca 0.25 0.93 -0.08 0.00 1.31 0.00 0.00 55.95 58.36 1n4i s SER 65 Cb 0.06 1.70 0.01 0.00 0.21 0.00 0.00 66.02 68.00 1n4i s SER 65 CO 0.04 -0.25 0.22 0.41 0.41 0.00 0.00 173.24 174.07 1n4i n THR 66 N 5.41 -8.72 -3.34 1.44 -1.04 -1.20 -3.67 114.28 103.16 1n4i n THR 66 Ca -0.07 1.14 -0.12 0.00 -2.04 0.00 0.00 64.05 62.96 1n4i n THR 66 Cb 0.50 -5.77 -0.07 0.00 -1.82 0.00 0.00 70.33 63.16 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 2.47 3.30 0.26 0.00 1.09 -1.25 -3.33 121.20 123.74 1n4i s ILE 68 Ca 0.10 0.01 0.07 0.00 -1.10 0.00 0.00 60.65 59.72 1n4i s ILE 68 Cb -0.13 -3.75 -0.03 0.00 -1.06 0.00 0.00 42.46 37.49 1n4i s ILE 68 CO -0.31 -0.72 0.26 -0.63 -0.10 0.00 0.00 174.94 173.44 1n4i s ILE 69 N 10.26 4.53 -0.30 2.92 1.01 0.86 0.79 121.20 141.27 1n4i s ILE 69 Ca 0.74 -1.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 1n4i s ILE 69 Cb -0.12 -3.49 0.19 0.00 0.01 0.00 0.00 42.46 39.05 1n4i s ILE 69 CO 0.15 -0.32 0.71 -0.89 0.00 0.00 0.00 174.94 174.59 1n4i s THR 70 N -2.12 -0.83 0.00 2.92 2.01 0.95 -0.36 115.64 118.21 1n4i s THR 70 Ca 0.34 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1n4i s THR 70 Cb -0.08 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1n4i s THR 70 CO 0.26 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 1n4i n GLY 71 N 5.44 0.57 1.34 4.40 0.00 0.41 -3.44 105.19 113.92 1n4i n GLY 71 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.63 0.65 3.33 -0.02 0.00 -1.23 -4.42 105.19 100.87 1n4i n GLY 72 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 2.28 0.49 1.61 -7.23 -1.22 -3.96 120.40 110.38 1n4i s VAL 73 Ca 0.00 -1.01 -0.16 0.00 -1.81 0.00 0.00 61.98 59.00 1n4i s VAL 73 Cb 0.00 -1.83 -0.08 0.00 0.56 0.00 0.00 36.38 35.03 1n4i s VAL 73 CO 0.00 0.58 0.96 -2.16 -0.31 0.00 0.00 175.10 174.17 1n4i s PRO 74 N -0.48 3.96 0.60 4.82 0.04 -1.26 -0.03 135.00 142.65 1n4i s PRO 74 Ca 0.06 0.92 -0.08 0.00 0.04 0.00 0.00 61.00 61.93 1n4i s PRO 74 Cb -0.11 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 1n4i s PRO 74 CO 0.01 -0.22 0.96 0.00 0.04 0.00 0.00 177.00 177.78 1n4i s ALA 75 N -2.56 3.17 -0.40 8.56 0.00 0.24 -4.87 121.76 125.90 1n4i s ALA 75 Ca 0.58 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 1n4i s ALA 75 Cb -0.10 -2.83 -0.15 0.00 0.00 0.00 0.00 23.12 20.04 1n4i s ALA 75 CO 0.30 -0.75 2.65 -0.35 0.00 0.00 0.00 175.76 177.60 1n4i n PRO 76 N -2.66 1.87 -4.14 0.00 -0.04 -1.26 -4.83 135.00 123.94 1n4i n PRO 76 Ca 0.05 -1.07 -0.36 0.00 -0.04 0.00 0.00 63.50 62.08 1n4i n PRO 76 Cb 0.56 -2.11 -0.08 0.00 -0.04 0.00 0.00 33.50 31.83 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 2.51 5.73 0.28 3.54 0.01 -1.26 -4.99 113.70 119.51 1n4i s SER 77 Ca 0.49 0.26 0.17 0.00 1.31 0.00 0.00 55.95 58.19 1n4i s SER 77 Cb 0.20 -1.77 0.09 0.00 0.21 0.00 0.00 66.02 64.74 1n4i s SER 77 CO -0.01 0.36 1.36 0.00 0.41 0.00 0.00 173.24 175.36 1n4i h ALA 78 N 5.29 0.72 -0.05 1.44 0.00 -1.97 -3.19 119.26 121.51 1n4i h ALA 78 Ca -0.51 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1n4i h ALA 78 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1n4i h ALA 78 CO 0.58 0.50 0.00 0.00 0.00 0.00 0.00 179.25 180.33 1n4i n ALA 79 N -2.22 2.56 -2.92 0.00 0.00 -1.26 -4.82 120.51 111.84 1n4i n ALA 79 Ca 0.01 -0.18 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 1n4i n ALA 79 Cb 0.70 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.39 1.33 0.00 0.00 -0.00 -1.24 -5.02 118.16 112.85 1n4i n LYS 81 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1n4i n LYS 81 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.57 1n4i n LYS 81 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1n4i n ILE 82 N -0.78 0.00 0.00 0.58 0.13 -1.26 -4.91 119.36 113.12 1n4i n ILE 82 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1n4i n ILE 82 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1n4i n ILE 82 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 1n4i n SER 83 N 0.00 0.00 -3.92 9.51 7.64 -1.26 -4.67 113.62 120.92 1n4i n SER 83 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1n4i n SER 83 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1n4i n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1n4i s GLY 84 N 0.00 2.82 0.00 0.23 0.00 -1.26 -5.04 107.32 104.06 1n4i s GLY 84 Ca 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 44.72 41.02 1n4i s GLY 84 CO 0.00 1.06 0.00 0.00 0.00 0.00 0.00 173.10 174.16 1n4i n THR 86 N 0.00 0.00 -0.00 0.00 5.66 -1.26 -5.00 114.28 113.67 1n4i n THR 86 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1n4i n THR 86 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1n4i n THR 86 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1n4i n PHE 87 N -0.36 0.00 0.00 1.09 3.72 -1.21 -3.81 117.46 116.90 1n4i n PHE 87 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1n4i n PHE 87 Cb 0.00 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 1n4i n PHE 87 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1n4i n SER 88 N -1.95 0.00 0.00 4.37 7.64 -1.25 0.28 113.62 122.71 1n4i n SER 88 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1n4i n SER 88 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 5.76 0.00 0.00 -0.43 0.00 -1.26 -3.72 120.51 120.85 1n4i n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n4i n ALA 89 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77