#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 2.94 3.56 0.27 0.00 -1.26 -4.91 105.19 105.79 1n4i n GLY 2 Ca 0.00 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 1n4i n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n4i s SER 3 N 0.00 5.63 0.01 1.61 0.01 -1.26 -4.74 113.70 114.97 1n4i s SER 3 Ca 0.00 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1n4i s SER 3 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1n4i s SER 3 CO 0.00 -2.26 0.00 0.00 0.41 0.00 0.00 173.24 171.39 1n4i n THR 5 N -0.07 0.00 -4.43 0.00 -1.04 -1.26 -4.78 114.28 102.70 1n4i n THR 5 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1n4i n THR 5 Cb 0.00 0.07 -0.06 0.00 -1.82 0.00 0.00 70.33 68.52 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 -2.27 0.00 8.00 5.15 -1.26 0.21 115.26 125.09 1n4i n ASN 6 Ca 0.00 -1.17 0.00 0.00 -0.60 0.00 0.00 54.58 52.81 1n4i n ASN 6 Cb 0.50 -2.01 0.00 0.00 -0.53 0.00 0.00 39.78 37.74 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1n4i n THR 7 N -4.19 0.00 0.00 -0.44 -1.04 -1.26 -3.49 114.28 103.86 1n4i n THR 7 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1n4i n THR 7 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 0.56 0.00 0.00 8.00 3.02 0.56 -4.95 115.26 122.46 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 -1.54 -2.62 0.00 0.00 177.26 173.10 1n4i n SER 9 N 0.00 0.00 0.03 6.41 3.41 0.16 -4.54 113.62 119.08 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 -3.19 4.33 6.02 -1.13 -4.87 117.38 118.53 1n4i n GLN 10 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 1n4i n GLN 10 Cb 0.00 -0.43 0.02 0.00 1.02 0.00 0.00 30.24 30.85 1n4i n GLN 10 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1n4i n LEU 11 N -3.21 -4.84 -4.30 1.08 7.94 0.39 -4.47 117.00 109.58 1n4i n LEU 11 Ca 0.00 0.29 -0.49 0.00 -1.11 0.00 0.00 56.01 54.69 1n4i n LEU 11 Cb 0.22 -2.31 -0.04 0.00 0.53 0.00 0.00 43.42 41.82 1n4i n LEU 11 CO 0.00 -1.24 0.11 -1.54 -1.11 0.00 0.00 177.39 173.62 1n4i n SER 12 N 0.08 -0.95 0.30 1.96 3.41 -0.69 -4.41 113.62 113.32 1n4i n SER 12 Ca -0.00 1.11 0.15 0.00 -0.26 0.00 0.00 58.87 59.86 1n4i n SER 12 Cb 0.53 -0.92 0.74 0.00 -0.26 0.00 0.00 64.21 64.30 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 1.40 1.49 0.00 7.33 0.00 -1.85 1.16 119.26 128.79 1n4i h ALA 13 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1n4i h ALA 13 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1n4i h ALA 13 CO 0.57 -0.44 0.00 -1.71 0.00 0.00 0.00 179.25 177.67 1n4i n ASN 14 N -2.95 0.00 -2.10 0.00 2.85 -1.26 -3.82 115.26 107.98 1n4i n ASN 14 Ca -0.01 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1n4i n ASN 14 Cb 0.47 -0.35 0.00 0.00 1.24 0.00 0.00 39.78 41.14 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 -1.35 0.00 -3.76 1.20 2.88 0.40 -4.00 113.62 108.98 1n4i n SER 15 Ca 0.10 -0.30 -0.13 0.00 -1.33 0.00 0.00 58.87 57.22 1n4i n SER 15 Cb 0.24 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.57 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 -0.22 0.18 -0.04 -1.46 2.20 -1.20 -3.09 119.74 116.11 1n4i s LYS 16 Ca 0.00 0.39 0.02 0.00 -0.36 0.00 0.00 55.97 56.02 1n4i s LYS 16 Cb 0.00 -0.06 0.01 0.00 -1.51 0.00 0.00 37.83 36.27 1n4i s LYS 16 CO 0.00 -0.12 -0.08 0.00 -0.36 0.00 0.00 175.35 174.79 1n4i n GLU 18 N 3.61 0.00 -1.68 0.00 1.02 -1.26 -4.97 120.64 117.35 1n4i n GLU 18 Ca -0.21 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.64 1n4i n GLU 18 Cb 0.53 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 32.00 1n4i n GLU 18 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1n4i n LYS 19 N -0.55 3.16 -4.07 3.49 4.76 -1.26 -5.01 118.16 118.69 1n4i n LYS 19 Ca 0.00 -3.75 -0.28 0.00 -2.87 0.00 0.00 58.31 51.41 1n4i n LYS 19 Cb 0.00 -2.28 -0.06 0.00 -1.84 0.00 0.00 35.03 30.86 1n4i n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1n4i s SER 20 N -2.77 5.54 -0.77 4.39 0.01 -1.26 -4.09 113.70 114.75 1n4i s SER 20 Ca 0.57 -0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.73 1n4i s SER 20 Cb 0.46 -1.47 0.19 0.00 0.21 0.00 0.00 66.02 65.41 1n4i s SER 20 CO 0.02 0.10 0.62 -0.89 0.41 0.00 0.00 173.24 173.50 1n4i s THR 21 N -1.63 4.06 0.52 1.44 2.01 -1.23 -4.83 115.64 115.98 1n4i s THR 21 Ca 0.30 -3.48 0.09 0.00 0.31 0.00 0.00 61.69 58.92 1n4i s THR 21 Cb -0.11 -3.57 0.06 0.00 0.01 0.00 0.00 72.50 68.89 1n4i s THR 21 CO 0.23 -1.00 0.68 -0.76 -0.69 0.00 0.00 174.62 173.08 1n4i s LEU 22 N -0.78 3.26 -0.28 4.42 1.43 -1.25 -3.97 118.68 121.50 1n4i s LEU 22 Ca 0.23 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1n4i s LEU 22 Cb -0.13 -1.93 0.18 0.00 0.03 0.00 0.00 46.19 44.34 1n4i s LEU 22 CO -0.09 -1.12 0.53 -0.89 0.23 0.00 0.00 176.35 175.01 1n4i s THR 23 N -2.57 -0.87 -0.15 5.49 2.01 0.32 -4.70 115.64 115.17 1n4i s THR 23 Ca 0.57 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.42 1n4i s THR 23 Cb -0.07 -0.95 0.04 0.00 0.01 0.00 0.00 72.50 71.53 1n4i s THR 23 CO 0.35 -0.06 0.21 0.59 -0.69 0.00 0.00 174.62 175.02 1n4i n ASN 24 N 5.40 -1.78 -1.68 3.53 4.13 -1.23 -0.57 115.26 123.07 1n4i n ASN 24 Ca -0.00 1.33 -0.04 0.00 1.68 0.00 0.00 54.58 57.55 1n4i n ASN 24 Cb 0.51 -4.75 0.01 0.00 -1.54 0.00 0.00 39.78 34.01 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 -0.20 0.00 -1.53 0.00 4.19 -0.84 -2.84 117.16 115.93 1n4i n TYR 26 Ca -0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.18 1n4i n TYR 26 Cb 0.22 0.31 0.00 0.00 0.49 0.00 0.00 39.34 40.36 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 -2.50 -3.54 -3.66 2.97 0.31 -1.26 -0.46 118.33 110.18 1n4i n VAL 27 Ca 0.00 1.67 -0.09 0.00 -0.01 0.00 0.00 64.34 65.91 1n4i n VAL 27 Cb 0.13 -2.43 -0.10 0.00 -0.91 0.00 0.00 33.84 30.54 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 -4.11 -0.31 -1.48 4.52 2.15 -1.10 -2.45 116.67 113.88 1n4i s ASP 28 Ca 0.00 0.98 -0.12 0.00 0.43 0.00 0.00 52.55 53.85 1n4i s ASP 28 Cb 0.00 1.25 0.06 0.00 -0.30 0.00 0.00 42.92 43.93 1n4i s ASP 28 CO 0.00 -0.22 0.96 0.29 -0.17 0.00 0.00 175.17 176.02 1n4i n LYS 29 N 5.17 -5.84 -0.62 4.34 4.01 -1.26 0.12 118.16 124.08 1n4i n LYS 29 Ca -0.11 0.67 0.00 0.00 -0.51 0.00 0.00 58.31 58.35 1n4i n LYS 29 Cb 0.51 -5.58 0.00 0.00 -0.51 0.00 0.00 35.03 29.45 1n4i n LYS 29 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1n4i n SER 30 N -2.80 1.66 0.00 4.39 7.64 -1.26 -1.24 113.62 122.02 1n4i n SER 30 Ca 0.02 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1n4i n SER 30 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 -0.59 1.43 1.02 -1.26 -3.24 120.64 118.01 1n4i n GLU 31 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1n4i n GLU 31 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -2.20 -2.43 -2.61 2.62 0.31 0.42 -3.76 118.33 110.68 1n4i n VAL 32 Ca 0.00 0.86 0.00 0.00 -0.01 0.00 0.00 64.34 65.19 1n4i n VAL 32 Cb 0.00 -1.20 0.04 0.00 -0.91 0.00 0.00 33.84 31.77 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 -1.08 0.18 0.00 3.52 4.01 -1.15 -4.81 117.16 117.83 1n4i n TYR 33 Ca 0.00 -1.40 0.00 0.00 -0.16 0.00 0.00 57.90 56.34 1n4i n TYR 33 Cb 0.02 0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 -0.37 0.11 3.46 2.72 0.00 -1.20 -3.68 105.19 106.23 1n4i n GLY 34 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.85 2.61 -1.04 -0.60 -4.09 114.28 108.31 1n4i n THR 35 Ca 0.00 -0.34 -0.35 0.00 -2.04 0.00 0.00 64.05 61.32 1n4i n THR 35 Cb 0.00 -0.89 -0.01 0.00 -1.82 0.00 0.00 70.33 67.61 1n4i n THR 35 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1n4i n THR 36 N -4.69 4.69 -1.52 12.58 5.66 -1.23 -3.49 114.28 126.28 1n4i n THR 36 Ca 0.04 -5.78 -0.25 0.00 -3.05 0.00 0.00 64.05 55.01 1n4i n THR 36 Cb 0.55 -1.61 -0.16 0.00 -1.55 0.00 0.00 70.33 67.56 1n4i n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n4i s THR 38 N 6.63 5.08 -1.41 0.00 2.01 -1.24 0.12 115.64 126.83 1n4i s THR 38 Ca 1.20 -1.42 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 1n4i s THR 38 Cb -0.68 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 67.64 1n4i s THR 38 CO 0.40 -0.78 0.33 0.61 -0.69 0.00 0.00 174.62 174.50 1n4i n GLY 39 N 5.19 -0.34 3.58 4.40 0.00 0.72 -4.14 105.19 114.60 1n4i n GLY 39 Ca -0.13 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.18 3.20 -0.04 1.61 0.01 -1.07 -4.76 113.70 108.48 1n4i s SER 40 Ca 0.11 -1.74 -0.14 0.00 1.31 0.00 0.00 55.95 55.49 1n4i s SER 40 Cb -0.05 0.64 0.03 0.00 0.21 0.00 0.00 66.02 66.84 1n4i s SER 40 CO 0.94 -0.99 0.32 -0.13 0.41 0.00 0.00 173.24 173.79 1n4i s ARG 41 N -3.70 0.61 0.49 12.44 0.52 -1.26 -1.99 118.95 126.05 1n4i s ARG 41 Ca 0.17 -0.05 0.04 0.00 -0.52 0.00 0.00 55.73 55.37 1n4i s ARG 41 Cb 0.01 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.74 1n4i s ARG 41 CO 0.12 -0.15 0.12 -0.06 0.02 0.00 0.00 175.30 175.35 1n4i s PHE 42 N -1.01 2.03 -0.39 -0.53 0.08 -1.26 -4.18 117.98 112.72 1n4i s PHE 42 Ca -0.11 -0.83 0.10 0.00 0.12 0.00 0.00 56.93 56.21 1n4i s PHE 42 Cb -0.05 -1.76 0.40 0.00 -0.57 0.00 0.00 43.02 41.04 1n4i s PHE 42 CO 0.03 0.10 1.32 -3.47 -0.10 0.00 0.00 175.22 173.10 1n4i n ASP 43 N -1.33 -1.55 0.00 1.36 -0.08 -1.19 -2.71 116.55 111.05 1n4i n ASP 43 Ca -0.10 -2.49 0.00 0.00 -1.51 0.00 0.00 54.79 50.69 1n4i n ASP 43 Cb 0.66 0.86 0.00 0.00 2.34 0.00 0.00 41.12 44.98 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 -0.54 0.57 0.00 0.27 0.00 0.32 -3.54 105.19 102.27 1n4i n GLY 44 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.70 1.61 0.24 -0.37 -1.63 118.33 115.47 1n4i n VAL 45 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1n4i n VAL 45 Cb 0.00 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.46 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 -2.04 3.34 -1.04 0.35 -4.01 114.28 110.88 1n4i n THR 46 Ca 0.00 -1.19 -0.28 0.00 -2.04 0.00 0.00 64.05 60.54 1n4i n THR 46 Cb 0.00 1.17 0.09 0.00 -1.82 0.00 0.00 70.33 69.77 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 0.17 2.11 0.00 12.58 2.07 -1.26 -2.76 121.20 134.12 1n4i s ILE 47 Ca 0.19 -0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 1n4i s ILE 47 Cb 0.29 -2.99 0.00 0.00 0.13 0.00 0.00 42.46 39.89 1n4i s ILE 47 CO -0.09 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.29 1n4i n THR 48 N -3.18 0.00 -1.91 4.00 -2.24 -0.93 -0.44 114.28 109.58 1n4i n THR 48 Ca 0.09 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.46 1n4i n THR 48 Cb 0.61 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 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 3.02 -4.54 4.28 -1.04 -1.24 -1.56 114.28 113.20 1n4i n THR 49 Ca 0.00 -2.88 -0.22 0.00 -2.04 0.00 0.00 64.05 58.91 1n4i n THR 49 Cb 0.00 -2.41 -0.14 0.00 -1.82 0.00 0.00 70.33 65.96 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 4.38 1.77 0.03 8.00 0.01 -1.26 -3.35 113.70 123.28 1n4i s SER 50 Ca 0.55 -0.37 -0.23 0.00 1.31 0.00 0.00 55.95 57.21 1n4i s SER 50 Cb 0.09 -0.16 -0.06 0.00 0.21 0.00 0.00 66.02 66.11 1n4i s SER 50 CO 0.04 0.12 0.69 -0.89 0.41 0.00 0.00 173.24 173.60 1n4i s THR 51 N -0.60 4.79 -0.22 1.44 2.01 0.86 -3.51 115.64 120.41 1n4i s THR 51 Ca 0.04 1.46 -0.10 0.00 0.31 0.00 0.00 61.69 63.40 1n4i s THR 51 Cb -0.07 -4.03 0.08 0.00 0.01 0.00 0.00 72.50 68.49 1n4i s THR 51 CO 0.00 0.40 0.51 -0.94 -0.69 0.00 0.00 174.62 173.90 1n4i s SER 52 N -0.19 -0.62 -0.21 3.53 1.04 -1.19 0.29 113.70 116.35 1n4i s SER 52 Ca 0.35 1.15 -0.04 0.00 0.48 0.00 0.00 55.95 57.89 1n4i s SER 52 Cb -0.20 1.30 -0.01 0.00 0.10 0.00 0.00 66.02 67.21 1n4i s SER 52 CO 0.20 -0.22 -0.04 -0.89 0.98 0.00 0.00 173.24 173.27 1n4i s THR 53 N 2.04 3.42 -0.25 2.02 2.01 -1.20 -4.38 115.64 119.30 1n4i s THR 53 Ca -0.07 -0.48 -0.16 0.00 0.31 0.00 0.00 61.69 61.29 1n4i s THR 53 Cb -0.09 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.89 1n4i s THR 53 CO -0.15 0.43 0.31 0.61 -0.69 0.00 0.00 174.62 175.12 1n4i n GLY 54 N 4.67 -0.66 3.34 4.40 0.00 -1.26 0.57 105.19 116.25 1n4i n GLY 54 Ca -0.18 0.62 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.43 -0.48 -0.68 1.61 1.04 -1.26 -2.03 113.70 110.47 1n4i s SER 55 Ca 0.17 1.07 -0.24 0.00 0.48 0.00 0.00 55.95 57.43 1n4i s SER 55 Cb -0.02 1.28 0.06 0.00 0.10 0.00 0.00 66.02 67.44 1n4i s SER 55 CO 0.50 -0.22 1.04 -0.60 0.98 0.00 0.00 173.24 174.94 1n4i s ARG 56 N 2.21 3.13 -0.03 4.02 3.52 -1.26 -4.27 118.95 126.27 1n4i s ARG 56 Ca -0.05 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 54.86 1n4i s ARG 56 Cb -0.10 -4.23 0.12 0.00 -1.56 0.00 0.00 34.95 29.18 1n4i s ARG 56 CO -0.14 -1.89 0.74 -0.89 -0.81 0.00 0.00 175.30 172.31 1n4i n ILE 57 N 6.03 0.37 -1.12 4.11 -0.00 -1.26 -2.62 119.36 124.87 1n4i n ILE 57 Ca -0.02 -0.20 -0.37 0.00 -0.00 0.00 0.00 62.75 62.16 1n4i n ILE 57 Cb 0.46 -0.39 0.03 0.00 -0.00 0.00 0.00 39.64 39.75 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 0.05 -4.58 0.00 4.38 7.64 -1.26 -4.60 113.62 115.25 1n4i n SER 58 Ca 0.04 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1n4i n SER 58 Cb 0.35 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 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 2.89 3.64 2.29 0.23 0.00 -1.23 -4.52 105.19 108.50 1n4i n GLY 59 Ca 0.03 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.12 1.80 0.00 1.61 -0.04 -1.26 -3.43 135.00 132.55 1n4i n PRO 60 Ca 0.00 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1n4i n PRO 60 Cb 0.00 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 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 3.04 2.00 3.26 0.55 0.00 -1.08 -5.03 105.19 107.92 1n4i n GLY 61 Ca 0.38 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.84 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 6.46 3.93 -0.01 0.00 2.20 -1.22 0.13 119.74 131.22 1n4i s LYS 63 Ca 1.21 -0.34 0.05 0.00 -0.36 0.00 0.00 55.97 56.53 1n4i s LYS 63 Cb -1.44 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 31.35 1n4i s LYS 63 CO 0.62 -0.07 -0.15 0.42 -0.36 0.00 0.00 175.35 175.82 1n4i s ILE 64 N 1.39 1.19 -0.16 5.43 1.09 -1.11 -4.56 121.20 124.46 1n4i s ILE 64 Ca 0.07 -0.64 -0.04 0.00 -1.10 0.00 0.00 60.65 58.93 1n4i s ILE 64 Cb -0.15 -0.99 0.07 0.00 -1.06 0.00 0.00 42.46 40.33 1n4i s ILE 64 CO 0.07 0.34 0.17 -0.94 -0.10 0.00 0.00 174.94 174.47 1n4i s SER 65 N -0.34 1.50 -0.43 3.58 1.04 -1.26 -2.19 113.70 115.60 1n4i s SER 65 Ca 0.05 -0.20 -0.29 0.00 0.48 0.00 0.00 55.95 56.00 1n4i s SER 65 Cb -0.06 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.28 1n4i s SER 65 CO -0.01 -0.31 0.62 0.41 0.98 0.00 0.00 173.24 174.93 1n4i n THR 66 N 5.31 -6.86 -3.90 2.02 -1.04 -1.21 -3.43 114.28 105.16 1n4i n THR 66 Ca -0.06 0.44 -0.14 0.00 -2.04 0.00 0.00 64.05 62.26 1n4i n THR 66 Cb 0.49 -5.08 -0.15 0.00 -1.82 0.00 0.00 70.33 63.78 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 0.30 4.89 0.28 0.00 1.09 -1.26 -0.10 121.20 126.40 1n4i s ILE 68 Ca -0.03 -1.89 0.02 0.00 -1.10 0.00 0.00 60.65 57.65 1n4i s ILE 68 Cb -0.04 -4.77 -0.03 0.00 -1.06 0.00 0.00 42.46 36.55 1n4i s ILE 68 CO -0.01 -1.48 0.46 -0.63 -0.10 0.00 0.00 174.94 173.18 1n4i s ILE 69 N 2.17 5.17 -0.30 2.92 1.01 0.85 -1.67 121.20 131.35 1n4i s ILE 69 Ca 0.33 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 1n4i s ILE 69 Cb -0.05 -3.83 0.19 0.00 0.01 0.00 0.00 42.46 38.78 1n4i s ILE 69 CO -0.08 -0.40 0.80 -0.89 0.00 0.00 0.00 174.94 174.37 1n4i s THR 70 N -2.11 -0.69 0.00 2.92 2.01 -0.08 -3.15 115.64 114.54 1n4i s THR 70 Ca 0.38 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1n4i s THR 70 Cb -0.10 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1n4i s THR 70 CO 0.32 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 1n4i n GLY 71 N 5.39 0.92 2.26 4.40 0.00 0.19 -3.63 105.19 114.73 1n4i n GLY 71 Ca -0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.70 0.97 3.00 -0.02 0.00 -0.86 -4.21 105.19 103.36 1n4i n GLY 72 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.35 1.44 0.28 1.61 -7.23 -1.24 -4.20 120.40 108.70 1n4i s VAL 73 Ca 0.00 -0.56 -0.29 0.00 -1.81 0.00 0.00 61.98 59.32 1n4i s VAL 73 Cb 0.00 -1.36 -0.09 0.00 0.56 0.00 0.00 36.38 35.48 1n4i s VAL 73 CO 0.00 0.44 1.00 -2.16 -0.31 0.00 0.00 175.10 174.07 1n4i s PRO 74 N 1.46 4.70 -0.05 4.82 0.04 -1.26 -0.90 135.00 143.81 1n4i s PRO 74 Ca 0.03 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.51 1n4i s PRO 74 Cb -0.13 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 1n4i s PRO 74 CO -0.09 0.34 0.33 0.00 0.04 0.00 0.00 177.00 177.62 1n4i s ALA 75 N -1.27 3.73 -0.99 8.56 0.00 -0.67 -4.92 121.76 126.19 1n4i s ALA 75 Ca 0.45 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.86 1n4i s ALA 75 Cb -0.27 -2.29 -0.10 0.00 0.00 0.00 0.00 23.12 20.47 1n4i s ALA 75 CO 0.33 0.46 2.00 -0.35 0.00 0.00 0.00 175.76 178.21 1n4i n PRO 76 N 2.10 1.91 -3.17 0.00 -0.04 -1.26 -4.46 135.00 130.07 1n4i n PRO 76 Ca -0.15 -2.11 -0.20 0.00 -0.04 0.00 0.00 63.50 61.00 1n4i n PRO 76 Cb 0.53 -3.08 0.01 0.00 -0.04 0.00 0.00 33.50 30.92 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 4.59 5.80 0.32 3.54 0.15 -1.26 -4.97 113.70 121.87 1n4i s SER 77 Ca 0.55 -0.10 0.24 0.00 0.70 0.00 0.00 55.95 57.34 1n4i s SER 77 Cb 0.13 -1.15 1.15 0.00 -1.71 0.00 0.00 66.02 64.45 1n4i s SER 77 CO 0.06 -0.64 1.74 0.00 1.20 0.00 0.00 173.24 175.60 1n4i h ALA 78 N 0.63 1.00 0.00 5.45 0.00 -1.94 -3.17 119.26 121.24 1n4i h ALA 78 Ca -0.44 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 1n4i h ALA 78 Cb 1.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1n4i h ALA 78 CO 0.52 0.00 -1.55 0.00 0.00 0.00 0.00 179.25 178.22 1n4i n ALA 79 N -1.81 1.79 -1.60 0.00 0.00 -1.26 -5.00 120.51 112.63 1n4i n ALA 79 Ca 0.00 -0.45 -0.57 0.00 0.00 0.00 0.00 53.44 52.42 1n4i n ALA 79 Cb 0.14 0.21 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 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 2.87 0.58 0.00 0.00 0.00 -1.22 -4.67 118.16 115.72 1n4i n LYS 81 Ca 0.22 -0.69 0.00 0.00 -0.00 0.00 0.00 58.31 57.84 1n4i n LYS 81 Cb 0.12 -0.13 0.00 0.00 -0.00 0.00 0.00 35.03 35.02 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 -1.61 0.00 -3.48 0.58 0.13 -1.26 -4.92 119.36 108.80 1n4i n ILE 82 Ca 0.04 0.00 -0.42 0.00 -1.10 0.00 0.00 62.75 61.27 1n4i n ILE 82 Cb 0.14 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.90 1n4i n ILE 82 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 1n4i s SER 83 N 0.00 6.33 0.00 9.51 0.01 -1.26 -4.61 113.70 123.68 1n4i s SER 83 Ca 0.00 -3.02 0.00 0.00 1.31 0.00 0.00 55.95 54.24 1n4i s SER 83 Cb 0.00 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1n4i s SER 83 CO 0.00 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1n4i n GLY 84 N 3.41 0.59 3.78 3.44 0.00 -1.26 -4.60 105.19 110.55 1n4i n GLY 84 Ca 0.15 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.33 0.00 0.12 0.00 -1.32 -1.26 -5.03 115.64 104.81 1n4i s THR 86 Ca 0.12 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.68 1n4i s THR 86 Cb -0.02 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.93 1n4i s THR 86 CO 0.03 0.00 -0.19 -0.36 -2.21 0.00 0.00 174.62 171.89 1n4i s PHE 87 N -2.26 1.70 -0.08 9.09 0.08 -1.25 -4.05 117.98 121.22 1n4i s PHE 87 Ca 0.10 -0.45 0.20 0.00 0.12 0.00 0.00 56.93 56.90 1n4i s PHE 87 Cb -0.01 -0.91 0.41 0.00 -0.57 0.00 0.00 43.02 41.94 1n4i s PHE 87 CO -0.04 0.21 1.18 0.45 -0.10 0.00 0.00 175.22 176.92 1n4i n SER 88 N 0.87 1.24 -3.06 1.36 2.88 -1.08 -4.73 113.62 111.10 1n4i n SER 88 Ca -0.18 -2.69 -0.14 0.00 -1.33 0.00 0.00 58.87 54.53 1n4i n SER 88 Cb 0.55 -0.38 0.01 0.00 -0.75 0.00 0.00 64.21 63.64 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 -0.13 -2.76 0.87 -1.46 0.00 -1.26 -4.55 120.51 111.22 1n4i n ALA 89 Ca 0.11 0.62 0.07 0.00 0.00 0.00 0.00 53.44 54.24 1n4i n ALA 89 Cb 0.96 -2.27 0.41 0.00 0.00 0.00 0.00 19.45 18.55 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77