#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 -2.90 2.48 0.27 0.00 -1.26 -4.94 105.19 98.83 1n4i n GLY 2 Ca 0.00 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 1n4i n GLY 2 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1n4i n SER 3 N -0.32 3.90 -3.96 1.61 2.88 -1.26 -5.00 113.62 111.47 1n4i n SER 3 Ca 0.00 -3.44 -0.27 0.00 -1.33 0.00 0.00 58.87 53.83 1n4i n SER 3 Cb 0.00 -0.46 0.19 0.00 -0.75 0.00 0.00 64.21 63.18 1n4i n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i n THR 5 N -4.64 0.10 -3.41 0.00 -1.04 -1.26 -4.83 114.28 99.19 1n4i n THR 5 Ca 0.04 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.05 61.78 1n4i n THR 5 Cb 0.53 1.32 0.00 0.00 -1.82 0.00 0.00 70.33 70.37 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 -0.05 -6.38 0.00 8.00 4.05 -1.26 -0.63 115.26 118.99 1n4i n ASN 6 Ca 0.00 -0.52 0.00 0.00 0.45 0.00 0.00 54.58 54.51 1n4i n ASN 6 Cb 0.34 -3.63 0.00 0.00 1.23 0.00 0.00 39.78 37.72 1n4i n ASN 6 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1n4i n THR 7 N -2.28 0.00 0.00 -0.44 -2.24 -1.26 -3.31 114.28 104.75 1n4i n THR 7 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1n4i n THR 7 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1n4i n THR 7 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1n4i n ASN 8 N 0.69 0.00 0.00 3.42 2.85 -1.00 -4.97 115.26 116.25 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 -1.20 -2.11 0.00 0.00 177.26 173.95 1n4i n SER 9 N 0.00 0.00 0.00 1.20 7.64 0.20 -4.73 113.62 117.93 1n4i n SER 9 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1n4i n SER 9 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1n4i n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i n GLN 10 N 0.00 0.00 -3.04 1.43 10.64 -1.26 -4.98 117.38 120.17 1n4i n GLN 10 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 1n4i n GLN 10 Cb 0.00 -0.65 -0.01 0.00 -0.86 0.00 0.00 30.24 28.73 1n4i n GLN 10 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1n4i n LEU 11 N -2.07 -4.73 -3.80 2.61 7.94 -1.19 -4.72 117.00 111.05 1n4i n LEU 11 Ca 0.00 0.99 -0.35 0.00 -1.11 0.00 0.00 56.01 55.54 1n4i n LEU 11 Cb 0.22 -1.86 0.01 0.00 0.53 0.00 0.00 43.42 42.32 1n4i n LEU 11 CO 0.00 -2.59 -0.58 -1.54 -1.11 0.00 0.00 177.39 171.57 1n4i n SER 12 N 1.98 -3.29 0.28 1.96 3.41 0.61 -4.74 113.62 113.83 1n4i n SER 12 Ca -0.05 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.29 1n4i n SER 12 Cb 0.22 -0.76 0.84 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.01 1.41 -0.39 7.33 0.00 -1.88 -1.65 119.26 124.08 1n4i h ALA 13 Ca -0.37 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1n4i h ALA 13 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1n4i h ALA 13 CO 0.37 0.06 0.00 0.27 0.00 0.00 0.00 179.25 179.96 1n4i n ASN 14 N -3.75 3.23 -3.54 0.00 6.94 -1.26 -4.60 115.26 112.28 1n4i n ASN 14 Ca -0.02 -1.93 0.00 0.00 -0.02 0.00 0.00 54.58 52.61 1n4i n ASN 14 Cb 0.15 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 1n4i n ASN 14 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1n4i n SER 15 N 1.19 0.00 -3.97 0.53 2.88 -0.62 -4.79 113.62 108.84 1n4i n SER 15 Ca 0.17 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.62 1n4i n SER 15 Cb 0.53 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.36 0.00 -1.46 2.47 -1.14 -4.85 119.74 115.11 1n4i s LYS 16 Ca 0.00 -0.62 0.00 0.00 -1.56 0.00 0.00 55.97 53.79 1n4i s LYS 16 Cb 0.00 0.13 0.00 0.00 -1.46 0.00 0.00 37.83 36.50 1n4i s LYS 16 CO 0.00 -0.06 0.00 0.00 0.16 0.00 0.00 175.35 175.45 1n4i n GLU 18 N 0.00 0.00 -2.03 0.00 1.02 -1.26 -4.13 120.64 114.24 1n4i n GLU 18 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1n4i n GLU 18 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1n4i n GLU 18 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1n4i s LYS 19 N 0.00 4.21 0.00 3.49 2.47 -1.26 -4.92 119.74 123.73 1n4i s LYS 19 Ca 0.00 2.19 0.00 0.00 -1.56 0.00 0.00 55.97 56.60 1n4i s LYS 19 Cb 0.00 -3.71 0.00 0.00 -1.46 0.00 0.00 37.83 32.66 1n4i s LYS 19 CO 0.00 -0.73 0.00 -1.13 0.16 0.00 0.00 175.35 173.65 1n4i n SER 20 N 6.00 0.00 -2.92 1.43 3.41 -1.08 -4.15 113.62 116.31 1n4i n SER 20 Ca 0.16 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.65 1n4i n SER 20 Cb 0.42 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1n4i n SER 20 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1n4i n THR 21 N -0.20 -0.31 -3.76 6.66 5.66 -1.25 -4.93 114.28 116.15 1n4i n THR 21 Ca 0.00 -1.91 -0.02 0.00 -3.05 0.00 0.00 64.05 59.07 1n4i n THR 21 Cb 0.00 0.30 -0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1n4i n THR 21 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n4i n LEU 22 N 2.43 0.00 -3.58 1.09 -0.00 -1.22 -3.79 117.00 111.93 1n4i n LEU 22 Ca 0.18 -0.18 -0.02 0.00 -0.00 0.00 0.00 56.01 56.00 1n4i n LEU 22 Cb 0.56 0.01 -0.05 0.00 -0.00 0.00 0.00 43.42 43.93 1n4i n LEU 22 CO 0.04 -0.16 0.48 -0.89 -0.00 0.00 0.00 177.39 176.85 1n4i s THR 23 N -0.58 -0.38 -1.51 1.47 2.01 0.78 -4.76 115.64 112.66 1n4i s THR 23 Ca 0.01 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 1n4i s THR 23 Cb -0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1n4i s THR 23 CO 0.01 0.00 0.37 0.59 -0.69 0.00 0.00 174.62 174.90 1n4i n ASN 24 N 4.62 -5.43 -0.70 3.53 4.13 -1.25 -1.77 115.26 118.38 1n4i n ASN 24 Ca -0.15 -0.18 0.00 0.00 1.68 0.00 0.00 54.58 55.93 1n4i n ASN 24 Cb 0.54 -4.45 0.00 0.00 -1.54 0.00 0.00 39.78 34.33 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 0.00 0.00 -2.12 0.00 4.01 -1.15 -4.65 117.16 113.25 1n4i n TYR 26 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 1n4i n TYR 26 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1n4i n TYR 26 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1n4i s VAL 27 N 0.00 2.73 0.00 -0.72 1.01 -1.26 -3.34 120.40 118.81 1n4i s VAL 27 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1n4i s VAL 27 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1n4i s VAL 27 CO 0.00 0.16 0.00 -0.67 0.00 0.00 0.00 175.10 174.59 1n4i n ASP 28 N 0.70 1.71 0.00 3.32 2.03 -1.19 0.23 116.55 123.34 1n4i n ASP 28 Ca 0.01 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.06 1n4i n ASP 28 Cb 0.42 0.85 0.00 0.00 -0.72 0.00 0.00 41.12 41.67 1n4i n ASP 28 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1n4i n LYS 29 N -1.02 0.00 -3.82 -0.67 5.02 -1.26 -4.61 118.16 111.81 1n4i n LYS 29 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1n4i n LYS 29 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 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 0.00 -0.06 -0.45 4.39 0.01 -1.26 0.23 113.70 116.56 1n4i s SER 30 Ca 0.00 -0.13 -0.08 0.00 1.31 0.00 0.00 55.95 57.04 1n4i s SER 30 Cb 0.00 0.27 0.11 0.00 0.21 0.00 0.00 66.02 66.61 1n4i s SER 30 CO 0.00 -0.45 0.31 -0.70 0.41 0.00 0.00 173.24 172.80 1n4i s GLU 31 N -1.69 2.46 0.51 12.44 2.12 -0.90 -2.91 118.70 130.74 1n4i s GLU 31 Ca -0.12 -1.70 0.08 0.00 0.36 0.00 0.00 54.97 53.60 1n4i s GLU 31 Cb -0.05 -3.85 0.05 0.00 0.26 0.00 0.00 34.13 30.54 1n4i s GLU 31 CO 0.01 -1.12 0.71 0.08 -0.54 0.00 0.00 175.26 174.39 1n4i s VAL 32 N 1.35 2.55 0.00 3.70 1.01 -1.25 -2.06 120.40 125.70 1n4i s VAL 32 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1n4i s VAL 32 Cb -0.25 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1n4i s VAL 32 CO -0.00 0.00 0.00 -1.22 0.00 0.00 0.00 175.10 173.88 1n4i n TYR 33 N -2.11 0.00 -1.85 5.22 4.01 -0.49 -4.75 117.16 117.19 1n4i n TYR 33 Ca 0.12 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.82 1n4i n TYR 33 Cb 0.60 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.60 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 0.06 0.44 3.78 2.72 0.00 0.66 -2.65 105.19 110.20 1n4i n GLY 34 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.89 -1.30 2.61 2.01 0.05 -3.98 115.64 118.93 1n4i s THR 35 Ca 0.00 1.52 -0.05 0.00 0.31 0.00 0.00 61.69 63.47 1n4i s THR 35 Cb 0.00 -3.82 0.14 0.00 0.01 0.00 0.00 72.50 68.82 1n4i s THR 35 CO 0.00 0.08 2.33 0.41 -0.69 0.00 0.00 174.62 176.75 1n4i n THR 36 N 0.26 5.33 -1.52 -0.82 -1.04 0.14 -3.41 114.28 113.23 1n4i n THR 36 Ca 0.03 -4.48 -0.35 0.00 -2.04 0.00 0.00 64.05 57.22 1n4i n THR 36 Cb 0.49 -2.03 -0.12 0.00 -1.82 0.00 0.00 70.33 66.86 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 7.46 1.81 0.00 0.00 5.66 -1.26 -0.16 114.28 127.80 1n4i n THR 38 Ca 0.57 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1n4i n THR 38 Cb 0.22 -0.95 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 1n4i n THR 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1n4i n GLY 39 N 0.16 1.91 0.00 1.09 0.00 -0.73 -4.82 105.19 102.79 1n4i n GLY 39 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1n4i n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1n4i n SER 40 N 0.00 0.00 -3.60 1.61 2.88 -1.26 -4.80 113.62 108.46 1n4i n SER 40 Ca 0.00 -0.31 -0.12 0.00 -1.33 0.00 0.00 58.87 57.11 1n4i n SER 40 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1n4i n SER 40 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1n4i s ARG 41 N 0.75 0.67 0.13 -1.46 3.52 -1.26 -2.95 118.95 118.35 1n4i s ARG 41 Ca 0.00 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 1n4i s ARG 41 Cb 0.00 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 1n4i s ARG 41 CO 0.00 -0.15 0.01 1.19 -0.81 0.00 0.00 175.30 175.54 1n4i n PHE 42 N 1.62 0.21 -2.67 5.12 3.72 -1.21 -3.84 117.46 120.42 1n4i n PHE 42 Ca -0.13 -0.64 -0.04 0.00 -0.05 0.00 0.00 57.45 56.59 1n4i n PHE 42 Cb 0.57 -0.09 0.07 0.00 -0.94 0.00 0.00 39.48 39.08 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 -1.13 -1.33 0.00 4.37 -0.08 -1.26 -3.16 116.55 113.96 1n4i n ASP 43 Ca -0.05 -1.98 0.00 0.00 -1.51 0.00 0.00 54.79 51.25 1n4i n ASP 43 Cb 0.16 1.16 0.00 0.00 2.34 0.00 0.00 41.12 44.78 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 0.03 0.70 0.00 0.27 0.00 0.63 -3.60 105.19 103.22 1n4i n GLY 44 Ca -0.12 -0.38 0.00 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 -2.92 1.61 0.24 0.12 -2.88 118.33 114.50 1n4i n VAL 45 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1n4i n VAL 45 Cb 0.00 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.41 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 -0.07 -1.95 3.34 -1.04 0.84 -2.12 114.28 113.28 1n4i n THR 46 Ca 0.00 -2.75 -0.28 0.00 -2.04 0.00 0.00 64.05 58.98 1n4i n THR 46 Cb 0.00 0.79 0.19 0.00 -1.82 0.00 0.00 70.33 69.49 1n4i n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4i n ILE 47 N 0.33 0.00 0.00 12.58 3.06 -0.88 -3.17 119.36 131.28 1n4i n ILE 47 Ca 0.14 -1.00 0.00 0.00 -2.50 0.00 0.00 62.75 59.39 1n4i n ILE 47 Cb 0.68 -1.47 0.00 0.00 0.54 0.00 0.00 39.64 39.39 1n4i n ILE 47 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1n4i n THR 48 N -3.69 0.00 -3.49 9.51 -2.24 -1.22 -3.79 114.28 109.36 1n4i n THR 48 Ca 0.16 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.62 1n4i n THR 48 Cb 0.56 -0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.02 2.91 -4.28 4.28 -1.04 -1.26 0.24 114.28 115.11 1n4i n THR 49 Ca 0.00 -5.26 -0.28 0.00 -2.04 0.00 0.00 64.05 56.47 1n4i n THR 49 Cb 0.00 -2.18 -0.10 0.00 -1.82 0.00 0.00 70.33 66.23 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 -1.60 4.19 -0.40 8.00 0.01 -1.26 -3.80 113.70 118.84 1n4i s SER 50 Ca 0.33 -0.53 0.06 0.00 1.31 0.00 0.00 55.95 57.12 1n4i s SER 50 Cb 0.04 -0.70 0.70 0.00 0.21 0.00 0.00 66.02 66.27 1n4i s SER 50 CO -0.05 0.14 1.88 0.41 0.41 0.00 0.00 173.24 176.03 1n4i n THR 51 N 0.37 3.10 -1.45 1.44 -1.04 -1.15 0.25 114.28 115.79 1n4i n THR 51 Ca -0.12 -1.79 -0.51 0.00 -2.04 0.00 0.00 64.05 59.58 1n4i n THR 51 Cb 0.54 -0.44 -0.05 0.00 -1.82 0.00 0.00 70.33 68.57 1n4i n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1n4i n SER 52 N -0.77 -0.61 -3.79 8.00 3.41 0.72 -4.60 113.62 115.99 1n4i n SER 52 Ca 0.53 1.14 -0.29 0.00 -0.26 0.00 0.00 58.87 59.99 1n4i n SER 52 Cb 1.57 -0.97 -0.13 0.00 -0.26 0.00 0.00 64.21 64.42 1n4i n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1n4i s THR 53 N -0.65 1.90 -0.15 6.66 2.01 -1.06 -4.01 115.64 120.34 1n4i s THR 53 Ca 0.73 -3.06 -0.00 0.00 0.31 0.00 0.00 61.69 59.66 1n4i s THR 53 Cb -1.02 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 1n4i s THR 53 CO 0.56 -0.91 0.14 0.61 -0.69 0.00 0.00 174.62 174.33 1n4i n GLY 54 N 3.11 -0.05 2.98 4.40 0.00 -1.25 -3.28 105.19 111.10 1n4i n GLY 54 Ca 0.11 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.54 0.25 -0.64 1.61 1.04 -1.24 -2.55 113.70 109.63 1n4i s SER 55 Ca 0.03 0.51 -0.27 0.00 0.48 0.00 0.00 55.95 56.70 1n4i s SER 55 Cb -0.00 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.65 1n4i s SER 55 CO 0.13 -0.22 1.44 -0.60 0.98 0.00 0.00 173.24 174.97 1n4i s ARG 56 N 2.03 3.14 -0.03 4.02 3.52 -0.04 -4.41 118.95 127.17 1n4i s ARG 56 Ca -0.02 0.21 0.05 0.00 -0.13 0.00 0.00 55.73 55.84 1n4i s ARG 56 Cb -0.12 -4.19 0.20 0.00 -1.56 0.00 0.00 34.95 29.28 1n4i s ARG 56 CO -0.08 -2.16 0.99 -0.89 -0.81 0.00 0.00 175.30 172.35 1n4i n ILE 57 N 6.73 0.52 -0.87 4.11 -0.00 -1.22 -2.95 119.36 125.68 1n4i n ILE 57 Ca 0.10 -0.33 -0.34 0.00 -0.00 0.00 0.00 62.75 62.18 1n4i n ILE 57 Cb 0.50 -0.17 0.09 0.00 -0.00 0.00 0.00 39.64 40.06 1n4i n ILE 57 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1n4i n SER 58 N 0.13 -3.55 0.00 4.38 3.41 -1.26 -4.62 113.62 112.11 1n4i n SER 58 Ca 0.07 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1n4i n SER 58 Cb 0.35 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1n4i n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n4i n GLY 59 N 2.40 3.68 0.00 5.00 0.00 -1.24 -4.44 105.19 110.60 1n4i n GLY 59 Ca 0.02 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.24 0.66 -0.56 1.61 -0.04 -1.26 -3.96 135.00 130.21 1n4i n PRO 60 Ca 0.00 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1n4i n PRO 60 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 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 0.46 -0.36 3.57 0.55 0.00 -1.22 -4.99 105.19 103.21 1n4i n GLY 61 Ca 0.16 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.68 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 5.18 3.57 0.01 0.00 2.20 -1.24 -0.11 119.74 129.34 1n4i s LYS 63 Ca 1.02 -0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 56.05 1n4i s LYS 63 Cb -0.81 -2.82 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 1n4i s LYS 63 CO 0.52 0.25 0.01 0.42 -0.36 0.00 0.00 175.35 176.18 1n4i s ILE 64 N 0.32 0.08 -0.19 5.43 1.01 -1.19 -4.68 121.20 121.99 1n4i s ILE 64 Ca -0.06 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 1n4i s ILE 64 Cb -0.15 -0.24 0.07 0.00 0.01 0.00 0.00 42.46 42.15 1n4i s ILE 64 CO 0.04 -0.38 0.11 -0.94 0.00 0.00 0.00 174.94 173.77 1n4i s SER 65 N -1.14 2.37 -0.72 3.58 1.04 -1.26 -3.40 113.70 114.18 1n4i s SER 65 Ca -0.12 -0.65 -0.05 0.00 0.48 0.00 0.00 55.95 55.61 1n4i s SER 65 Cb -0.08 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.86 1n4i s SER 65 CO -0.00 -0.36 0.65 0.41 0.98 0.00 0.00 173.24 174.92 1n4i n THR 66 N 5.28 -6.96 -3.79 2.02 -1.04 -1.25 -3.53 114.28 105.01 1n4i n THR 66 Ca -0.07 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.05 61.66 1n4i n THR 66 Cb 0.48 -5.06 -0.17 0.00 -1.82 0.00 0.00 70.33 63.77 1n4i n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4i h ILE 68 N 6.48 0.00 -3.08 0.00 5.03 -1.88 -3.06 117.51 121.00 1n4i h ILE 68 Ca -0.18 0.00 0.18 0.00 -0.12 0.00 0.00 64.86 64.74 1n4i h ILE 68 Cb 1.11 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.81 1n4i h ILE 68 CO 0.35 0.00 -0.99 -0.38 -0.68 0.00 0.00 178.15 176.44 1n4i n ILE 69 N -3.08 -1.50 0.00 -0.67 5.41 -1.26 0.26 119.36 118.52 1n4i n ILE 69 Ca -0.01 1.00 0.00 0.00 1.00 0.00 0.00 62.75 64.74 1n4i n ILE 69 Cb 0.06 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.41 1n4i n ILE 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1n4i n THR 70 N -3.38 0.00 -2.28 1.39 -1.04 0.44 -2.55 114.28 106.86 1n4i n THR 70 Ca -0.05 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.62 1n4i n THR 70 Cb 0.52 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.99 1n4i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1n4i s GLY 71 N 0.00 0.76 -1.58 3.41 0.00 -1.21 -3.59 107.32 105.11 1n4i s GLY 71 Ca 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 44.72 42.35 1n4i s GLY 71 CO 0.00 3.20 0.00 0.61 0.00 0.00 0.00 173.10 176.91 1n4i n GLY 72 N 5.83 1.42 3.13 0.20 0.00 -1.06 -4.56 105.19 110.15 1n4i n GLY 72 Ca 0.45 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.26 1.47 -0.03 1.61 -7.23 -1.25 -4.20 120.40 108.51 1n4i s VAL 73 Ca 0.00 -0.72 -0.27 0.00 -1.81 0.00 0.00 61.98 59.18 1n4i s VAL 73 Cb 0.00 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 1n4i s VAL 73 CO 0.00 0.42 0.86 -2.16 -0.31 0.00 0.00 175.10 173.91 1n4i s PRO 74 N 0.16 4.51 0.16 4.82 0.04 -1.26 0.17 135.00 143.59 1n4i s PRO 74 Ca -0.07 1.19 -0.05 0.00 0.04 0.00 0.00 61.00 62.11 1n4i s PRO 74 Cb -0.13 -3.45 -0.05 0.00 0.04 0.00 0.00 34.50 30.90 1n4i s PRO 74 CO 0.03 -0.00 0.39 0.00 0.04 0.00 0.00 177.00 177.46 1n4i s ALA 75 N 0.92 3.78 0.37 8.56 0.00 -1.26 -4.79 121.76 129.35 1n4i s ALA 75 Ca 0.46 -0.58 -0.25 0.00 0.00 0.00 0.00 51.96 51.59 1n4i s ALA 75 Cb -0.20 -2.13 -0.09 0.00 0.00 0.00 0.00 23.12 20.70 1n4i s ALA 75 CO 0.24 0.63 1.10 -1.25 0.00 0.00 0.00 175.76 176.47 1n4i s PRO 76 N -2.75 4.23 0.00 0.00 0.04 -1.26 -4.46 135.00 130.80 1n4i s PRO 76 Ca 0.41 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1n4i s PRO 76 Cb -0.12 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1n4i s PRO 76 CO 0.25 -0.12 0.51 0.45 0.04 0.00 0.00 177.00 178.13 1n4i n SER 77 N 0.24 -0.31 -2.13 6.66 2.88 -1.26 -4.94 113.62 114.77 1n4i n SER 77 Ca 0.03 -1.01 -0.05 0.00 -1.33 0.00 0.00 58.87 56.52 1n4i n SER 77 Cb 0.48 0.09 -0.01 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.00 -0.69 0.00 -1.46 0.00 -1.26 -4.30 120.51 112.79 1n4i n ALA 78 Ca -0.09 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1n4i n ALA 78 Cb 0.45 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.89 0.18 -1.55 0.00 0.00 -1.26 -5.12 120.51 110.87 1n4i n ALA 79 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1n4i n ALA 79 Cb 0.44 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.97 2.90 -0.44 0.00 0.00 -1.23 -4.96 119.74 114.04 1n4i s LYS 81 Ca 0.65 -0.94 0.08 0.00 0.00 0.00 0.00 55.97 55.76 1n4i s LYS 81 Cb -0.55 -2.69 0.32 0.00 0.00 0.00 0.00 37.83 34.92 1n4i s LYS 81 CO 0.56 -0.26 0.99 -0.89 0.00 0.00 0.00 175.35 175.75 1n4i n ILE 82 N -1.93 -0.06 0.00 3.79 2.08 -1.26 -4.89 119.36 117.09 1n4i n ILE 82 Ca 0.04 -2.32 0.00 0.00 0.56 0.00 0.00 62.75 61.03 1n4i n ILE 82 Cb 0.59 0.98 0.00 0.00 -0.75 0.00 0.00 39.64 40.46 1n4i n ILE 82 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1n4i n SER 83 N 0.46 0.00 -4.33 4.38 7.64 -1.26 -4.95 113.62 115.56 1n4i n SER 83 Ca 0.11 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.54 1n4i n SER 83 Cb 0.68 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.87 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 3.05 0.00 0.23 0.00 -1.26 -4.98 107.32 104.36 1n4i s GLY 84 Ca 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 44.72 41.04 1n4i s GLY 84 CO 0.00 1.30 0.00 0.00 0.00 0.00 0.00 173.10 174.40 1n4i s THR 86 N -1.63 0.00 -0.00 0.00 -1.32 -1.26 -5.06 115.64 106.36 1n4i s THR 86 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 1n4i s THR 86 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1n4i s THR 86 CO 0.00 0.00 -0.03 0.49 -2.21 0.00 0.00 174.62 172.87 1n4i n PHE 87 N 1.06 0.00 -1.06 9.09 3.72 -1.15 -3.46 117.46 125.66 1n4i n PHE 87 Ca -0.06 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.32 1n4i n PHE 87 Cb 0.58 -0.05 -0.01 0.00 -0.94 0.00 0.00 39.48 39.06 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 -2.81 -4.51 -2.98 4.37 2.88 -1.26 -0.86 113.62 108.45 1n4i n SER 88 Ca -0.01 0.05 -0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1n4i n SER 88 Cb 0.05 -2.18 -0.00 0.00 -0.75 0.00 0.00 64.21 61.32 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 1.04 -2.51 0.00 -1.46 0.00 -1.26 -4.66 120.51 111.65 1n4i n ALA 89 Ca -0.02 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1n4i n ALA 89 Cb 0.28 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77