#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 4.23 2.25 0.27 0.00 -1.26 -5.02 105.19 105.66 1n4i n GLY 2 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 5.82 -4.61 1.61 7.64 -1.26 -5.00 113.62 117.83 1n4i n SER 3 Ca 0.00 -3.76 -0.40 0.00 1.01 0.00 0.00 58.87 55.72 1n4i n SER 3 Cb 0.00 -0.59 -0.08 0.00 -1.01 0.00 0.00 64.21 62.53 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 5.18 0.00 -4.42 0.00 -1.04 -1.26 -4.73 114.28 108.00 1n4i n THR 5 Ca -0.06 -0.27 -0.38 0.00 -2.04 0.00 0.00 64.05 61.30 1n4i n THR 5 Cb 0.50 0.83 -0.08 0.00 -1.82 0.00 0.00 70.33 69.76 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 -0.85 -1.10 0.00 8.00 0.23 -1.26 0.33 115.26 120.61 1n4i n ASN 6 Ca 0.00 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.83 1n4i n ASN 6 Cb 0.00 -1.78 0.00 0.00 -2.08 0.00 0.00 39.78 35.92 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 -4.26 0.00 0.03 5.53 -1.04 -1.26 0.27 114.28 113.54 1n4i n THR 7 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1n4i n THR 7 Cb 0.54 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 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 0.00 -0.48 -1.11 8.00 4.05 0.71 -4.87 115.26 121.56 1n4i n ASN 8 Ca 0.00 0.10 0.00 0.00 0.45 0.00 0.00 54.58 55.13 1n4i n ASN 8 Cb 0.00 0.88 0.00 0.00 1.23 0.00 0.00 39.78 41.89 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 -2.60 -1.48 -0.86 1.20 3.41 0.99 -4.90 113.62 109.38 1n4i n SER 9 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1n4i n SER 9 Cb 0.00 -0.74 0.09 0.00 -0.26 0.00 0.00 64.21 63.30 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 0.07 0.66 -1.43 4.33 10.64 -1.26 -5.04 117.38 125.35 1n4i n GLN 10 Ca 0.00 -2.31 -0.46 0.00 -1.83 0.00 0.00 57.00 52.40 1n4i n GLN 10 Cb 0.00 -0.78 -0.13 0.00 -0.86 0.00 0.00 30.24 28.47 1n4i n GLN 10 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1n4i n LEU 11 N -0.34 0.57 -2.76 2.61 7.99 -0.96 -4.60 117.00 119.51 1n4i n LEU 11 Ca 0.10 0.30 -0.07 0.00 -0.01 0.00 0.00 56.01 56.34 1n4i n LEU 11 Cb 0.86 -0.96 -0.02 0.00 -0.11 0.00 0.00 43.42 43.20 1n4i n LEU 11 CO -0.03 -0.77 1.23 -1.20 -1.51 0.00 0.00 177.39 175.11 1n4i n SER 12 N 9.87 1.77 -1.44 -1.43 7.64 0.25 -4.81 113.62 125.48 1n4i n SER 12 Ca 0.61 -1.96 0.07 0.00 1.01 0.00 0.00 58.87 58.59 1n4i n SER 12 Cb 0.04 -0.58 -0.04 0.00 -1.01 0.00 0.00 64.21 62.63 1n4i n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i n ALA 13 N 3.85 -2.54 -0.41 -0.43 0.00 -1.26 -4.26 120.51 115.46 1n4i n ALA 13 Ca 0.15 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1n4i n ALA 13 Cb 0.13 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1n4i n ALA 13 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n4i n ASN 14 N -3.26 0.00 -4.08 0.00 4.05 -1.26 -2.51 115.26 108.20 1n4i n ASN 14 Ca -0.04 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.70 1n4i n ASN 14 Cb 0.50 -0.96 0.20 0.00 1.23 0.00 0.00 39.78 40.75 1n4i n ASN 14 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1n4i s SER 15 N -2.77 2.14 -0.02 1.20 1.04 -1.26 -3.12 113.70 110.90 1n4i s SER 15 Ca 0.00 0.54 -0.30 0.00 0.48 0.00 0.00 55.95 56.68 1n4i s SER 15 Cb 0.00 -0.76 0.07 0.00 0.10 0.00 0.00 66.02 65.43 1n4i s SER 15 CO 0.00 -3.36 0.68 -0.54 0.98 0.00 0.00 173.24 171.00 1n4i s LYS 16 N -5.57 1.07 0.05 4.02 3.01 -0.32 -4.78 119.74 117.22 1n4i s LYS 16 Ca 0.71 0.15 -0.04 0.00 -1.01 0.00 0.00 55.97 55.77 1n4i s LYS 16 Cb -0.08 0.50 0.01 0.00 -1.01 0.00 0.00 37.83 37.26 1n4i s LYS 16 CO 0.54 -0.36 0.20 0.00 0.51 0.00 0.00 175.35 176.25 1n4i n GLU 18 N -0.14 0.00 -2.66 0.00 2.13 -1.26 -4.76 120.64 113.95 1n4i n GLU 18 Ca -0.01 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.78 1n4i n GLU 18 Cb 0.12 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.87 1n4i n GLU 18 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1n4i n LYS 19 N -1.02 0.13 -0.39 5.31 3.00 -1.26 -4.83 118.16 119.10 1n4i n LYS 19 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 58.31 57.65 1n4i n LYS 19 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 35.03 34.97 1n4i n LYS 19 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1n4i n SER 20 N -0.06 0.29 -3.61 3.14 3.41 -1.26 -4.71 113.62 110.82 1n4i n SER 20 Ca -0.18 -0.34 -0.27 0.00 -0.26 0.00 0.00 58.87 57.81 1n4i n SER 20 Cb 0.69 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.54 1n4i n SER 20 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1n4i n THR 21 N -0.29 0.88 -3.04 6.66 -1.04 -1.24 -4.90 114.28 111.31 1n4i n THR 21 Ca 0.00 -4.51 -0.21 0.00 -2.04 0.00 0.00 64.05 57.28 1n4i n THR 21 Cb 0.00 -2.02 0.01 0.00 -1.82 0.00 0.00 70.33 66.50 1n4i n THR 21 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1n4i s LEU 22 N -1.29 3.66 -0.29 -4.42 2.96 -1.20 -2.57 118.68 115.54 1n4i s LEU 22 Ca 0.31 0.09 -0.16 0.00 -0.22 0.00 0.00 54.13 54.15 1n4i s LEU 22 Cb 0.04 -2.99 0.14 0.00 0.50 0.00 0.00 46.19 43.87 1n4i s LEU 22 CO -0.14 -0.71 0.92 -0.89 -1.32 0.00 0.00 176.35 174.20 1n4i s THR 23 N -2.49 -0.07 -1.50 3.68 2.01 -1.23 -4.27 115.64 111.77 1n4i s THR 23 Ca 0.49 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1n4i s THR 23 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1n4i s THR 23 CO 0.36 0.00 0.00 0.59 -0.69 0.00 0.00 174.62 174.88 1n4i n ASN 24 N 3.98 -5.01 -4.90 3.53 3.02 0.76 -2.14 115.26 114.50 1n4i n ASN 24 Ca -0.18 0.11 -0.26 0.00 -0.03 0.00 0.00 54.58 54.21 1n4i n ASN 24 Cb 0.57 -4.22 -0.04 0.00 -0.61 0.00 0.00 39.78 35.48 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 -0.42 0.00 -1.58 0.00 4.01 -1.20 -4.04 117.16 113.93 1n4i n TYR 26 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1n4i n TYR 26 Cb 0.54 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 -2.64 -3.79 -3.65 -0.72 0.31 -1.26 -2.13 118.33 104.45 1n4i n VAL 27 Ca -0.08 1.74 -0.19 0.00 -0.01 0.00 0.00 64.34 65.81 1n4i n VAL 27 Cb 0.58 -2.36 -0.16 0.00 -0.91 0.00 0.00 33.84 30.99 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 -2.88 1.09 -0.90 4.52 -1.08 -1.13 0.87 116.67 117.16 1n4i s ASP 28 Ca 0.00 0.11 -0.06 0.00 -0.52 0.00 0.00 52.55 52.08 1n4i s ASP 28 Cb 0.00 0.11 -0.01 0.00 -1.46 0.00 0.00 42.92 41.56 1n4i s ASP 28 CO 0.00 -0.26 0.73 0.29 0.52 0.00 0.00 175.17 176.45 1n4i n LYS 29 N 5.31 -1.45 -3.66 4.34 5.02 -1.04 -0.59 118.16 126.09 1n4i n LYS 29 Ca -0.04 0.98 -0.14 0.00 -2.02 0.00 0.00 58.31 57.09 1n4i n LYS 29 Cb 0.50 -4.59 -0.07 0.00 -0.02 0.00 0.00 35.03 30.85 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 -3.17 -0.34 -0.23 4.39 0.01 -1.18 0.81 113.70 113.98 1n4i s SER 30 Ca 0.19 0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.66 1n4i s SER 30 Cb -0.05 0.41 0.05 0.00 0.21 0.00 0.00 66.02 66.64 1n4i s SER 30 CO 0.81 -0.58 -0.12 -1.61 0.41 0.00 0.00 173.24 172.15 1n4i s GLU 31 N -1.77 2.32 0.14 12.44 2.02 -1.07 -1.17 118.70 131.61 1n4i s GLU 31 Ca -0.10 -1.13 0.07 0.00 0.02 0.00 0.00 54.97 53.83 1n4i s GLU 31 Cb -0.02 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 1n4i s GLU 31 CO 0.03 -0.47 -0.03 0.08 0.02 0.00 0.00 175.26 174.89 1n4i s VAL 32 N 1.21 3.66 -0.13 2.63 1.01 -1.06 -1.22 120.40 126.51 1n4i s VAL 32 Ca -0.04 -1.31 0.20 0.00 0.00 0.00 0.00 61.98 60.82 1n4i s VAL 32 Cb -0.18 -2.79 0.40 0.00 0.00 0.00 0.00 36.38 33.81 1n4i s VAL 32 CO -0.07 -0.01 1.17 -1.22 0.00 0.00 0.00 175.10 174.97 1n4i n TYR 33 N 0.23 0.21 0.00 5.22 4.01 -1.21 -4.27 117.16 121.33 1n4i n TYR 33 Ca -0.11 -1.22 0.00 0.00 -0.16 0.00 0.00 57.90 56.41 1n4i n TYR 33 Cb 0.54 0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 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 -0.19 0.00 3.66 2.72 0.00 -1.23 -3.44 105.19 106.71 1n4i n GLY 34 Ca -0.01 0.00 -0.37 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 0.00 5.28 -0.89 2.61 2.01 -1.22 -1.77 115.64 121.66 1n4i s THR 35 Ca 0.00 0.42 -0.08 0.00 0.31 0.00 0.00 61.69 62.34 1n4i s THR 35 Cb 0.00 -3.61 -0.17 0.00 0.01 0.00 0.00 72.50 68.73 1n4i s THR 35 CO 0.00 0.30 3.26 0.41 -0.69 0.00 0.00 174.62 177.90 1n4i n THR 36 N 4.35 3.73 -1.47 -0.82 -1.04 -1.14 -3.23 114.28 114.65 1n4i n THR 36 Ca -0.12 -2.09 -0.43 0.00 -2.04 0.00 0.00 64.05 59.37 1n4i n THR 36 Cb 0.52 -2.34 -0.00 0.00 -1.82 0.00 0.00 70.33 66.68 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 -0.50 0.82 0.00 0.00 5.66 -1.25 -3.48 114.28 115.52 1n4i n THR 38 Ca 0.12 -0.83 0.00 0.00 -3.05 0.00 0.00 64.05 60.29 1n4i n THR 38 Cb 0.36 0.58 0.00 0.00 -1.55 0.00 0.00 70.33 69.72 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 -0.42 0.51 0.00 1.09 0.00 -0.91 -4.87 105.19 100.59 1n4i n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1n4i n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n4i n SER 40 N 0.00 1.76 -3.72 1.61 7.64 -1.24 -4.91 113.62 114.77 1n4i n SER 40 Ca 0.00 -0.77 -0.09 0.00 1.01 0.00 0.00 58.87 59.01 1n4i n SER 40 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1n4i n SER 40 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1n4i s ARG 41 N -1.32 1.52 0.11 1.43 3.52 -1.26 -3.25 118.95 119.70 1n4i s ARG 41 Ca 0.00 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 1n4i s ARG 41 Cb 0.00 0.57 -0.00 0.00 -1.56 0.00 0.00 34.95 33.96 1n4i s ARG 41 CO 0.00 -0.67 0.01 1.19 -0.81 0.00 0.00 175.30 175.01 1n4i n PHE 42 N -0.40 0.23 -2.68 5.12 3.72 -1.26 -3.46 117.46 118.73 1n4i n PHE 42 Ca -0.09 -0.58 -0.05 0.00 -0.05 0.00 0.00 57.45 56.68 1n4i n PHE 42 Cb 0.62 -0.06 0.06 0.00 -0.94 0.00 0.00 39.48 39.15 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 -1.23 -1.51 0.00 4.37 -0.08 -1.07 -2.83 116.55 114.20 1n4i n ASP 43 Ca -0.04 -2.06 0.00 0.00 -1.51 0.00 0.00 54.79 51.17 1n4i n ASP 43 Cb 0.15 0.98 0.00 0.00 2.34 0.00 0.00 41.12 44.58 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 -0.59 0.90 0.00 0.27 0.00 0.24 -3.76 105.19 102.25 1n4i n GLY 44 Ca -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.07 -1.11 118.33 116.42 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 -1.65 3.34 -1.04 -0.57 -2.58 114.28 111.78 1n4i n THR 46 Ca 0.00 -1.43 -0.29 0.00 -2.04 0.00 0.00 64.05 60.29 1n4i n THR 46 Cb 0.00 1.28 0.14 0.00 -1.82 0.00 0.00 70.33 69.93 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 0.23 1.97 0.00 12.58 2.07 -0.35 -3.66 121.20 134.03 1n4i s ILE 47 Ca 0.21 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 1n4i s ILE 47 Cb 0.32 -2.83 0.00 0.00 0.13 0.00 0.00 42.46 40.08 1n4i s ILE 47 CO -0.07 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.31 1n4i n THR 48 N -3.75 0.00 -1.84 4.00 -2.24 -1.15 -3.36 114.28 105.94 1n4i n THR 48 Ca 0.09 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.65 1n4i n THR 48 Cb 0.60 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.74 1n4i n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1n4i s THR 49 N 2.71 3.29 0.04 4.28 2.01 -1.22 -3.37 115.64 123.37 1n4i s THR 49 Ca 0.00 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.57 1n4i s THR 49 Cb 0.00 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 1n4i s THR 49 CO 0.00 -0.54 -0.08 -0.55 -0.69 0.00 0.00 174.62 172.77 1n4i s SER 50 N 7.80 0.84 -0.20 3.53 0.15 -0.73 -3.18 113.70 121.91 1n4i s SER 50 Ca 0.76 -0.48 -0.15 0.00 0.70 0.00 0.00 55.95 56.78 1n4i s SER 50 Cb -0.04 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1n4i s SER 50 CO 0.14 -0.16 0.34 -0.89 1.20 0.00 0.00 173.24 173.87 1n4i s THR 51 N -1.19 5.24 -0.24 6.45 2.01 0.76 -2.88 115.64 125.79 1n4i s THR 51 Ca -0.08 0.60 -0.03 0.00 0.31 0.00 0.00 61.69 62.49 1n4i s THR 51 Cb -0.09 -3.68 0.08 0.00 0.01 0.00 0.00 72.50 68.82 1n4i s THR 51 CO 0.00 0.30 0.09 -0.55 -0.69 0.00 0.00 174.62 173.77 1n4i s SER 52 N 0.92 3.18 -0.55 3.53 0.15 -1.17 0.04 113.70 119.79 1n4i s SER 52 Ca 0.17 -1.07 -0.19 0.00 0.70 0.00 0.00 55.95 55.57 1n4i s SER 52 Cb -0.14 -0.49 0.08 0.00 -1.71 0.00 0.00 66.02 63.77 1n4i s SER 52 CO 0.07 -0.38 0.64 -0.89 1.20 0.00 0.00 173.24 173.88 1n4i s THR 53 N 1.95 4.89 -0.26 6.45 2.01 -0.89 -4.19 115.64 125.60 1n4i s THR 53 Ca 0.05 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 1n4i s THR 53 Cb -0.17 -4.38 0.01 0.00 0.01 0.00 0.00 72.50 67.97 1n4i s THR 53 CO -0.20 -0.95 0.06 0.61 -0.69 0.00 0.00 174.62 173.45 1n4i n GLY 54 N 5.23 -4.51 3.51 4.40 0.00 -1.26 0.27 105.19 112.83 1n4i n GLY 54 Ca -0.09 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.32 -0.78 -0.41 1.61 1.04 -1.26 -0.13 113.70 112.45 1n4i s SER 55 Ca -0.07 1.09 -0.28 0.00 0.48 0.00 0.00 55.95 57.17 1n4i s SER 55 Cb 0.00 1.84 0.02 0.00 0.10 0.00 0.00 66.02 67.99 1n4i s SER 55 CO 0.75 -0.15 1.06 -0.60 0.98 0.00 0.00 173.24 175.28 1n4i s ARG 56 N 2.50 3.83 -0.03 4.02 3.00 -1.26 -4.34 118.95 126.65 1n4i s ARG 56 Ca -0.04 0.68 0.09 0.00 -1.00 0.00 0.00 55.73 55.45 1n4i s ARG 56 Cb -0.08 -3.84 0.31 0.00 0.00 0.00 0.00 34.95 31.34 1n4i s ARG 56 CO -0.18 -1.15 1.17 -0.89 0.00 0.00 0.00 175.30 174.26 1n4i n ILE 57 N 6.36 0.68 -1.43 4.11 2.08 -1.23 -3.32 119.36 126.61 1n4i n ILE 57 Ca 0.11 -0.49 -0.46 0.00 0.56 0.00 0.00 62.75 62.47 1n4i n ILE 57 Cb 0.48 0.01 -0.02 0.00 -0.75 0.00 0.00 39.64 39.36 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 0.38 -0.87 0.00 4.38 7.64 -1.26 -4.52 113.62 119.37 1n4i n SER 58 Ca 0.11 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1n4i n SER 58 Cb 0.40 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 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 1.86 1.24 2.29 0.23 0.00 -1.25 -4.56 105.19 105.00 1n4i n GLY 59 Ca 0.15 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.06 2.45 0.00 1.61 -0.04 -1.26 -3.35 135.00 134.35 1n4i n PRO 60 Ca 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 1n4i n PRO 60 Cb 0.00 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 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 3.21 1.86 3.20 0.55 0.00 -0.80 -5.08 105.19 108.13 1n4i n GLY 61 Ca 0.52 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.97 0.32 0.12 0.00 2.20 -1.26 -1.51 119.74 118.63 1n4i s LYS 63 Ca 0.57 -0.11 0.09 0.00 -0.36 0.00 0.00 55.97 56.16 1n4i s LYS 63 Cb -0.60 -0.68 -0.04 0.00 -1.51 0.00 0.00 37.83 35.00 1n4i s LYS 63 CO 0.61 -1.00 -0.18 0.42 -0.36 0.00 0.00 175.35 174.84 1n4i s ILE 64 N 2.36 2.86 -0.09 5.43 1.01 -1.24 -4.63 121.20 126.90 1n4i s ILE 64 Ca 0.09 -1.49 -0.03 0.00 0.00 0.00 0.00 60.65 59.22 1n4i s ILE 64 Cb -0.14 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.07 1n4i s ILE 64 CO -0.32 0.10 0.13 -0.44 0.00 0.00 0.00 174.94 174.42 1n4i s SER 65 N -2.13 1.09 -0.42 3.58 0.01 -1.26 -2.93 113.70 111.63 1n4i s SER 65 Ca 0.18 0.11 -0.21 0.00 1.31 0.00 0.00 55.95 57.33 1n4i s SER 65 Cb -0.11 0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.26 1n4i s SER 65 CO 0.10 -0.26 0.58 0.41 0.41 0.00 0.00 173.24 174.48 1n4i n THR 66 N 5.31 -9.08 -3.89 1.44 -1.04 -1.19 -3.44 114.28 102.38 1n4i n THR 66 Ca -0.04 0.71 -0.17 0.00 -2.04 0.00 0.00 64.05 62.50 1n4i n THR 66 Cb 0.50 -6.22 -0.16 0.00 -1.82 0.00 0.00 70.33 62.63 1n4i n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4i n ILE 68 N 4.26 0.13 0.00 0.00 -0.00 -1.25 0.27 119.36 122.77 1n4i n ILE 68 Ca -0.24 -0.13 0.00 0.00 -0.00 0.00 0.00 62.75 62.38 1n4i n ILE 68 Cb 0.50 0.06 0.00 0.00 -0.00 0.00 0.00 39.64 40.20 1n4i n ILE 68 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1n4i n ILE 69 N -0.23 0.00 -3.37 1.39 5.41 0.11 -4.44 119.36 118.22 1n4i n ILE 69 Ca 0.04 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.64 1n4i n ILE 69 Cb 0.09 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.93 1n4i n ILE 69 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1n4i s THR 70 N 0.00 -0.47 0.00 1.39 2.01 0.13 -2.09 115.64 116.61 1n4i s THR 70 Ca 0.00 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1n4i s THR 70 Cb 0.00 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1n4i s THR 70 CO 0.00 -0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.15 1n4i n GLY 71 N 5.33 1.06 2.35 4.40 0.00 0.75 -3.87 105.19 115.21 1n4i n GLY 71 Ca -0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.39 0.53 3.27 -0.02 0.00 0.81 -4.21 105.19 105.19 1n4i n GLY 72 Ca 0.00 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.83 2.02 0.31 1.61 -7.23 -1.25 -4.32 120.40 109.72 1n4i s VAL 73 Ca 0.00 -1.06 -0.28 0.00 -1.81 0.00 0.00 61.98 58.83 1n4i s VAL 73 Cb 0.00 -1.70 -0.09 0.00 0.56 0.00 0.00 36.38 35.14 1n4i s VAL 73 CO 0.00 0.56 1.05 -2.16 -0.31 0.00 0.00 175.10 174.24 1n4i s PRO 74 N -0.27 4.53 0.48 4.82 0.04 -1.26 0.21 135.00 143.55 1n4i s PRO 74 Ca -0.00 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.69 1n4i s PRO 74 Cb -0.13 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.45 1n4i s PRO 74 CO 0.02 0.16 0.69 0.00 0.04 0.00 0.00 177.00 177.92 1n4i s ALA 75 N -1.35 3.95 -0.98 8.56 0.00 -1.26 -4.84 121.76 125.84 1n4i s ALA 75 Ca 0.48 -1.29 -0.21 0.00 0.00 0.00 0.00 51.96 50.94 1n4i s ALA 75 Cb -0.27 -2.01 -0.10 0.00 0.00 0.00 0.00 23.12 20.73 1n4i s ALA 75 CO 0.34 -0.51 1.95 -0.35 0.00 0.00 0.00 175.76 177.19 1n4i n PRO 76 N -2.14 1.80 -3.91 0.00 -0.04 -1.26 -4.76 135.00 124.69 1n4i n PRO 76 Ca 0.05 -2.17 -0.35 0.00 -0.04 0.00 0.00 63.50 60.99 1n4i n PRO 76 Cb 0.59 -3.19 -0.14 0.00 -0.04 0.00 0.00 33.50 30.73 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 5.07 4.91 0.26 3.54 0.15 -1.26 -4.94 113.70 121.43 1n4i s SER 77 Ca 0.58 -1.49 0.18 0.00 0.70 0.00 0.00 55.95 55.92 1n4i s SER 77 Cb 0.10 -1.71 0.95 0.00 -1.71 0.00 0.00 66.02 63.65 1n4i s SER 77 CO 0.10 -0.31 1.54 0.00 1.20 0.00 0.00 173.24 175.76 1n4i n ALA 78 N 4.57 1.06 0.57 5.45 0.00 -1.26 -0.44 120.51 130.46 1n4i n ALA 78 Ca -0.10 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.61 1n4i n ALA 78 Cb 0.43 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.73 3.55 -1.40 0.00 0.00 -1.26 -4.94 120.51 114.73 1n4i n ALA 79 Ca -0.01 -0.45 -0.31 0.00 0.00 0.00 0.00 53.44 52.67 1n4i n ALA 79 Cb 0.03 -0.91 0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 -4.99 1.29 -0.39 0.00 0.00 -1.22 -4.92 119.74 109.50 1n4i s LYS 81 Ca 0.60 -1.41 0.08 0.00 0.00 0.00 0.00 55.97 55.24 1n4i s LYS 81 Cb -0.16 -1.38 0.25 0.00 0.00 0.00 0.00 37.83 36.54 1n4i s LYS 81 CO 0.56 0.28 0.53 -0.89 0.00 0.00 0.00 175.35 175.83 1n4i n ILE 82 N 0.33 -0.70 -3.64 3.79 2.08 -1.26 -4.70 119.36 115.26 1n4i n ILE 82 Ca -0.13 -3.89 -0.28 0.00 0.56 0.00 0.00 62.75 59.01 1n4i n ILE 82 Cb 0.57 -1.81 -0.16 0.00 -0.75 0.00 0.00 39.64 37.48 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 -1.14 2.98 -0.22 4.38 0.01 -1.26 -4.84 113.70 113.61 1n4i s SER 83 Ca 0.35 -0.95 -0.00 0.00 1.31 0.00 0.00 55.95 56.66 1n4i s SER 83 Cb 0.17 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1n4i s SER 83 CO -0.12 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1n4i n GLY 84 N 5.16 0.27 3.55 3.44 0.00 -1.26 -4.49 105.19 111.86 1n4i n GLY 84 Ca -0.07 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.81 0.00 0.39 0.00 -1.32 -1.26 -5.06 115.64 105.57 1n4i s THR 86 Ca 0.28 -0.02 0.06 0.00 -1.21 0.00 0.00 61.69 60.81 1n4i s THR 86 Cb -0.01 -1.12 -0.08 0.00 -1.51 0.00 0.00 72.50 69.77 1n4i s THR 86 CO 0.19 0.00 0.02 -0.36 -2.21 0.00 0.00 174.62 172.26 1n4i s PHE 87 N -2.24 2.40 0.00 9.09 0.08 -1.26 -4.37 117.98 121.68 1n4i s PHE 87 Ca 0.11 -0.73 0.02 0.00 0.12 0.00 0.00 56.93 56.46 1n4i s PHE 87 Cb -0.00 -1.67 0.04 0.00 -0.57 0.00 0.00 43.02 40.81 1n4i s PHE 87 CO -0.04 0.36 0.80 0.45 -0.10 0.00 0.00 175.22 176.69 1n4i n SER 88 N -0.91 -0.31 -3.33 1.36 2.88 -1.21 -4.83 113.62 107.27 1n4i n SER 88 Ca -0.04 -1.57 -0.28 0.00 -1.33 0.00 0.00 58.87 55.65 1n4i n SER 88 Cb 0.67 0.07 0.03 0.00 -0.75 0.00 0.00 64.21 64.23 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 0.04 -2.55 1.61 -1.46 0.00 -1.25 -4.52 120.51 112.38 1n4i n ALA 89 Ca -0.11 0.52 0.13 0.00 0.00 0.00 0.00 53.44 53.98 1n4i n ALA 89 Cb 0.65 -2.54 0.76 0.00 0.00 0.00 0.00 19.45 18.33 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77