#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 0.00 2.52 0.27 0.00 -1.26 -4.32 105.19 102.40 1n4i n GLY 2 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.31 0.00 1.61 7.64 -1.26 -4.46 113.62 115.84 1n4i n SER 3 Ca 0.00 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.58 1n4i n SER 3 Cb 0.00 0.91 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 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 0.00 0.00 -3.48 0.00 -1.04 -1.26 -4.92 114.28 103.57 1n4i n THR 5 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1n4i n THR 5 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1n4i n THR 5 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1n4i n ASN 6 N -0.89 -6.11 -4.00 8.00 4.13 -1.26 0.23 115.26 115.36 1n4i n ASN 6 Ca 0.00 -0.63 -0.31 0.00 1.68 0.00 0.00 54.58 55.33 1n4i n ASN 6 Cb 0.00 -3.43 0.00 0.00 -1.54 0.00 0.00 39.78 34.81 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1n4i n THR 7 N -2.60 -2.11 -2.14 3.41 -1.04 -1.19 -3.41 114.28 105.20 1n4i n THR 7 Ca -0.15 -0.14 -0.03 0.00 -2.04 0.00 0.00 64.05 61.70 1n4i n THR 7 Cb 0.60 -2.53 0.00 0.00 -1.82 0.00 0.00 70.33 66.58 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 -2.82 -4.94 0.00 8.00 2.85 -0.46 -3.52 115.26 114.37 1n4i n ASN 8 Ca -0.04 0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 1n4i n ASN 8 Cb 0.56 -3.15 0.00 0.00 1.24 0.00 0.00 39.78 38.42 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 -0.13 0.00 0.00 1.20 7.64 0.64 -4.38 113.62 118.58 1n4i n SER 9 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1n4i n SER 9 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1n4i n SER 9 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1n4i n GLN 10 N 0.00 0.00 -3.00 1.43 7.27 -1.25 -4.81 117.38 117.02 1n4i n GLN 10 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 1n4i n GLN 10 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1n4i n GLN 10 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1n4i n LEU 11 N 0.00 -5.51 -4.23 1.69 7.94 0.46 -4.72 117.00 112.63 1n4i n LEU 11 Ca 0.00 0.80 -0.36 0.00 -1.11 0.00 0.00 56.01 55.34 1n4i n LEU 11 Cb 0.00 -2.37 0.05 0.00 0.53 0.00 0.00 43.42 41.63 1n4i n LEU 11 CO 0.00 -2.12 -0.66 -1.20 -1.11 0.00 0.00 177.39 172.30 1n4i n SER 12 N 0.91 -3.75 0.00 1.96 7.64 0.25 -4.65 113.62 115.98 1n4i n SER 12 Ca 0.00 0.41 0.06 0.00 1.01 0.00 0.00 58.87 60.35 1n4i n SER 12 Cb 0.31 -0.96 0.26 0.00 -1.01 0.00 0.00 64.21 62.81 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 -2.39 1.58 0.97 -0.43 0.00 -1.26 -1.62 120.51 117.36 1n4i n ALA 13 Ca 0.05 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.55 1n4i n ALA 13 Cb 0.52 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.44 0.86 -3.09 0.00 5.15 -1.26 -4.78 115.26 110.70 1n4i n ASN 14 Ca 0.04 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.22 1n4i n ASN 14 Cb 0.12 0.85 0.00 0.00 -0.53 0.00 0.00 39.78 40.22 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 -1.53 0.00 -3.92 1.20 2.88 -0.64 -4.62 113.62 106.99 1n4i n SER 15 Ca 0.04 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.48 1n4i n SER 15 Cb 0.34 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.68 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 0.27 -0.52 -1.46 2.20 -1.18 -4.78 119.74 114.27 1n4i s LYS 16 Ca 0.00 -0.38 0.03 0.00 -0.36 0.00 0.00 55.97 55.27 1n4i s LYS 16 Cb 0.00 0.10 0.15 0.00 -1.51 0.00 0.00 37.83 36.57 1n4i s LYS 16 CO 0.00 -0.05 0.33 0.00 -0.36 0.00 0.00 175.35 175.26 1n4i s GLU 18 N -0.26 1.30 -0.07 0.00 2.12 -1.26 -4.95 118.70 115.59 1n4i s GLU 18 Ca 0.22 -2.23 -0.05 0.00 0.36 0.00 0.00 54.97 53.27 1n4i s GLU 18 Cb -0.15 -2.12 0.02 0.00 0.26 0.00 0.00 34.13 32.14 1n4i s GLU 18 CO -0.07 -1.27 0.10 1.63 -0.54 0.00 0.00 175.26 175.10 1n4i n LYS 19 N 3.05 -3.36 0.00 4.30 5.02 -1.26 -4.80 118.16 121.12 1n4i n LYS 19 Ca 0.18 2.54 0.00 0.00 -2.02 0.00 0.00 58.31 59.02 1n4i n LYS 19 Cb 0.39 -3.36 0.00 0.00 -0.02 0.00 0.00 35.03 32.04 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 1.99 0.00 -3.20 4.39 2.88 -1.25 -4.30 113.62 114.13 1n4i n SER 20 Ca -0.16 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.27 1n4i n SER 20 Cb 0.25 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.67 1n4i n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n4i s THR 21 N -2.64 -0.55 -0.27 2.46 2.01 -1.00 -4.94 115.64 110.72 1n4i s THR 21 Ca 0.00 -0.98 -0.06 0.00 0.31 0.00 0.00 61.69 60.97 1n4i s THR 21 Cb 0.00 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 72.08 1n4i s THR 21 CO 0.00 -0.40 0.04 -0.76 -0.69 0.00 0.00 174.62 172.80 1n4i s LEU 22 N 1.22 3.51 -0.26 4.42 1.02 -1.26 -1.60 118.68 125.73 1n4i s LEU 22 Ca 0.22 -0.58 -0.09 0.00 0.02 0.00 0.00 54.13 53.70 1n4i s LEU 22 Cb -0.07 -1.83 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 1n4i s LEU 22 CO -0.06 -0.12 0.11 -0.89 0.02 0.00 0.00 176.35 175.40 1n4i s THR 23 N 1.50 4.61 -1.81 5.49 2.01 0.70 -3.16 115.64 124.98 1n4i s THR 23 Ca 0.04 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1n4i s THR 23 Cb -0.16 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.16 1n4i s THR 23 CO 0.01 0.29 0.00 0.59 -0.69 0.00 0.00 174.62 174.82 1n4i n ASN 24 N 4.97 -4.80 -1.94 3.53 4.13 -1.22 -0.34 115.26 119.59 1n4i n ASN 24 Ca -0.15 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1n4i n ASN 24 Cb 0.51 -4.24 0.00 0.00 -1.54 0.00 0.00 39.78 34.51 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 -0.25 -1.87 0.00 4.19 -1.25 -4.54 117.16 113.44 1n4i n TYR 26 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1n4i n TYR 26 Cb 0.00 0.06 0.00 0.00 0.49 0.00 0.00 39.34 39.89 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 -2.08 -7.93 -0.03 2.97 0.31 -1.26 0.17 118.33 110.48 1n4i n VAL 27 Ca 0.00 2.12 -0.00 0.00 -0.01 0.00 0.00 64.34 66.44 1n4i n VAL 27 Cb 0.00 -3.46 -0.07 0.00 -0.91 0.00 0.00 33.84 29.40 1n4i n VAL 27 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1n4i n ASP 28 N 1.64 2.87 -2.70 4.52 2.03 -0.82 0.84 116.55 124.94 1n4i n ASP 28 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 1n4i n ASP 28 Cb 0.00 1.02 0.09 0.00 -0.72 0.00 0.00 41.12 41.51 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 -2.11 0.70 -4.17 -0.67 4.01 -1.26 -4.48 118.16 110.18 1n4i n LYS 29 Ca -0.09 -1.44 -0.15 0.00 -0.51 0.00 0.00 58.31 56.12 1n4i n LYS 29 Cb 0.55 -0.57 -0.11 0.00 -0.51 0.00 0.00 35.03 34.39 1n4i n LYS 29 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1n4i s SER 30 N -0.84 1.46 -0.54 4.39 0.01 -1.26 0.26 113.70 117.18 1n4i s SER 30 Ca 0.20 -0.79 -0.07 0.00 1.31 0.00 0.00 55.95 56.60 1n4i s SER 30 Cb 0.29 0.00 0.14 0.00 0.21 0.00 0.00 66.02 66.66 1n4i s SER 30 CO -0.10 -0.25 0.40 -0.70 0.41 0.00 0.00 173.24 173.00 1n4i s GLU 31 N -2.69 2.55 0.49 12.44 2.12 -0.65 -3.09 118.70 129.87 1n4i s GLU 31 Ca 0.05 -2.06 -0.02 0.00 0.36 0.00 0.00 54.97 53.30 1n4i s GLU 31 Cb -0.04 -3.87 -0.00 0.00 0.26 0.00 0.00 34.13 30.48 1n4i s GLU 31 CO 0.00 -1.18 0.74 0.08 -0.54 0.00 0.00 175.26 174.37 1n4i s VAL 32 N 0.81 3.90 0.00 3.70 1.01 -1.25 -3.12 120.40 125.44 1n4i s VAL 32 Ca 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1n4i s VAL 32 Cb -0.22 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1n4i s VAL 32 CO -0.03 -0.38 0.00 -1.22 0.00 0.00 0.00 175.10 173.47 1n4i n TYR 33 N -2.24 0.00 -2.01 5.22 4.02 -1.19 -4.67 117.16 116.29 1n4i n TYR 33 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.85 1n4i n TYR 33 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.83 1n4i n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n4i n GLY 34 N 0.79 0.55 3.84 2.72 0.00 -1.26 -3.94 105.19 107.89 1n4i n GLY 34 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 4.30 -0.65 2.61 2.01 -1.26 -2.85 115.64 119.81 1n4i s THR 35 Ca 0.01 0.77 0.02 0.00 0.31 0.00 0.00 61.69 62.80 1n4i s THR 35 Cb 0.01 -3.59 0.37 0.00 0.01 0.00 0.00 72.50 69.30 1n4i s THR 35 CO -0.01 -0.96 1.40 0.41 -0.69 0.00 0.00 174.62 174.78 1n4i n THR 36 N -2.90 3.31 -1.38 -0.82 -1.04 0.44 -2.37 114.28 109.51 1n4i n THR 36 Ca 0.07 -5.05 -0.46 0.00 -2.04 0.00 0.00 64.05 56.57 1n4i n THR 36 Cb 0.54 -1.33 -0.14 0.00 -1.82 0.00 0.00 70.33 67.59 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 6.99 4.11 -2.01 0.00 -1.04 -1.23 0.25 114.28 121.34 1n4i n THR 38 Ca 0.61 -5.33 -0.00 0.00 -2.04 0.00 0.00 64.05 57.28 1n4i n THR 38 Cb 0.01 -2.49 0.00 0.00 -1.82 0.00 0.00 70.33 66.03 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 2.46 -0.54 0.00 3.41 0.00 0.54 -2.95 105.19 108.11 1n4i n GLY 39 Ca 0.24 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.31 0.92 0.00 1.61 7.64 -1.24 -4.36 113.62 116.88 1n4i n SER 40 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1n4i n SER 40 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1n4i n SER 40 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1n4i n ARG 41 N 0.00 0.00 -2.88 1.43 0.63 -1.26 -3.82 116.66 110.76 1n4i n ARG 41 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 1n4i n ARG 41 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 1n4i n ARG 41 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1n4i n PHE 42 N -0.36 0.34 -2.67 -0.14 3.72 -1.26 -2.95 117.46 114.13 1n4i n PHE 42 Ca 0.00 -0.84 -0.04 0.00 -0.05 0.00 0.00 57.45 56.52 1n4i n PHE 42 Cb 0.00 -0.09 0.09 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.40 0.00 4.37 2.03 -1.26 -1.94 116.55 117.13 1n4i n ASP 43 Ca -0.06 -2.11 0.00 0.00 0.52 0.00 0.00 54.79 53.14 1n4i n ASP 43 Cb 0.21 1.23 0.00 0.00 -0.72 0.00 0.00 41.12 41.84 1n4i n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n4i n GLY 44 N 0.22 0.95 0.00 0.27 0.00 0.74 -3.46 105.19 103.91 1n4i n GLY 44 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.80 1.61 0.24 -0.57 0.12 118.33 116.94 1n4i n VAL 45 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1n4i n VAL 45 Cb 0.00 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.44 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 0.01 -2.79 3.34 -1.04 -1.17 -1.63 114.28 111.00 1n4i n THR 46 Ca 0.00 -2.04 -0.31 0.00 -2.04 0.00 0.00 64.05 59.66 1n4i n THR 46 Cb 0.00 1.12 -0.04 0.00 -1.82 0.00 0.00 70.33 69.59 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 -0.28 4.71 -0.03 12.58 2.07 -1.18 -1.83 121.20 137.24 1n4i s ILE 47 Ca 0.25 0.80 -0.14 0.00 -1.41 0.00 0.00 60.65 60.15 1n4i s ILE 47 Cb 0.32 -3.71 0.02 0.00 0.13 0.00 0.00 42.46 39.22 1n4i s ILE 47 CO -0.06 -0.51 0.29 0.42 -1.91 0.00 0.00 174.94 173.18 1n4i s THR 48 N -2.37 0.05 -0.80 4.00 -4.23 -1.12 -3.14 115.64 108.04 1n4i s THR 48 Ca 0.53 -0.43 -0.07 0.00 -1.18 0.00 0.00 61.69 60.55 1n4i s THR 48 Cb -0.10 -0.57 0.07 0.00 1.34 0.00 0.00 72.50 73.23 1n4i s THR 48 CO 0.29 -0.23 0.23 0.35 -0.54 0.00 0.00 174.62 174.72 1n4i n THR 49 N 1.53 -0.27 -3.77 3.99 -2.24 -1.13 0.29 114.28 112.69 1n4i n THR 49 Ca -0.20 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.22 1n4i n THR 49 Cb 0.56 -0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 68.02 1n4i n THR 49 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1n4i s SER 50 N -2.42 6.07 -0.18 3.42 0.15 -1.20 -3.69 113.70 115.84 1n4i s SER 50 Ca 0.27 0.17 0.07 0.00 0.70 0.00 0.00 55.95 57.16 1n4i s SER 50 Cb -0.15 -2.07 0.49 0.00 -1.71 0.00 0.00 66.02 62.59 1n4i s SER 50 CO 0.33 0.15 1.35 0.41 1.20 0.00 0.00 173.24 176.68 1n4i n THR 51 N 3.70 1.89 -1.61 6.45 -1.04 -0.75 0.17 114.28 123.09 1n4i n THR 51 Ca -0.16 -0.95 -0.63 0.00 -2.04 0.00 0.00 64.05 60.27 1n4i n THR 51 Cb 0.52 -0.43 -0.09 0.00 -1.82 0.00 0.00 70.33 68.51 1n4i n THR 51 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1n4i n SER 52 N 0.18 0.60 -4.20 8.00 7.64 -1.21 -4.31 113.62 120.31 1n4i n SER 52 Ca 0.22 1.17 -0.41 0.00 1.01 0.00 0.00 58.87 60.86 1n4i n SER 52 Cb 0.94 -0.92 -0.07 0.00 -1.01 0.00 0.00 64.21 63.15 1n4i n SER 52 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1n4i s THR 53 N 1.34 4.39 -0.20 0.44 2.01 0.27 -3.54 115.64 120.35 1n4i s THR 53 Ca 0.97 -2.30 -0.04 0.00 0.31 0.00 0.00 61.69 60.62 1n4i s THR 53 Cb -1.35 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 67.33 1n4i s THR 53 CO 0.67 -0.87 0.24 0.61 -0.69 0.00 0.00 174.62 174.58 1n4i n GLY 54 N 4.26 -0.85 2.97 4.40 0.00 -1.15 0.13 105.19 114.94 1n4i n GLY 54 Ca 0.02 0.31 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.83 0.48 -0.40 1.61 1.04 -1.08 -1.96 113.70 111.56 1n4i s SER 55 Ca 0.07 0.45 -0.28 0.00 0.48 0.00 0.00 55.95 56.67 1n4i s SER 55 Cb -0.02 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 1n4i s SER 55 CO 0.29 -0.26 1.82 -0.60 0.98 0.00 0.00 173.24 175.47 1n4i s ARG 56 N 2.42 3.14 0.00 4.02 3.52 0.34 -4.43 118.95 127.96 1n4i s ARG 56 Ca 0.03 1.22 0.28 0.00 -0.13 0.00 0.00 55.73 57.13 1n4i s ARG 56 Cb -0.13 -4.25 1.16 0.00 -1.56 0.00 0.00 34.95 30.18 1n4i s ARG 56 CO -0.10 -2.09 1.81 -0.89 -0.81 0.00 0.00 175.30 173.22 1n4i n ILE 57 N 7.37 0.01 -1.63 4.11 2.08 -1.15 -3.52 119.36 126.64 1n4i n ILE 57 Ca 0.23 -0.22 -0.63 0.00 0.56 0.00 0.00 62.75 62.69 1n4i n ILE 57 Cb 0.48 0.34 -0.09 0.00 -0.75 0.00 0.00 39.64 39.62 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 0.00 0.67 -3.60 4.38 7.64 -1.26 -4.49 113.62 116.96 1n4i n SER 58 Ca 0.20 1.17 -0.11 0.00 1.01 0.00 0.00 58.87 61.14 1n4i n SER 58 Cb 0.32 -0.91 -0.06 0.00 -1.01 0.00 0.00 64.21 62.54 1n4i n SER 58 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1n4i s GLY 59 N 1.53 -0.26 -1.22 0.23 0.00 -1.22 -4.78 107.32 101.60 1n4i s GLY 59 Ca 0.98 2.26 -0.20 0.00 0.00 0.00 0.00 44.72 47.76 1n4i s GLY 59 CO 0.69 1.44 1.79 2.56 0.00 0.00 0.00 173.10 179.58 1n4i s PRO 60 N -0.41 3.38 0.00 2.90 0.04 -1.26 -3.22 135.00 136.44 1n4i s PRO 60 Ca -0.00 -1.56 0.00 0.00 0.04 0.00 0.00 61.00 59.48 1n4i s PRO 60 Cb -0.03 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 29.11 1n4i s PRO 60 CO -0.01 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 174.54 1n4i n GLY 61 N 5.74 0.77 3.12 0.56 0.00 -0.57 -5.04 105.19 109.77 1n4i n GLY 61 Ca 0.46 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.53 0.30 0.13 0.00 2.20 -1.25 -3.02 119.74 115.57 1n4i s LYS 63 Ca 0.44 0.67 0.06 0.00 -0.36 0.00 0.00 55.97 56.78 1n4i s LYS 63 Cb -0.08 -0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 35.94 1n4i s LYS 63 CO 0.72 -0.49 -0.13 0.42 -0.36 0.00 0.00 175.35 175.51 1n4i s ILE 64 N 2.53 1.30 -0.25 5.43 1.01 -0.76 -4.69 121.20 125.77 1n4i s ILE 64 Ca 0.07 -1.80 -0.09 0.00 0.00 0.00 0.00 60.65 58.83 1n4i s ILE 64 Cb -0.14 -1.60 0.11 0.00 0.01 0.00 0.00 42.46 40.83 1n4i s ILE 64 CO -0.14 -0.49 0.53 -0.94 0.00 0.00 0.00 174.94 173.90 1n4i s SER 65 N -2.63 -0.70 -0.76 3.58 1.04 -1.26 -2.79 113.70 110.18 1n4i s SER 65 Ca 0.11 1.28 -0.05 0.00 0.48 0.00 0.00 55.95 57.77 1n4i s SER 65 Cb -0.03 1.79 0.01 0.00 0.10 0.00 0.00 66.02 67.88 1n4i s SER 65 CO 0.03 -0.23 0.63 0.41 0.98 0.00 0.00 173.24 175.06 1n4i n THR 66 N 5.37 -4.90 -4.14 2.02 -1.04 0.86 -3.52 114.28 108.92 1n4i n THR 66 Ca -0.11 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.58 1n4i n THR 66 Cb 0.50 -3.87 -0.16 0.00 -1.82 0.00 0.00 70.33 64.97 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 1.33 4.79 0.20 0.00 1.09 -1.26 -1.81 121.20 125.53 1n4i s ILE 68 Ca 0.03 -1.96 0.05 0.00 -1.10 0.00 0.00 60.65 57.67 1n4i s ILE 68 Cb -0.13 -4.85 -0.03 0.00 -1.06 0.00 0.00 42.46 36.38 1n4i s ILE 68 CO -0.10 -1.58 0.25 -0.63 -0.10 0.00 0.00 174.94 172.78 1n4i s ILE 69 N 2.40 4.94 -0.27 2.92 1.01 -1.26 -0.29 121.20 130.64 1n4i s ILE 69 Ca 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1n4i s ILE 69 Cb -0.04 -3.60 0.16 0.00 0.01 0.00 0.00 42.46 38.99 1n4i s ILE 69 CO -0.05 -0.21 0.45 -0.89 0.00 0.00 0.00 174.94 174.24 1n4i s THR 70 N -1.88 -0.72 0.00 2.92 2.01 0.35 0.93 115.64 119.25 1n4i s THR 70 Ca 0.33 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1n4i s THR 70 Cb -0.10 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1n4i s THR 70 CO 0.27 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 1n4i n GLY 71 N 5.38 0.65 0.76 4.40 0.00 0.34 -3.62 105.19 113.10 1n4i n GLY 71 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.60 0.79 3.17 -0.02 0.00 -0.83 -3.99 105.19 101.71 1n4i n GLY 72 Ca 0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 1.87 0.05 1.61 -7.23 -1.24 -4.18 120.40 109.28 1n4i s VAL 73 Ca 0.00 -0.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.98 1n4i s VAL 73 Cb 0.00 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.26 1n4i s VAL 73 CO 0.00 0.52 0.92 -2.16 -0.31 0.00 0.00 175.10 174.06 1n4i s PRO 74 N 0.48 4.60 0.70 4.82 0.04 -1.26 -0.50 135.00 143.88 1n4i s PRO 74 Ca -0.16 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 1n4i s PRO 74 Cb -0.17 -3.41 0.01 0.00 0.04 0.00 0.00 34.50 30.97 1n4i s PRO 74 CO 0.06 0.13 1.06 0.00 0.04 0.00 0.00 177.00 178.29 1n4i s ALA 75 N 0.38 2.71 -0.68 8.56 0.00 0.60 -4.86 121.76 128.47 1n4i s ALA 75 Ca 0.47 -0.02 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 1n4i s ALA 75 Cb -0.22 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 1n4i s ALA 75 CO 0.27 -1.20 1.86 -0.35 0.00 0.00 0.00 175.76 176.35 1n4i n PRO 76 N -3.10 1.45 -3.55 0.00 -0.04 -1.26 -4.77 135.00 123.73 1n4i n PRO 76 Ca 0.07 -1.44 -0.39 0.00 -0.04 0.00 0.00 63.50 61.70 1n4i n PRO 76 Cb 0.54 -2.57 -0.11 0.00 -0.04 0.00 0.00 33.50 31.33 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 4.46 6.06 0.00 3.54 0.15 -1.26 -4.93 113.70 121.72 1n4i s SER 77 Ca 0.43 -0.15 0.16 0.00 0.70 0.00 0.00 55.95 57.09 1n4i s SER 77 Cb 0.11 -2.14 0.85 0.00 -1.71 0.00 0.00 66.02 63.13 1n4i s SER 77 CO 0.06 -0.14 1.45 0.00 1.20 0.00 0.00 173.24 175.81 1n4i n ALA 78 N 5.11 1.94 0.10 5.45 0.00 -1.26 -2.34 120.51 129.51 1n4i n ALA 78 Ca -0.13 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.34 1n4i n ALA 78 Cb 0.51 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.23 2.89 -1.12 0.00 0.00 -1.26 -4.96 120.51 114.83 1n4i n ALA 79 Ca 0.09 -0.46 -0.30 0.00 0.00 0.00 0.00 53.44 52.77 1n4i n ALA 79 Cb 0.11 -0.84 0.15 0.00 0.00 0.00 0.00 19.45 18.88 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 -4.01 2.43 0.00 0.00 0.00 -1.23 -4.97 118.16 110.39 1n4i n LYS 81 Ca 0.07 -2.16 0.00 0.00 -0.00 0.00 0.00 58.31 56.22 1n4i n LYS 81 Cb 0.55 -1.41 0.00 0.00 -0.00 0.00 0.00 35.03 34.18 1n4i n LYS 81 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1n4i n ILE 82 N 1.09 0.00 0.00 0.58 -0.00 -1.26 -4.57 119.36 115.20 1n4i n ILE 82 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.91 1n4i n ILE 82 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.15 1n4i n ILE 82 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1n4i n SER 83 N 0.00 0.00 -3.71 4.38 7.64 -1.26 -5.03 113.62 115.64 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 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 -3.41 1.85 0.00 0.23 0.00 -1.26 -5.06 107.32 99.66 1n4i s GLY 84 Ca 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 44.72 41.91 1n4i s GLY 84 CO 0.00 1.53 0.00 0.00 0.00 0.00 0.00 173.10 174.63 1n4i n THR 86 N 0.00 0.00 -0.04 0.00 5.66 -1.26 -5.09 114.28 113.55 1n4i n THR 86 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1n4i n THR 86 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 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 -0.30 0.00 -0.92 1.09 3.72 -1.23 -4.16 117.46 115.66 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 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 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 -3.54 -4.10 -2.22 4.37 2.88 -1.26 0.13 113.62 109.88 1n4i n SER 88 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1n4i n SER 88 Cb 0.52 -2.53 0.00 0.00 -0.75 0.00 0.00 64.21 61.45 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 -1.78 -0.83 -1.46 0.00 -1.26 -4.65 120.51 111.54 1n4i n ALA 89 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1n4i n ALA 89 Cb 0.29 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1n4i n ALA 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79