#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 0.85 0.87 0.44 0.00 0.32 -4.91 105.19 102.77 1n4i n GLY 2 Ca 0.00 -0.77 0.04 0.00 0.00 0.00 0.00 46.02 45.29 1n4i n GLY 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4i n SER 3 N -0.04 1.00 -4.09 1.61 3.41 -1.25 -5.05 113.62 109.21 1n4i n SER 3 Ca 0.00 -2.47 -0.14 0.00 -0.26 0.00 0.00 58.87 56.00 1n4i n SER 3 Cb 0.02 -0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 63.52 1n4i n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4i n THR 5 N 1.39 0.28 -2.89 0.00 -1.04 -1.26 -4.73 114.28 106.03 1n4i n THR 5 Ca -0.22 -0.47 -0.17 0.00 -2.04 0.00 0.00 64.05 61.14 1n4i n THR 5 Cb 0.55 1.05 -0.04 0.00 -1.82 0.00 0.00 70.33 70.07 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 -0.14 -0.56 -0.36 8.00 2.04 -1.26 0.30 115.26 123.28 1n4i n ASN 6 Ca 0.00 -0.54 -0.04 0.00 -0.44 0.00 0.00 54.58 53.56 1n4i n ASN 6 Cb 0.19 -0.68 -0.01 0.00 -2.53 0.00 0.00 39.78 36.75 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 1n4i n THR 7 N -2.11 -0.05 0.00 5.53 -1.04 -1.26 0.31 114.28 115.65 1n4i n THR 7 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1n4i n THR 7 Cb 0.21 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 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 1.29 0.00 -2.49 8.00 5.15 0.89 -4.74 115.26 123.36 1n4i n ASN 8 Ca -0.04 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.93 1n4i n ASN 8 Cb 0.23 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.48 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 -6.60 -0.30 1.20 2.88 0.81 -4.98 113.62 106.62 1n4i n SER 9 Ca 0.00 1.17 0.05 0.00 -1.33 0.00 0.00 58.87 58.77 1n4i n SER 9 Cb 0.00 -4.55 0.08 0.00 -0.75 0.00 0.00 64.21 58.99 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 0.62 0.68 -1.62 -1.46 7.27 -1.26 -5.05 117.38 116.55 1n4i n GLN 10 Ca -0.02 -1.86 -0.62 0.00 0.07 0.00 0.00 57.00 54.57 1n4i n GLN 10 Cb 0.03 -1.02 -0.09 0.00 2.41 0.00 0.00 30.24 31.56 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 -0.75 1.58 -3.65 1.69 7.99 -1.26 -4.46 117.00 118.14 1n4i n LEU 11 Ca 0.09 1.00 -0.39 0.00 -0.01 0.00 0.00 56.01 56.70 1n4i n LEU 11 Cb 0.68 -1.00 -0.11 0.00 -0.11 0.00 0.00 43.42 42.88 1n4i n LEU 11 CO 0.00 -0.69 1.37 -1.20 -1.51 0.00 0.00 177.39 175.37 1n4i n SER 12 N 5.55 0.89 -3.75 -1.43 7.64 0.41 -4.39 113.62 118.53 1n4i n SER 12 Ca 0.35 -2.37 -0.05 0.00 1.01 0.00 0.00 58.87 57.82 1n4i n SER 12 Cb 0.03 -0.60 0.00 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 9.82 -1.15 0.00 -0.43 0.00 -1.26 -4.12 120.51 123.37 1n4i n ALA 13 Ca 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1n4i n ALA 13 Cb 0.42 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 0.63 0.00 -3.17 0.00 2.85 -1.26 -4.94 115.26 109.37 1n4i n ASN 14 Ca -0.01 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.27 1n4i n ASN 14 Cb 0.05 0.00 0.18 0.00 1.24 0.00 0.00 39.78 41.25 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 -0.19 -3.30 -3.96 1.20 2.88 -1.26 -4.54 113.62 104.44 1n4i n SER 15 Ca 0.00 -0.54 -0.10 0.00 -1.33 0.00 0.00 58.87 56.90 1n4i n SER 15 Cb 0.00 -0.64 -0.12 0.00 -0.75 0.00 0.00 64.21 62.71 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 -4.14 0.26 -0.11 -1.46 2.20 -0.89 -4.91 119.74 110.70 1n4i s LYS 16 Ca 0.41 -0.47 -0.05 0.00 -0.36 0.00 0.00 55.97 55.50 1n4i s LYS 16 Cb -0.07 0.03 0.05 0.00 -1.51 0.00 0.00 37.83 36.33 1n4i s LYS 16 CO 0.34 -0.02 0.25 0.00 -0.36 0.00 0.00 175.35 175.56 1n4i n GLU 18 N 4.54 0.66 -1.23 0.00 2.13 -1.26 -0.52 120.64 124.96 1n4i n GLU 18 Ca -0.20 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.61 1n4i n GLU 18 Cb 0.52 -0.98 0.01 0.00 0.27 0.00 0.00 31.44 31.26 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 -2.38 0.20 -0.19 5.31 4.81 -1.26 -4.82 118.16 119.83 1n4i n LYS 19 Ca 0.00 -0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.12 1n4i n LYS 19 Cb 0.48 0.32 0.00 0.00 0.02 0.00 0.00 35.03 35.85 1n4i n LYS 19 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1n4i n SER 20 N -0.22 0.00 -3.13 3.14 3.41 -1.25 -4.83 113.62 110.73 1n4i n SER 20 Ca -0.07 -0.80 -0.20 0.00 -0.26 0.00 0.00 58.87 57.54 1n4i n SER 20 Cb 0.49 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.41 -0.45 -1.76 6.66 5.66 -1.03 -4.98 114.28 116.97 1n4i n THR 21 Ca 0.00 -3.88 -0.30 0.00 -3.05 0.00 0.00 64.05 56.83 1n4i n THR 21 Cb 0.00 -1.02 0.19 0.00 -1.55 0.00 0.00 70.33 67.95 1n4i n THR 21 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1n4i s LEU 22 N -1.57 2.31 -0.30 1.09 1.43 -1.25 -4.06 118.68 116.34 1n4i s LEU 22 Ca 0.36 0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 53.73 1n4i s LEU 22 Cb 0.23 -2.43 0.14 0.00 0.03 0.00 0.00 46.19 44.17 1n4i s LEU 22 CO -0.11 -2.92 0.81 -0.89 0.23 0.00 0.00 176.35 173.48 1n4i s THR 23 N -3.69 -0.65 -1.28 5.49 2.01 0.65 -4.09 115.64 114.07 1n4i s THR 23 Ca 0.72 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.71 1n4i s THR 23 Cb -0.06 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1n4i s THR 23 CO 0.53 0.00 0.86 0.59 -0.69 0.00 0.00 174.62 175.92 1n4i n ASN 24 N 5.05 -2.06 -4.56 3.53 4.13 0.90 -0.66 115.26 121.59 1n4i n ASN 24 Ca -0.12 -0.72 -0.26 0.00 1.68 0.00 0.00 54.58 55.16 1n4i n ASN 24 Cb 0.52 -4.51 -0.10 0.00 -1.54 0.00 0.00 39.78 34.14 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 -0.82 0.00 -0.11 0.00 9.36 -1.25 -4.07 117.16 120.27 1n4i n TYR 26 Ca -0.05 -0.39 -0.04 0.00 3.32 0.00 0.00 57.90 60.74 1n4i n TYR 26 Cb 0.63 -0.12 -0.00 0.00 -0.63 0.00 0.00 39.34 39.22 1n4i n TYR 26 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1n4i n VAL 27 N 0.17 0.09 -3.84 2.97 0.31 -1.26 -3.42 118.33 113.34 1n4i n VAL 27 Ca 0.05 -0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 1n4i n VAL 27 Cb 0.95 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.77 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 -0.08 -0.07 -1.42 4.52 -1.08 -1.21 0.16 116.67 117.49 1n4i s ASP 28 Ca 0.05 0.01 -0.16 0.00 -0.52 0.00 0.00 52.55 51.93 1n4i s ASP 28 Cb -0.06 0.28 0.16 0.00 -1.46 0.00 0.00 42.92 41.83 1n4i s ASP 28 CO 0.05 -0.29 0.39 0.29 0.52 0.00 0.00 175.17 176.13 1n4i n LYS 29 N 1.87 -0.80 -4.13 4.34 5.02 -1.26 -1.04 118.16 122.16 1n4i n LYS 29 Ca -0.20 0.10 -0.16 0.00 -2.02 0.00 0.00 58.31 56.04 1n4i n LYS 29 Cb 0.56 -3.51 -0.12 0.00 -0.02 0.00 0.00 35.03 31.95 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 -2.94 1.31 -0.36 4.39 0.01 -1.26 0.08 113.70 114.93 1n4i s SER 30 Ca 0.55 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 57.21 1n4i s SER 30 Cb -0.32 -0.01 0.10 0.00 0.21 0.00 0.00 66.02 66.01 1n4i s SER 30 CO 0.79 -0.16 0.10 -1.61 0.41 0.00 0.00 173.24 172.77 1n4i s GLU 31 N -1.83 1.63 0.32 12.44 2.02 -1.05 -2.10 118.70 130.13 1n4i s GLU 31 Ca -0.04 -1.89 0.05 0.00 0.02 0.00 0.00 54.97 53.11 1n4i s GLU 31 Cb -0.09 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 30.82 1n4i s GLU 31 CO 0.01 -0.98 0.46 0.08 0.02 0.00 0.00 175.26 174.86 1n4i s VAL 32 N 0.92 4.41 0.00 2.63 1.01 -1.22 -1.76 120.40 126.40 1n4i s VAL 32 Ca 0.11 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1n4i s VAL 32 Cb -0.20 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1n4i s VAL 32 CO -0.07 -0.23 0.00 -1.22 0.00 0.00 0.00 175.10 173.58 1n4i n TYR 33 N -1.63 0.00 -1.86 5.22 4.01 -1.21 -4.54 117.16 117.16 1n4i n TYR 33 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.68 1n4i n TYR 33 Cb 0.58 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.57 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 0.00 0.47 3.91 2.72 0.00 -1.22 -3.90 105.19 107.17 1n4i n GLY 34 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 2.42 -0.41 2.61 2.01 -1.20 -2.59 115.64 118.48 1n4i s THR 35 Ca 0.00 -0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.09 1n4i s THR 35 Cb 0.00 -3.10 0.41 0.00 0.01 0.00 0.00 72.50 69.82 1n4i s THR 35 CO 0.00 -0.12 0.99 0.41 -0.69 0.00 0.00 174.62 175.20 1n4i n THR 36 N -3.10 1.68 -1.45 -0.82 -1.04 -1.22 -2.45 114.28 105.88 1n4i n THR 36 Ca 0.08 -4.34 -0.45 0.00 -2.04 0.00 0.00 64.05 57.30 1n4i n THR 36 Cb 0.60 -0.50 -0.12 0.00 -1.82 0.00 0.00 70.33 68.49 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 7.35 3.06 0.00 0.00 5.66 -1.24 0.24 114.28 129.34 1n4i n THR 38 Ca 0.57 -2.03 0.00 0.00 -3.05 0.00 0.00 64.05 59.54 1n4i n THR 38 Cb 0.11 -0.95 0.00 0.00 -1.55 0.00 0.00 70.33 67.94 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 -0.59 1.90 0.00 1.09 0.00 0.17 -4.91 105.19 102.85 1n4i n GLY 39 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 1.51 -3.62 1.61 2.88 -1.24 -4.91 113.62 109.85 1n4i n SER 40 Ca 0.00 -0.70 -0.07 0.00 -1.33 0.00 0.00 58.87 56.77 1n4i n SER 40 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1n4i n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4i s ARG 41 N -0.95 1.16 0.37 -1.46 1.70 -1.26 -3.85 118.95 114.66 1n4i s ARG 41 Ca 0.00 -0.54 0.01 0.00 -0.47 0.00 0.00 55.73 54.73 1n4i s ARG 41 Cb 0.00 0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 34.84 1n4i s ARG 41 CO 0.00 -0.52 0.03 1.19 -1.08 0.00 0.00 175.30 174.92 1n4i n PHE 42 N -0.37 0.67 -2.69 5.89 3.72 -1.26 -3.71 117.46 119.71 1n4i n PHE 42 Ca -0.09 -1.96 -0.06 0.00 -0.05 0.00 0.00 57.45 55.29 1n4i n PHE 42 Cb 0.62 -0.18 0.08 0.00 -0.94 0.00 0.00 39.48 39.06 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 -1.36 -1.76 0.00 4.37 -0.08 -1.22 -3.28 116.55 113.23 1n4i n ASP 43 Ca -0.13 -2.50 0.00 0.00 -1.51 0.00 0.00 54.79 50.65 1n4i n ASP 43 Cb 0.49 1.25 0.00 0.00 2.34 0.00 0.00 41.12 45.20 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 -0.22 0.58 0.00 0.27 0.00 -0.21 -3.80 105.19 101.81 1n4i n GLY 44 Ca -0.07 -0.73 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 -2.71 1.61 0.24 0.11 -1.93 118.33 115.65 1n4i n VAL 45 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 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 -2.00 3.34 -1.04 0.64 -2.53 114.28 112.69 1n4i n THR 46 Ca 0.00 -1.25 -0.29 0.00 -2.04 0.00 0.00 64.05 60.47 1n4i n THR 46 Cb 0.00 1.30 0.05 0.00 -1.82 0.00 0.00 70.33 69.85 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 0.19 3.33 0.00 12.58 2.07 -0.72 -3.00 121.20 135.65 1n4i s ILE 47 Ca 0.21 0.31 0.00 0.00 -1.41 0.00 0.00 60.65 59.76 1n4i s ILE 47 Cb 0.29 -3.41 0.00 0.00 0.13 0.00 0.00 42.46 39.47 1n4i s ILE 47 CO -0.09 -0.51 0.00 0.35 -1.91 0.00 0.00 174.94 172.77 1n4i n THR 48 N -2.95 0.00 -1.54 4.00 -2.24 0.47 -3.32 114.28 108.69 1n4i n THR 48 Ca 0.07 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.38 1n4i n THR 48 Cb 0.58 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.30 -3.63 4.28 -1.04 -1.26 -3.26 114.28 109.66 1n4i n THR 49 Ca 0.00 -0.37 -0.11 0.00 -2.04 0.00 0.00 64.05 61.53 1n4i n THR 49 Cb 0.00 -2.20 -0.07 0.00 -1.82 0.00 0.00 70.33 66.24 1n4i n THR 49 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1n4i s SER 50 N 7.79 -0.75 -0.26 8.00 0.15 -1.07 0.33 113.70 127.91 1n4i s SER 50 Ca 1.04 1.35 -0.12 0.00 0.70 0.00 0.00 55.95 58.92 1n4i s SER 50 Cb -0.54 1.35 -0.05 0.00 -1.71 0.00 0.00 66.02 65.07 1n4i s SER 50 CO 0.41 -0.23 0.24 -0.89 1.20 0.00 0.00 173.24 173.97 1n4i s THR 51 N 0.73 5.28 -0.04 6.45 2.01 -1.21 -3.42 115.64 125.44 1n4i s THR 51 Ca -0.03 0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.30 1n4i s THR 51 Cb -0.05 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.91 1n4i s THR 51 CO -0.06 0.26 -0.03 -0.55 -0.69 0.00 0.00 174.62 173.55 1n4i s SER 52 N 1.45 0.75 -0.44 3.53 0.15 -1.24 0.27 113.70 118.17 1n4i s SER 52 Ca 0.10 -0.09 -0.08 0.00 0.70 0.00 0.00 55.95 56.59 1n4i s SER 52 Cb -0.15 -0.36 0.10 0.00 -1.71 0.00 0.00 66.02 63.91 1n4i s SER 52 CO 0.09 -0.08 0.29 -0.89 1.20 0.00 0.00 173.24 173.85 1n4i s THR 53 N 0.98 4.02 -0.15 6.45 2.01 -0.96 -4.53 115.64 123.46 1n4i s THR 53 Ca -0.10 -1.71 -0.09 0.00 0.31 0.00 0.00 61.69 60.09 1n4i s THR 53 Cb -0.14 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 68.80 1n4i s THR 53 CO -0.01 -0.66 0.18 0.61 -0.69 0.00 0.00 174.62 174.05 1n4i n GLY 54 N 4.85 -4.72 3.16 4.40 0.00 -1.26 0.16 105.19 111.77 1n4i n GLY 54 Ca -0.08 1.26 0.05 0.00 0.00 0.00 0.00 46.02 47.26 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 -0.57 -0.38 -0.39 1.61 1.04 -1.26 0.12 113.70 113.86 1n4i s SER 55 Ca -0.21 0.25 -0.29 0.00 0.48 0.00 0.00 55.95 56.18 1n4i s SER 55 Cb 0.01 1.33 0.01 0.00 0.10 0.00 0.00 66.02 67.48 1n4i s SER 55 CO 0.62 -0.07 1.26 0.00 0.98 0.00 0.00 173.24 176.02 1n4i s ARG 56 N 2.93 3.77 -0.10 4.02 1.70 -1.26 -4.28 118.95 125.73 1n4i s ARG 56 Ca -0.03 0.92 0.05 0.00 -0.47 0.00 0.00 55.73 56.20 1n4i s ARG 56 Cb -0.10 -3.92 0.31 0.00 -0.57 0.00 0.00 34.95 30.68 1n4i s ARG 56 CO -0.10 -1.31 1.01 -0.89 -1.08 0.00 0.00 175.30 172.93 1n4i n ILE 57 N 6.63 1.14 -0.91 4.99 2.08 -1.24 -3.46 119.36 128.59 1n4i n ILE 57 Ca 0.14 -0.55 -0.35 0.00 0.56 0.00 0.00 62.75 62.55 1n4i n ILE 57 Cb 0.48 -0.46 0.08 0.00 -0.75 0.00 0.00 39.64 38.99 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 0.20 -4.31 0.00 4.38 7.64 -1.26 -4.57 113.62 115.71 1n4i n SER 58 Ca 0.12 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1n4i n SER 58 Cb 0.65 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 2.64 3.24 1.92 0.23 0.00 -1.22 -4.60 105.19 107.41 1n4i n GLY 59 Ca 0.02 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.37 1.82 0.00 1.61 -0.04 -1.26 -3.89 135.00 131.88 1n4i n PRO 60 Ca 0.00 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 1n4i n PRO 60 Cb 0.00 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 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 2.18 1.40 2.98 0.55 0.00 -0.99 -5.03 105.19 106.27 1n4i n GLY 61 Ca 0.34 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.82 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 3.30 2.69 -0.18 0.00 2.20 -1.26 0.24 119.74 126.72 1n4i s LYS 63 Ca 0.91 -0.93 -0.10 0.00 -0.36 0.00 0.00 55.97 55.49 1n4i s LYS 63 Cb -1.25 -2.54 0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1n4i s LYS 63 CO 0.64 0.49 0.44 0.42 -0.36 0.00 0.00 175.35 176.98 1n4i s ILE 64 N -1.66 -0.02 -0.11 5.43 -1.09 -1.16 -4.60 121.20 117.99 1n4i s ILE 64 Ca 0.29 0.08 -0.01 0.00 -2.23 0.00 0.00 60.65 58.78 1n4i s ILE 64 Cb -0.10 -0.65 0.03 0.00 -1.58 0.00 0.00 42.46 40.16 1n4i s ILE 64 CO 0.21 0.03 -0.03 -0.94 -1.23 0.00 0.00 174.94 172.98 1n4i s SER 65 N 1.35 2.06 -1.28 3.58 1.04 -1.26 -0.40 113.70 118.79 1n4i s SER 65 Ca -0.09 -0.30 -0.21 0.00 0.48 0.00 0.00 55.95 55.83 1n4i s SER 65 Cb -0.08 -0.65 0.02 0.00 0.10 0.00 0.00 66.02 65.41 1n4i s SER 65 CO -0.13 -0.18 0.55 0.41 0.98 0.00 0.00 173.24 174.88 1n4i n THR 66 N 5.04 -3.17 -3.77 2.02 -1.04 0.15 -3.38 114.28 110.12 1n4i n THR 66 Ca -0.10 -0.65 -0.36 0.00 -2.04 0.00 0.00 64.05 60.90 1n4i n THR 66 Cb 0.49 -2.57 -0.11 0.00 -1.82 0.00 0.00 70.33 66.32 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 1.02 3.47 0.43 0.00 1.09 -1.26 -3.36 121.20 122.60 1n4i s ILE 68 Ca 0.09 -0.55 -0.03 0.00 -1.10 0.00 0.00 60.65 59.06 1n4i s ILE 68 Cb -0.23 -4.18 -0.04 0.00 -1.06 0.00 0.00 42.46 36.96 1n4i s ILE 68 CO -0.04 -0.94 0.71 -0.63 -0.10 0.00 0.00 174.94 173.94 1n4i s ILE 69 N 10.57 4.97 -0.33 2.92 1.01 0.76 -1.44 121.20 139.65 1n4i s ILE 69 Ca 0.70 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.39 1n4i s ILE 69 Cb -0.05 -3.86 0.18 0.00 0.01 0.00 0.00 42.46 38.74 1n4i s ILE 69 CO 0.04 -0.75 0.56 -0.89 0.00 0.00 0.00 174.94 173.91 1n4i s THR 70 N -2.59 -0.90 0.00 2.92 2.01 0.17 -2.27 115.64 114.97 1n4i s THR 70 Ca 0.45 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1n4i s THR 70 Cb -0.10 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.74 1n4i s THR 70 CO 0.42 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1n4i n GLY 71 N 5.02 1.21 2.16 4.40 0.00 0.43 -3.86 105.19 114.54 1n4i n GLY 71 Ca 0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.74 0.64 3.09 -0.02 0.00 0.12 -4.06 105.19 104.21 1n4i n GLY 72 Ca 0.00 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.05 1.41 0.45 1.61 -7.23 -1.25 -4.27 120.40 109.07 1n4i s VAL 73 Ca 0.00 -0.66 -0.20 0.00 -1.81 0.00 0.00 61.98 59.32 1n4i s VAL 73 Cb 0.00 -1.24 -0.10 0.00 0.56 0.00 0.00 36.38 35.60 1n4i s VAL 73 CO 0.00 0.41 0.96 -2.16 -0.31 0.00 0.00 175.10 174.01 1n4i s PRO 74 N 0.43 4.14 0.82 4.82 0.04 -1.26 0.42 135.00 144.41 1n4i s PRO 74 Ca -0.13 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 1n4i s PRO 74 Cb -0.15 -2.16 0.12 0.00 0.04 0.00 0.00 34.50 32.34 1n4i s PRO 74 CO 0.04 -0.11 1.16 0.00 0.04 0.00 0.00 177.00 178.14 1n4i s ALA 75 N -2.27 2.77 -2.00 8.56 0.00 -0.52 -4.89 121.76 123.41 1n4i s ALA 75 Ca 0.62 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.57 1n4i s ALA 75 Cb -0.10 -2.69 0.08 0.00 0.00 0.00 0.00 23.12 20.41 1n4i s ALA 75 CO 0.17 -1.80 1.07 -0.35 0.00 0.00 0.00 175.76 174.85 1n4i n PRO 76 N -3.31 1.21 -1.67 0.00 -0.04 -1.26 -4.87 135.00 125.06 1n4i n PRO 76 Ca 0.11 -0.32 -0.45 0.00 -0.04 0.00 0.00 63.50 62.80 1n4i n PRO 76 Cb 0.60 -1.07 -0.03 0.00 -0.04 0.00 0.00 33.50 32.96 1n4i n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1n4i n SER 77 N -0.24 2.88 0.02 3.54 2.88 -1.26 -4.82 113.62 116.63 1n4i n SER 77 Ca 0.03 1.12 0.06 0.00 -1.33 0.00 0.00 58.87 58.76 1n4i n SER 77 Cb 0.08 -1.43 0.29 0.00 -0.75 0.00 0.00 64.21 62.40 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 2.47 1.51 0.60 -1.46 0.00 -1.26 -1.68 120.51 120.69 1n4i n ALA 78 Ca 0.14 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1n4i n ALA 78 Cb 0.30 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.55 3.50 -2.53 0.00 0.00 -1.26 -4.86 120.51 113.81 1n4i n ALA 79 Ca 0.02 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 1n4i n ALA 79 Cb 0.14 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 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 2.55 2.64 -0.46 0.00 0.00 -1.22 -4.92 119.74 118.34 1n4i s LYS 81 Ca 0.52 -1.39 0.04 0.00 0.00 0.00 0.00 55.97 55.14 1n4i s LYS 81 Cb -0.21 -2.70 0.19 0.00 0.00 0.00 0.00 37.83 35.11 1n4i s LYS 81 CO 0.17 -0.46 0.78 0.42 0.00 0.00 0.00 175.35 176.27 1n4i s ILE 82 N -2.46 -0.84 -0.56 3.79 1.09 -1.26 -4.75 121.20 116.21 1n4i s ILE 82 Ca 0.57 -0.65 0.06 0.00 -1.10 0.00 0.00 60.65 59.52 1n4i s ILE 82 Cb -0.08 0.00 0.21 0.00 -1.06 0.00 0.00 42.46 41.53 1n4i s ILE 82 CO 0.35 0.00 0.55 -0.24 -0.10 0.00 0.00 174.94 175.50 1n4i n SER 83 N 3.18 1.92 0.00 3.58 2.88 -1.26 -4.80 113.62 119.12 1n4i n SER 83 Ca 0.15 -3.00 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 1n4i n SER 83 Cb 0.58 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1n4i n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n4i n GLY 84 N 1.66 1.47 0.00 0.46 0.00 -1.26 -4.82 105.19 102.70 1n4i n GLY 84 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1n4i n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4i n THR 86 N -0.88 0.00 -4.23 0.00 5.66 -1.26 -5.01 114.28 108.55 1n4i n THR 86 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 1n4i n THR 86 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 1n4i n THR 86 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1n4i s PHE 87 N -1.71 1.30 -0.01 1.09 0.08 -1.26 -4.26 117.98 113.22 1n4i s PHE 87 Ca 0.00 -0.62 0.19 0.00 0.12 0.00 0.00 56.93 56.62 1n4i s PHE 87 Cb 0.00 -0.68 0.32 0.00 -0.57 0.00 0.00 43.02 42.09 1n4i s PHE 87 CO 0.00 0.11 1.13 0.45 -0.10 0.00 0.00 175.22 176.81 1n4i n SER 88 N 0.36 0.49 -3.08 1.36 2.88 -1.22 -4.80 113.62 109.60 1n4i n SER 88 Ca -0.14 -2.00 -0.17 0.00 -1.33 0.00 0.00 58.87 55.23 1n4i n SER 88 Cb 0.58 -0.14 0.02 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.33 -2.75 0.00 -1.46 0.00 -1.25 -4.58 120.51 110.80 1n4i n ALA 89 Ca -0.03 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1n4i n ALA 89 Cb 1.02 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77