#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 4.18 0.68 6.12 0.00 -1.26 -5.00 105.19 109.91 1n4i n GLY 2 Ca 0.00 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 2.12 -4.82 1.61 3.41 -1.26 -4.93 113.62 109.75 1n4i n SER 3 Ca 0.00 -1.71 -0.33 0.00 -0.26 0.00 0.00 58.87 56.58 1n4i n SER 3 Cb 0.00 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.33 0.00 0.00 0.00 -1.04 -1.26 -4.86 114.28 105.80 1n4i n THR 5 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1n4i n THR 5 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 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 -0.52 0.00 0.00 8.00 0.23 -1.26 -4.68 115.26 117.03 1n4i n ASN 6 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1n4i n ASN 6 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 0.00 0.00 -0.30 5.53 -1.04 -1.26 0.39 114.28 117.59 1n4i n THR 7 Ca 0.00 0.00 0.25 0.00 -2.04 0.00 0.00 64.05 62.26 1n4i n THR 7 Cb 0.00 0.00 0.57 0.00 -1.82 0.00 0.00 70.33 69.08 1n4i n THR 7 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1n4i h ASN 8 N 0.00 0.32 -3.61 8.00 -1.24 -1.91 -3.46 115.58 113.68 1n4i h ASN 8 Ca 0.00 0.06 -0.10 0.00 0.71 0.00 0.00 56.30 56.97 1n4i h ASN 8 Cb 0.00 0.00 0.07 0.00 0.73 0.00 0.00 38.32 39.12 1n4i h ASN 8 CO 0.00 0.07 -0.29 -1.20 -1.29 0.00 0.00 177.43 174.72 1n4i n SER 9 N -4.50 -2.92 -0.18 1.15 7.64 -1.26 -4.97 113.62 108.59 1n4i n SER 9 Ca 0.24 -0.24 0.06 0.00 1.01 0.00 0.00 58.87 59.94 1n4i n SER 9 Cb 0.94 -2.15 0.08 0.00 -1.01 0.00 0.00 64.21 62.07 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 -2.11 1.04 -1.53 1.43 6.02 -1.26 -5.01 117.38 115.97 1n4i n GLN 10 Ca -0.06 -1.90 -0.30 0.00 -0.01 0.00 0.00 57.00 54.73 1n4i n GLN 10 Cb 0.55 -1.11 -0.12 0.00 1.02 0.00 0.00 30.24 30.58 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 -0.85 0.78 -4.33 1.08 7.94 -0.91 -4.44 117.00 116.27 1n4i n LEU 11 Ca 0.09 -0.50 -0.42 0.00 -1.11 0.00 0.00 56.01 54.07 1n4i n LEU 11 Cb 0.60 -1.17 -0.00 0.00 0.53 0.00 0.00 43.42 43.38 1n4i n LEU 11 CO 0.01 -1.49 -0.34 -1.54 -1.11 0.00 0.00 177.39 172.91 1n4i n SER 12 N 12.59 -2.50 -3.41 1.96 3.41 -0.95 -4.56 113.62 120.16 1n4i n SER 12 Ca 0.55 0.83 -0.34 0.00 -0.26 0.00 0.00 58.87 59.64 1n4i n SER 12 Cb 0.28 -0.93 -0.07 0.00 -0.26 0.00 0.00 64.21 63.23 1n4i n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4i n ALA 13 N -1.00 2.06 0.00 7.33 0.00 -1.26 -1.96 120.51 125.67 1n4i n ALA 13 Ca 0.11 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 51.22 1n4i n ALA 13 Cb 0.40 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.44 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 7.30 0.00 -3.31 0.00 5.15 -1.26 -5.01 115.26 118.12 1n4i n ASN 14 Ca 0.39 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.27 1n4i n ASN 14 Cb 0.31 0.00 0.10 0.00 -0.53 0.00 0.00 39.78 39.66 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 0.00 -2.46 -3.90 1.20 2.88 -0.83 -4.54 113.62 105.97 1n4i n SER 15 Ca 0.00 -0.31 -0.09 0.00 -1.33 0.00 0.00 58.87 57.14 1n4i n SER 15 Cb 0.00 -0.50 -0.08 0.00 -0.75 0.00 0.00 64.21 62.88 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 -2.94 0.85 -0.28 -1.46 2.20 -0.20 -4.46 119.74 113.44 1n4i s LYS 16 Ca 0.24 -1.02 -0.28 0.00 -0.36 0.00 0.00 55.97 54.54 1n4i s LYS 16 Cb -0.04 0.33 0.19 0.00 -1.51 0.00 0.00 37.83 36.80 1n4i s LYS 16 CO 0.20 -0.27 1.37 0.00 -0.36 0.00 0.00 175.35 176.29 1n4i n GLU 18 N 0.72 1.04 -2.31 0.00 2.13 -1.26 -4.74 120.64 116.23 1n4i n GLU 18 Ca -0.02 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.77 1n4i n GLU 18 Cb 0.58 -0.60 0.05 0.00 0.27 0.00 0.00 31.44 31.75 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 -0.78 0.64 -2.66 5.31 4.81 -1.26 -5.11 118.16 119.12 1n4i n LYS 19 Ca 0.00 -0.81 -0.23 0.00 -0.87 0.00 0.00 58.31 56.40 1n4i n LYS 19 Cb 0.10 0.12 0.11 0.00 0.02 0.00 0.00 35.03 35.38 1n4i n LYS 19 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1n4i s SER 20 N -0.57 4.35 -0.44 3.14 0.01 -0.39 -4.62 113.70 115.18 1n4i s SER 20 Ca 0.07 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.86 1n4i s SER 20 Cb 0.21 0.17 0.16 0.00 0.21 0.00 0.00 66.02 66.77 1n4i s SER 20 CO -0.06 -1.87 0.33 0.28 0.41 0.00 0.00 173.24 172.33 1n4i s THR 21 N -3.11 0.74 0.57 1.44 -1.32 -1.20 -4.95 115.64 107.82 1n4i s THR 21 Ca 0.67 -2.70 0.02 0.00 -1.21 0.00 0.00 61.69 58.47 1n4i s THR 21 Cb -0.05 -1.51 0.11 0.00 -1.51 0.00 0.00 72.50 69.54 1n4i s THR 21 CO 0.44 -1.13 0.78 0.18 -2.21 0.00 0.00 174.62 172.68 1n4i n LEU 22 N 2.99 0.00 -3.54 9.08 4.77 -1.25 -3.95 117.00 125.11 1n4i n LEU 22 Ca 0.24 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 1n4i n LEU 22 Cb 0.43 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1n4i n LEU 22 CO 0.13 -0.85 0.31 -0.89 -1.33 0.00 0.00 177.39 174.76 1n4i s THR 23 N -2.37 -0.91 -0.57 -5.08 2.01 -1.09 -4.58 115.64 103.06 1n4i s THR 23 Ca 0.53 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.43 1n4i s THR 23 Cb -0.03 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.49 1n4i s THR 23 CO 0.35 0.00 0.64 0.59 -0.69 0.00 0.00 174.62 175.51 1n4i n ASN 24 N 5.38 -7.71 0.00 3.53 3.02 0.16 -1.31 115.26 118.33 1n4i n ASN 24 Ca -0.10 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1n4i n ASN 24 Cb 0.50 -5.10 0.00 0.00 -0.61 0.00 0.00 39.78 34.57 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 0.00 0.00 -1.16 0.00 4.19 -1.25 -4.07 117.16 114.87 1n4i n TYR 26 Ca 0.00 0.00 0.12 0.00 3.31 0.00 0.00 57.90 61.33 1n4i n TYR 26 Cb 0.00 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 39.76 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 -1.44 -0.65 -3.57 2.97 0.31 -1.26 -2.14 118.33 112.55 1n4i n VAL 27 Ca 0.00 0.66 -0.00 0.00 -0.01 0.00 0.00 64.34 64.98 1n4i n VAL 27 Cb 0.00 -0.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.88 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 -6.56 -0.43 -1.63 4.52 2.15 -1.24 -2.49 116.67 110.99 1n4i s ASP 28 Ca 0.00 0.66 -0.13 0.00 0.43 0.00 0.00 52.55 53.51 1n4i s ASP 28 Cb 0.00 1.27 0.11 0.00 -0.30 0.00 0.00 42.92 44.01 1n4i s ASP 28 CO 0.00 -0.10 0.65 0.29 -0.17 0.00 0.00 175.17 175.83 1n4i n LYS 29 N 3.93 -2.98 -4.26 4.34 5.02 -1.26 0.48 118.16 123.43 1n4i n LYS 29 Ca -0.16 0.36 -0.16 0.00 -2.02 0.00 0.00 58.31 56.32 1n4i n LYS 29 Cb 0.56 -4.86 -0.10 0.00 -0.02 0.00 0.00 35.03 30.61 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 -3.62 1.98 -0.37 4.39 0.01 -1.26 -1.25 113.70 113.59 1n4i s SER 30 Ca 0.52 -0.93 0.04 0.00 1.31 0.00 0.00 55.95 56.89 1n4i s SER 30 Cb -0.29 -0.05 0.11 0.00 0.21 0.00 0.00 66.02 66.00 1n4i s SER 30 CO 0.93 -0.23 0.09 -1.61 0.41 0.00 0.00 173.24 172.83 1n4i s GLU 31 N -3.26 1.50 0.24 12.44 2.02 -1.05 -1.04 118.70 129.55 1n4i s GLU 31 Ca 0.14 -1.95 0.05 0.00 0.02 0.00 0.00 54.97 53.23 1n4i s GLU 31 Cb -0.01 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 1n4i s GLU 31 CO 0.03 -0.98 0.36 0.08 0.02 0.00 0.00 175.26 174.77 1n4i s VAL 32 N 0.74 5.26 0.00 2.63 1.01 -1.21 -1.61 120.40 127.22 1n4i s VAL 32 Ca 0.12 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1n4i s VAL 32 Cb -0.20 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1n4i s VAL 32 CO -0.08 -0.32 0.00 -1.22 0.00 0.00 0.00 175.10 173.48 1n4i n TYR 33 N -1.39 0.00 -2.30 5.22 4.02 -1.20 -4.32 117.16 117.20 1n4i n TYR 33 Ca -0.09 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.81 1n4i n TYR 33 Cb 0.57 0.28 -0.01 0.00 -0.02 0.00 0.00 39.34 40.16 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 1.58 0.82 3.80 2.72 0.00 -1.25 -1.26 105.19 111.60 1n4i n GLY 34 Ca 0.00 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 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 3.70 -0.80 2.61 2.01 -1.02 -2.47 115.64 119.66 1n4i s THR 35 Ca 0.20 0.83 0.01 0.00 0.31 0.00 0.00 61.69 63.04 1n4i s THR 35 Cb 0.23 -3.34 0.20 0.00 0.01 0.00 0.00 72.50 69.60 1n4i s THR 35 CO -0.10 -0.46 0.64 -0.89 -0.69 0.00 0.00 174.62 173.13 1n4i s THR 36 N -2.38 3.70 0.66 -0.82 2.01 0.29 -3.21 115.64 115.89 1n4i s THR 36 Ca 0.65 -4.01 -0.17 0.00 0.31 0.00 0.00 61.69 58.46 1n4i s THR 36 Cb -0.17 -3.34 -0.00 0.00 0.01 0.00 0.00 72.50 68.99 1n4i s THR 36 CO 0.36 -1.04 1.22 0.00 -0.69 0.00 0.00 174.62 174.47 1n4i n THR 38 N -2.12 1.35 0.00 0.00 -1.04 -1.21 -2.66 114.28 108.60 1n4i n THR 38 Ca 0.14 -3.06 0.00 0.00 -2.04 0.00 0.00 64.05 59.09 1n4i n THR 38 Cb 0.50 1.02 0.00 0.00 -1.82 0.00 0.00 70.33 70.03 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 -0.55 1.65 0.00 3.41 0.00 -0.42 -4.67 105.19 104.61 1n4i n GLY 39 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.43 -3.59 1.61 7.64 -0.93 -4.82 113.62 113.96 1n4i n SER 40 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1n4i n SER 40 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1n4i n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i s ARG 41 N 1.75 0.15 0.00 1.43 1.04 -1.26 -3.76 118.95 118.30 1n4i s ARG 41 Ca 0.00 -0.08 0.00 0.00 -1.04 0.00 0.00 55.73 54.61 1n4i s ARG 41 Cb 0.00 0.06 0.00 0.00 -2.04 0.00 0.00 34.95 32.97 1n4i s ARG 41 CO 0.00 -0.07 0.00 1.19 -0.04 0.00 0.00 175.30 176.38 1n4i n PHE 42 N -0.41 0.00 -2.64 5.89 3.72 -1.26 -4.16 117.46 118.60 1n4i n PHE 42 Ca -0.07 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.30 1n4i n PHE 42 Cb 0.62 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 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 -1.25 -1.08 0.00 4.37 2.03 -1.17 -3.66 116.55 115.80 1n4i n ASP 43 Ca 0.00 -1.66 0.00 0.00 0.52 0.00 0.00 54.79 53.65 1n4i n ASP 43 Cb 0.00 0.87 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 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 -0.50 0.41 0.00 0.27 0.00 0.18 -4.21 105.19 101.33 1n4i n GLY 44 Ca -0.22 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.38 -0.86 118.33 116.24 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 0.10 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 -2.24 3.34 -1.04 0.73 -2.52 114.28 112.55 1n4i n THR 46 Ca 0.00 -1.15 -0.26 0.00 -2.04 0.00 0.00 64.05 60.61 1n4i n THR 46 Cb 0.00 1.26 0.06 0.00 -1.82 0.00 0.00 70.33 69.84 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 2.44 0.00 12.58 2.07 -0.63 -2.75 121.20 135.08 1n4i s ILE 47 Ca 0.20 -0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 1n4i s ILE 47 Cb 0.29 -3.05 0.00 0.00 0.13 0.00 0.00 42.46 39.83 1n4i s ILE 47 CO -0.11 -0.05 0.00 0.35 -1.91 0.00 0.00 174.94 173.22 1n4i n THR 48 N -2.86 0.00 -1.43 4.00 -2.24 0.69 -3.22 114.28 109.22 1n4i n THR 48 Ca 0.08 0.00 -0.56 0.00 -2.27 0.00 0.00 64.05 61.30 1n4i n THR 48 Cb 0.60 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.13 -3.58 4.28 -1.04 -1.26 -2.45 114.28 110.36 1n4i n THR 49 Ca 0.00 -0.12 -0.06 0.00 -2.04 0.00 0.00 64.05 61.83 1n4i n THR 49 Cb 0.00 -1.11 -0.02 0.00 -1.82 0.00 0.00 70.33 67.37 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 6.08 -0.19 -0.10 8.00 0.15 -1.03 0.25 113.70 126.85 1n4i s SER 50 Ca 1.11 0.04 0.03 0.00 0.70 0.00 0.00 55.95 57.83 1n4i s SER 50 Cb -1.15 0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 63.34 1n4i s SER 50 CO 0.59 -0.30 -0.19 -0.89 1.20 0.00 0.00 173.24 173.65 1n4i s THR 51 N -2.35 2.57 -0.10 6.45 2.01 0.47 -0.55 115.64 124.14 1n4i s THR 51 Ca 0.08 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 1n4i s THR 51 Cb -0.01 -2.02 0.05 0.00 0.01 0.00 0.00 72.50 70.53 1n4i s THR 51 CO -0.05 0.55 0.23 -0.94 -0.69 0.00 0.00 174.62 173.71 1n4i s SER 52 N 0.18 0.08 -0.23 3.53 1.04 -1.24 0.28 113.70 117.34 1n4i s SER 52 Ca -0.11 0.49 -0.07 0.00 0.48 0.00 0.00 55.95 56.74 1n4i s SER 52 Cb -0.16 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 1n4i s SER 52 CO 0.06 -0.20 0.06 -0.89 0.98 0.00 0.00 173.24 173.26 1n4i s THR 53 N 1.74 4.44 -0.32 2.02 2.01 -0.70 -4.16 115.64 120.67 1n4i s THR 53 Ca -0.04 -0.14 -0.23 0.00 0.31 0.00 0.00 61.69 61.59 1n4i s THR 53 Cb -0.11 -3.05 0.03 0.00 0.01 0.00 0.00 72.50 69.38 1n4i s THR 53 CO -0.08 0.38 0.44 0.61 -0.69 0.00 0.00 174.62 175.28 1n4i n GLY 54 N 4.45 -0.48 3.56 4.40 0.00 -1.26 0.26 105.19 116.12 1n4i n GLY 54 Ca -0.16 0.84 -0.07 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.55 -0.86 -0.47 1.61 1.04 -1.26 -2.04 113.70 110.17 1n4i s SER 55 Ca 0.24 1.39 -0.19 0.00 0.48 0.00 0.00 55.95 57.86 1n4i s SER 55 Cb -0.03 1.34 0.04 0.00 0.10 0.00 0.00 66.02 67.47 1n4i s SER 55 CO 0.63 -0.23 0.59 -0.60 0.98 0.00 0.00 173.24 174.61 1n4i s ARG 56 N 1.72 3.15 -0.01 4.02 3.52 -1.26 -4.25 118.95 125.83 1n4i s ARG 56 Ca -0.09 -0.74 0.05 0.00 -0.13 0.00 0.00 55.73 54.82 1n4i s ARG 56 Cb -0.06 -4.03 0.16 0.00 -1.56 0.00 0.00 34.95 29.45 1n4i s ARG 56 CO -0.18 -1.09 1.04 -0.89 -0.81 0.00 0.00 175.30 173.37 1n4i n ILE 57 N 5.64 0.33 -1.45 4.11 -0.00 -1.26 -2.12 119.36 124.60 1n4i n ILE 57 Ca -0.05 -0.25 -0.47 0.00 -0.00 0.00 0.00 62.75 61.97 1n4i n ILE 57 Cb 0.46 -0.03 -0.03 0.00 -0.00 0.00 0.00 39.64 40.05 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 0.03 -0.58 0.00 4.38 7.64 -1.26 -4.66 113.62 119.17 1n4i n SER 58 Ca 0.06 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1n4i n SER 58 Cb 0.22 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 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 1.80 -0.16 2.60 0.23 0.00 -1.20 -4.71 105.19 103.76 1n4i n GLY 59 Ca 0.16 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.36 2.68 -0.25 1.61 -0.04 -1.26 -3.83 135.00 133.55 1n4i n PRO 60 Ca 0.00 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1n4i n PRO 60 Cb 0.00 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 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 3.87 0.69 0.00 0.55 0.00 -0.04 -4.95 105.19 105.31 1n4i n GLY 61 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 2.95 -0.19 0.00 -0.14 -1.26 0.26 119.74 121.36 1n4i s LYS 63 Ca 0.00 -0.51 -0.09 0.00 -1.36 0.00 0.00 55.97 54.00 1n4i s LYS 63 Cb 0.00 -2.79 0.07 0.00 -1.68 0.00 0.00 37.83 33.44 1n4i s LYS 63 CO 0.00 0.65 0.45 0.42 -0.76 0.00 0.00 175.35 176.11 1n4i s ILE 64 N -1.10 -0.21 -0.13 2.17 1.01 -1.11 -4.51 121.20 117.32 1n4i s ILE 64 Ca 0.20 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.94 1n4i s ILE 64 Cb -0.12 -0.68 0.04 0.00 0.01 0.00 0.00 42.46 41.71 1n4i s ILE 64 CO 0.10 0.04 -0.04 -0.94 0.00 0.00 0.00 174.94 174.10 1n4i s SER 65 N 1.78 2.39 -0.30 3.58 1.04 -1.26 -0.22 113.70 120.70 1n4i s SER 65 Ca -0.08 -0.45 -0.09 0.00 0.48 0.00 0.00 55.95 55.82 1n4i s SER 65 Cb -0.09 -0.77 0.01 0.00 0.10 0.00 0.00 66.02 65.27 1n4i s SER 65 CO -0.14 -0.18 0.24 0.41 0.98 0.00 0.00 173.24 174.55 1n4i n THR 66 N 4.97 -9.06 -3.61 2.02 -1.04 0.70 -3.78 114.28 104.48 1n4i n THR 66 Ca -0.11 1.15 -0.15 0.00 -2.04 0.00 0.00 64.05 62.90 1n4i n THR 66 Cb 0.49 -5.94 -0.14 0.00 -1.82 0.00 0.00 70.33 62.93 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 5.34 4.08 -1.96 0.00 -0.00 -1.23 -0.40 119.36 125.19 1n4i n ILE 68 Ca -0.05 -4.16 -0.30 0.00 -0.00 0.00 0.00 62.75 58.23 1n4i n ILE 68 Cb 0.50 -2.44 0.01 0.00 -0.00 0.00 0.00 39.64 37.71 1n4i n ILE 68 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1n4i s ILE 69 N 1.84 4.60 -0.30 1.39 1.01 0.79 -2.08 121.20 128.44 1n4i s ILE 69 Ca 0.44 0.75 0.06 0.00 0.00 0.00 0.00 60.65 61.90 1n4i s ILE 69 Cb 0.06 -3.83 0.19 0.00 0.01 0.00 0.00 42.46 38.90 1n4i s ILE 69 CO -0.00 -1.06 0.57 -0.89 0.00 0.00 0.00 174.94 173.55 1n4i s THR 70 N -3.15 -0.94 0.00 2.92 2.01 0.15 -1.72 115.64 114.93 1n4i s THR 70 Ca 0.54 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1n4i s THR 70 Cb -0.11 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1n4i s THR 70 CO 0.53 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1n4i n GLY 71 N 5.29 1.12 1.76 4.40 0.00 0.73 -3.80 105.19 114.69 1n4i n GLY 71 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.98 0.51 3.18 -0.02 0.00 -0.87 -3.99 105.19 103.03 1n4i n GLY 72 Ca 0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 1.61 -0.25 1.61 -7.23 -1.25 -4.50 120.40 108.39 1n4i s VAL 73 Ca 0.00 -0.82 -0.24 0.00 -1.81 0.00 0.00 61.98 59.11 1n4i s VAL 73 Cb 0.00 -1.37 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 1n4i s VAL 73 CO 0.00 0.46 0.80 -2.16 -0.31 0.00 0.00 175.10 173.89 1n4i s PRO 74 N -0.08 4.17 0.80 4.82 0.04 -1.26 0.35 135.00 143.83 1n4i s PRO 74 Ca -0.02 0.88 -0.12 0.00 0.04 0.00 0.00 61.00 61.78 1n4i s PRO 74 Cb -0.12 -3.65 0.07 0.00 0.04 0.00 0.00 34.50 30.85 1n4i s PRO 74 CO 0.02 -0.51 1.13 0.00 0.04 0.00 0.00 177.00 177.67 1n4i s ALA 75 N 2.81 2.41 -1.05 8.56 0.00 -0.89 -4.89 121.76 128.71 1n4i s ALA 75 Ca 0.34 -0.42 -0.24 0.00 0.00 0.00 0.00 51.96 51.64 1n4i s ALA 75 Cb -0.15 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 1n4i s ALA 75 CO 0.08 -1.69 1.97 -1.25 0.00 0.00 0.00 175.76 174.87 1n4i s PRO 76 N -5.34 2.41 0.00 0.00 0.04 -1.26 -4.63 135.00 126.22 1n4i s PRO 76 Ca 0.61 -0.71 0.28 0.00 0.04 0.00 0.00 61.00 61.22 1n4i s PRO 76 Cb -0.13 -5.14 1.02 0.00 0.04 0.00 0.00 34.50 30.30 1n4i s PRO 76 CO 0.52 -3.85 1.74 0.43 0.04 0.00 0.00 177.00 175.88 1n4i n SER 77 N 14.70 0.51 -1.89 6.66 7.64 -1.26 -4.89 113.62 135.09 1n4i n SER 77 Ca 0.43 -0.44 -0.04 0.00 1.01 0.00 0.00 58.87 59.83 1n4i n SER 77 Cb 0.47 -0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.62 1n4i n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i n ALA 78 N -1.06 -0.55 0.00 -0.43 0.00 -1.26 -4.13 120.51 113.08 1n4i n ALA 78 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1n4i n ALA 78 Cb 0.31 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.60 0.14 -0.82 0.00 0.00 -1.26 -5.13 120.51 111.85 1n4i n ALA 79 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 1n4i n ALA 79 Cb 0.36 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.11 1.77 -2.82 0.00 0.00 -1.25 -5.01 118.16 110.73 1n4i n LYS 81 Ca -0.00 0.01 -0.28 0.00 -0.00 0.00 0.00 58.31 58.04 1n4i n LYS 81 Cb 0.67 -1.29 0.03 0.00 -0.00 0.00 0.00 35.03 34.44 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 -2.53 -2.68 0.00 0.58 5.41 -1.26 -4.93 119.36 113.95 1n4i n ILE 82 Ca -0.20 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1n4i n ILE 82 Cb 0.84 -2.45 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 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 0.05 0.00 -1.30 4.38 7.64 -1.26 -4.90 113.62 118.23 1n4i n SER 83 Ca -0.07 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.82 1n4i n SER 83 Cb 0.49 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.89 1n4i n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n4i n GLY 84 N 4.32 2.42 0.00 0.23 0.00 -1.26 -4.89 105.19 106.01 1n4i n GLY 84 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.40 0.00 -4.67 0.00 5.66 -1.26 -5.03 114.28 108.58 1n4i n THR 86 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1n4i n THR 86 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 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 -1.88 2.24 0.00 1.09 0.08 -1.25 -4.11 117.98 114.14 1n4i s PHE 87 Ca 0.00 -0.80 0.04 0.00 0.12 0.00 0.00 56.93 56.29 1n4i s PHE 87 Cb 0.00 -1.69 0.06 0.00 -0.57 0.00 0.00 43.02 40.82 1n4i s PHE 87 CO 0.00 0.34 0.83 0.45 -0.10 0.00 0.00 175.22 176.74 1n4i n SER 88 N -1.08 -0.16 -3.76 1.36 2.88 -0.90 -4.80 113.62 107.15 1n4i n SER 88 Ca -0.11 -1.61 -0.33 0.00 -1.33 0.00 0.00 58.87 55.49 1n4i n SER 88 Cb 0.67 0.01 0.03 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.07 -2.60 0.00 -1.46 0.00 -1.26 -4.47 120.51 110.80 1n4i n ALA 89 Ca -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1n4i n ALA 89 Cb 0.68 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.93 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77