#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 5.46 3.11 6.12 0.00 -1.26 -4.89 105.19 113.72 1n4i n GLY 2 Ca 0.00 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1n4i n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n4i s SER 3 N 1.12 4.82 0.01 1.61 0.15 -1.26 -4.09 113.70 116.05 1n4i s SER 3 Ca 0.00 -1.59 0.24 0.00 0.70 0.00 0.00 55.95 55.30 1n4i s SER 3 Cb 0.00 -1.68 0.26 0.00 -1.71 0.00 0.00 66.02 62.90 1n4i s SER 3 CO 0.00 -0.31 1.24 0.00 1.20 0.00 0.00 173.24 175.37 1n4i n THR 5 N -1.57 0.00 -3.99 0.00 -1.04 -1.26 -3.77 114.28 102.65 1n4i n THR 5 Ca 0.05 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.76 1n4i n THR 5 Cb 0.35 -0.47 -0.08 0.00 -1.82 0.00 0.00 70.33 68.32 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 -0.31 -0.09 0.00 8.00 6.94 -1.25 0.26 115.26 128.81 1n4i n ASN 6 Ca -0.01 -1.04 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 1n4i n ASN 6 Cb 0.21 -1.31 0.00 0.00 -2.36 0.00 0.00 39.78 36.32 1n4i n ASN 6 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1n4i n THR 7 N -3.74 0.00 0.00 5.53 -1.04 -1.25 -1.86 114.28 111.93 1n4i n THR 7 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1n4i n THR 7 Cb 0.49 0.00 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 1.13 0.00 0.00 8.00 2.85 0.72 -4.93 115.26 123.03 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 1.15 -1.70 1.20 7.64 0.57 -4.89 113.62 117.60 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 2.00 -2.72 1.43 6.02 -1.23 -4.25 117.38 118.64 1n4i n GLN 10 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 1n4i n GLN 10 Cb 0.00 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 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 0.00 -2.37 -1.63 1.08 -0.00 -0.68 -3.88 117.00 109.51 1n4i n LEU 11 Ca 0.00 -2.86 -0.02 0.00 -0.00 0.00 0.00 56.01 53.12 1n4i n LEU 11 Cb 0.00 0.77 -0.01 0.00 -0.00 0.00 0.00 43.42 44.18 1n4i n LEU 11 CO 0.00 1.87 -0.03 -1.54 -0.00 0.00 0.00 177.39 177.70 1n4i n SER 12 N 1.51 -1.02 -1.51 1.96 3.41 0.73 -1.23 113.62 117.46 1n4i n SER 12 Ca 0.06 0.21 -0.02 0.00 -0.26 0.00 0.00 58.87 58.87 1n4i n SER 12 Cb 0.66 -1.19 -0.01 0.00 -0.26 0.00 0.00 64.21 63.41 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 -1.40 -0.33 0.00 7.33 0.00 -1.26 -4.05 120.51 120.80 1n4i n ALA 13 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n4i n ALA 13 Cb 0.26 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1n4i n ALA 13 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1n4i n ASN 14 N 0.05 0.00 -2.64 0.00 0.23 -0.37 -4.97 115.26 107.56 1n4i n ASN 14 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 1n4i n ASN 14 Cb 0.20 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 1n4i n ASN 14 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1n4i n SER 15 N 0.00 -0.88 -4.07 0.53 2.88 -0.45 -4.78 113.62 106.85 1n4i n SER 15 Ca 0.00 -0.42 -0.32 0.00 -1.33 0.00 0.00 58.87 56.79 1n4i n SER 15 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1n4i n SER 15 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1n4i s LYS 16 N -2.60 2.07 0.00 -1.46 3.01 -0.88 -4.12 119.74 115.76 1n4i s LYS 16 Ca 0.00 -1.48 0.00 0.00 -1.01 0.00 0.00 55.97 53.48 1n4i s LYS 16 Cb 0.00 -3.01 0.00 0.00 -1.01 0.00 0.00 37.83 33.81 1n4i s LYS 16 CO 0.00 -0.67 0.00 0.00 0.51 0.00 0.00 175.35 175.19 1n4i n GLU 18 N 0.00 -3.25 -2.85 0.00 4.71 -1.26 -4.70 120.64 113.28 1n4i n GLU 18 Ca 0.00 2.56 -0.11 0.00 -0.01 0.00 0.00 57.16 59.60 1n4i n GLU 18 Cb 0.00 -3.32 0.06 0.00 -1.01 0.00 0.00 31.44 27.17 1n4i n GLU 18 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1n4i n LYS 19 N 1.16 -3.11 -4.43 3.49 4.81 -1.26 -4.92 118.16 113.91 1n4i n LYS 19 Ca -0.07 0.59 -0.26 0.00 -0.87 0.00 0.00 58.31 57.70 1n4i n LYS 19 Cb 0.11 -4.66 -0.11 0.00 0.02 0.00 0.00 35.03 30.38 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 -3.61 3.53 -0.45 3.14 0.01 -1.25 -3.91 113.70 111.15 1n4i s SER 20 Ca 0.15 -0.89 0.05 0.00 1.31 0.00 0.00 55.95 56.57 1n4i s SER 20 Cb -0.02 -0.30 0.18 0.00 0.21 0.00 0.00 66.02 66.09 1n4i s SER 20 CO 0.51 0.10 0.52 -0.89 0.41 0.00 0.00 173.24 173.89 1n4i s THR 21 N -1.90 -0.40 0.00 1.44 2.01 -1.24 -5.03 115.64 110.52 1n4i s THR 21 Ca 0.23 -1.56 0.00 0.00 0.31 0.00 0.00 61.69 60.67 1n4i s THR 21 Cb -0.07 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.87 1n4i s THR 21 CO 0.12 -0.56 0.00 0.00 -0.69 0.00 0.00 174.62 173.49 1n4i n LEU 22 N 3.19 0.00 -3.27 4.42 -0.00 -1.25 -3.76 117.00 116.32 1n4i n LEU 22 Ca 0.21 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.25 1n4i n LEU 22 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.91 1n4i n LEU 22 CO 0.04 0.00 0.39 -0.89 -0.00 0.00 0.00 177.39 176.93 1n4i s THR 23 N -0.10 -0.71 0.34 1.47 2.01 0.27 -4.81 115.64 114.11 1n4i s THR 23 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1n4i s THR 23 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1n4i s THR 23 CO 0.00 0.00 0.00 0.59 -0.69 0.00 0.00 174.62 174.52 1n4i n ASN 24 N 5.35 -9.23 0.00 3.53 5.03 -0.78 -0.23 115.26 118.94 1n4i n ASN 24 Ca -0.06 1.40 0.00 0.00 0.87 0.00 0.00 54.58 56.79 1n4i n ASN 24 Cb 0.52 -5.13 0.00 0.00 -1.02 0.00 0.00 39.78 34.15 1n4i n ASN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n4i n TYR 26 N 3.19 -0.19 -1.79 0.00 9.36 -1.22 -3.47 117.16 123.05 1n4i n TYR 26 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1n4i n TYR 26 Cb 0.00 0.33 0.00 0.00 -0.63 0.00 0.00 39.34 39.04 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 -2.16 -5.05 -3.82 2.97 0.31 -1.26 -1.38 118.33 107.94 1n4i n VAL 27 Ca 0.00 2.33 -0.20 0.00 -0.01 0.00 0.00 64.34 66.47 1n4i n VAL 27 Cb 0.00 -3.09 -0.17 0.00 -0.91 0.00 0.00 33.84 29.67 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 -2.53 0.96 -1.34 4.52 -1.08 -0.98 0.26 116.67 116.47 1n4i s ASP 28 Ca 0.00 -0.02 -0.18 0.00 -0.52 0.00 0.00 52.55 51.84 1n4i s ASP 28 Cb 0.00 -0.27 0.02 0.00 -1.46 0.00 0.00 42.92 41.21 1n4i s ASP 28 CO 0.00 -0.17 0.43 0.29 0.52 0.00 0.00 175.17 176.24 1n4i n LYS 29 N 4.74 -0.95 -4.23 4.34 5.02 -1.26 0.11 118.16 125.94 1n4i n LYS 29 Ca -0.15 0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 1n4i n LYS 29 Cb 0.50 -3.28 -0.10 0.00 -0.02 0.00 0.00 35.03 32.13 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 -3.92 1.20 0.00 4.39 0.01 -1.26 -1.66 113.70 112.46 1n4i s SER 30 Ca 0.27 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1n4i s SER 30 Cb -0.14 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1n4i s SER 30 CO 0.96 -0.55 0.00 1.21 0.41 0.00 0.00 173.24 175.28 1n4i n GLU 31 N -0.20 0.00 -1.78 12.44 2.13 -1.20 -3.59 120.64 128.45 1n4i n GLU 31 Ca -0.08 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1n4i n GLU 31 Cb 0.63 -0.53 0.00 0.00 0.27 0.00 0.00 31.44 31.81 1n4i n GLU 31 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1n4i n VAL 32 N -2.31 -5.77 0.00 6.31 0.31 0.52 -2.08 118.33 115.31 1n4i n VAL 32 Ca 0.00 2.65 0.00 0.00 -0.01 0.00 0.00 64.34 66.98 1n4i n VAL 32 Cb 0.00 -3.62 0.00 0.00 -0.91 0.00 0.00 33.84 29.31 1n4i n VAL 32 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1n4i n TYR 33 N -0.67 0.00 -0.60 3.52 4.02 -1.18 -4.44 117.16 117.81 1n4i n TYR 33 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 1n4i n TYR 33 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 39.46 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 0.85 3.76 3.80 2.72 0.00 -0.50 -3.84 105.19 111.97 1n4i n GLY 34 Ca 0.00 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.37 3.51 -0.62 2.61 2.01 0.23 -3.50 115.64 117.50 1n4i s THR 35 Ca 0.41 0.49 0.04 0.00 0.31 0.00 0.00 61.69 62.94 1n4i s THR 35 Cb 0.34 -3.17 0.36 0.00 0.01 0.00 0.00 72.50 70.04 1n4i s THR 35 CO 0.08 -0.64 1.15 0.41 -0.69 0.00 0.00 174.62 174.93 1n4i n THR 36 N -3.35 3.36 -1.50 -0.82 -1.04 -1.06 -3.71 114.28 106.15 1n4i n THR 36 Ca 0.08 -5.44 -0.37 0.00 -2.04 0.00 0.00 64.05 56.28 1n4i n THR 36 Cb 0.54 -1.38 -0.16 0.00 -1.82 0.00 0.00 70.33 67.51 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 7.11 3.24 -1.01 0.00 -1.04 -1.22 0.94 114.28 122.30 1n4i n THR 38 Ca 0.65 -2.72 0.00 0.00 -2.04 0.00 0.00 64.05 59.94 1n4i n THR 38 Cb 0.07 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 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 0.96 0.74 0.00 3.41 0.00 0.69 -4.34 105.19 106.64 1n4i n GLY 39 Ca 0.46 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1n4i n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4i n SER 40 N 1.35 0.00 -3.53 1.61 3.41 -1.23 -4.76 113.62 110.47 1n4i n SER 40 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1n4i n SER 40 Cb 0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1n4i n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4i s ARG 41 N 3.46 0.74 0.49 4.33 1.70 -1.26 -3.37 118.95 125.04 1n4i s ARG 41 Ca 0.00 -0.12 0.02 0.00 -0.47 0.00 0.00 55.73 55.16 1n4i s ARG 41 Cb 0.00 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1n4i s ARG 41 CO 0.00 -0.29 0.01 -0.06 -1.08 0.00 0.00 175.30 173.88 1n4i s PHE 42 N -2.35 2.00 -0.45 5.89 0.08 -1.26 -2.84 117.98 119.05 1n4i s PHE 42 Ca 0.02 -0.89 0.07 0.00 0.12 0.00 0.00 56.93 56.24 1n4i s PHE 42 Cb -0.01 -1.65 0.31 0.00 -0.57 0.00 0.00 43.02 41.10 1n4i s PHE 42 CO -0.05 0.27 1.03 -0.25 -0.10 0.00 0.00 175.22 176.13 1n4i n ASP 43 N -1.21 -2.05 -0.23 1.36 8.00 -1.22 -2.33 116.55 118.87 1n4i n ASP 43 Ca -0.16 -3.55 0.00 0.00 0.71 0.00 0.00 54.79 51.79 1n4i n ASP 43 Cb 0.67 1.60 0.00 0.00 -0.02 0.00 0.00 41.12 43.37 1n4i n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n4i n GLY 44 N 0.57 0.72 0.00 0.44 0.00 0.30 -2.11 105.19 105.11 1n4i n GLY 44 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.17 0.00 -2.69 1.61 0.24 -0.66 -2.46 118.33 114.18 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 0.08 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.53 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 -1.93 3.34 -1.04 -1.05 -3.21 114.28 110.39 1n4i n THR 46 Ca 0.00 -1.19 -0.29 0.00 -2.04 0.00 0.00 64.05 60.53 1n4i n THR 46 Cb 0.00 1.05 0.11 0.00 -1.82 0.00 0.00 70.33 69.67 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 0.16 2.02 0.00 12.58 2.07 -1.26 -2.94 121.20 133.83 1n4i s ILE 47 Ca 0.18 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.39 1n4i s ILE 47 Cb 0.28 -3.00 0.00 0.00 0.13 0.00 0.00 42.46 39.88 1n4i s ILE 47 CO -0.08 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.30 1n4i n THR 48 N -3.41 0.00 -2.08 4.00 -2.24 -1.21 -0.36 114.28 108.99 1n4i n THR 48 Ca 0.10 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 1n4i n THR 48 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 3.83 -4.60 4.28 -1.04 -1.26 0.75 114.28 116.24 1n4i n THR 49 Ca 0.00 -3.66 -0.22 0.00 -2.04 0.00 0.00 64.05 58.12 1n4i n THR 49 Cb 0.00 -2.49 -0.15 0.00 -1.82 0.00 0.00 70.33 65.87 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 2.54 1.77 -0.03 8.00 0.01 -1.23 -3.04 113.70 121.72 1n4i s SER 50 Ca 0.45 -0.33 -0.20 0.00 1.31 0.00 0.00 55.95 57.18 1n4i s SER 50 Cb 0.11 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 66.11 1n4i s SER 50 CO -0.04 0.14 0.57 -0.89 0.41 0.00 0.00 173.24 173.44 1n4i s THR 51 N -0.50 4.99 -0.07 1.44 2.01 -0.99 -2.55 115.64 119.97 1n4i s THR 51 Ca 0.05 1.18 -0.03 0.00 0.31 0.00 0.00 61.69 63.20 1n4i s THR 51 Cb -0.06 -3.91 0.04 0.00 0.01 0.00 0.00 72.50 68.58 1n4i s THR 51 CO 0.00 0.39 0.13 -0.94 -0.69 0.00 0.00 174.62 173.51 1n4i s SER 52 N 0.04 0.76 -0.69 3.53 1.04 -1.23 0.27 113.70 117.43 1n4i s SER 52 Ca 0.30 0.26 -0.13 0.00 0.48 0.00 0.00 55.95 56.86 1n4i s SER 52 Cb -0.17 0.15 0.18 0.00 0.10 0.00 0.00 66.02 66.28 1n4i s SER 52 CO 0.16 -0.24 0.61 -0.89 0.98 0.00 0.00 173.24 173.86 1n4i s THR 53 N 2.14 5.12 -0.25 2.02 2.01 -0.62 -3.38 115.64 122.68 1n4i s THR 53 Ca 0.02 -2.21 -0.03 0.00 0.31 0.00 0.00 61.69 59.78 1n4i s THR 53 Cb -0.12 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.17 1n4i s THR 53 CO -0.05 -0.94 0.06 0.61 -0.69 0.00 0.00 174.62 173.61 1n4i n GLY 54 N 4.34 -4.43 3.62 4.40 0.00 -1.26 0.99 105.19 112.85 1n4i n GLY 54 Ca 0.04 0.72 -0.02 0.00 0.00 0.00 0.00 46.02 46.76 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 -1.23 -1.04 -0.62 1.61 1.04 -1.26 -1.75 113.70 110.45 1n4i s SER 55 Ca -0.07 1.47 -0.28 0.00 0.48 0.00 0.00 55.95 57.56 1n4i s SER 55 Cb 0.00 2.05 0.02 0.00 0.10 0.00 0.00 66.02 68.19 1n4i s SER 55 CO 0.71 -0.21 1.36 -0.60 0.98 0.00 0.00 173.24 175.48 1n4i s ARG 56 N 2.59 3.27 0.00 4.02 3.52 -1.26 -4.12 118.95 126.96 1n4i s ARG 56 Ca -0.06 0.24 0.03 0.00 -0.13 0.00 0.00 55.73 55.80 1n4i s ARG 56 Cb -0.10 -4.13 0.17 0.00 -1.56 0.00 0.00 34.95 29.33 1n4i s ARG 56 CO -0.19 -2.00 1.04 -0.89 -0.81 0.00 0.00 175.30 172.46 1n4i n ILE 57 N 6.72 0.00 -1.26 4.11 2.08 -1.13 -2.69 119.36 127.19 1n4i n ILE 57 Ca 0.10 0.00 -0.39 0.00 0.56 0.00 0.00 62.75 63.02 1n4i n ILE 57 Cb 0.49 -0.08 0.01 0.00 -0.75 0.00 0.00 39.64 39.31 1n4i n ILE 57 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1n4i n SER 58 N -0.55 -3.53 0.00 4.38 3.41 -1.26 -4.41 113.62 111.67 1n4i n SER 58 Ca 0.02 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 1n4i n SER 58 Cb 0.01 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 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 2.48 2.84 2.48 5.00 0.00 -0.90 -4.35 105.19 112.76 1n4i n GLY 59 Ca 0.08 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.60 2.13 0.00 1.61 -0.04 -1.26 -2.95 135.00 133.89 1n4i n PRO 60 Ca 0.00 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1n4i n PRO 60 Cb 0.00 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 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 3.52 1.86 3.33 0.55 0.00 -1.24 -5.10 105.19 108.12 1n4i n GLY 61 Ca 0.45 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.32 0.36 0.15 0.00 2.20 -1.16 -2.52 119.74 117.46 1n4i s LYS 63 Ca 0.61 0.71 0.06 0.00 -0.36 0.00 0.00 55.97 56.99 1n4i s LYS 63 Cb -0.52 -0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 35.58 1n4i s LYS 63 CO 0.62 -0.53 -0.13 0.42 -0.36 0.00 0.00 175.35 175.36 1n4i s ILE 64 N 2.59 1.44 -0.28 5.43 1.09 -1.15 -4.69 121.20 125.63 1n4i s ILE 64 Ca 0.09 -1.96 0.00 0.00 -1.10 0.00 0.00 60.65 57.69 1n4i s ILE 64 Cb -0.14 -1.78 0.17 0.00 -1.06 0.00 0.00 42.46 39.65 1n4i s ILE 64 CO -0.15 -0.54 0.52 -0.55 -0.10 0.00 0.00 174.94 174.11 1n4i s SER 65 N -2.89 -0.81 -0.34 3.58 0.15 -1.26 -3.28 113.70 108.85 1n4i s SER 65 Ca 0.15 0.43 -0.10 0.00 0.70 0.00 0.00 55.95 57.13 1n4i s SER 65 Cb -0.02 1.75 0.01 0.00 -1.71 0.00 0.00 66.02 66.06 1n4i s SER 65 CO 0.04 -0.29 0.39 0.41 1.20 0.00 0.00 173.24 174.99 1n4i n THR 66 N 5.40 -9.80 -3.46 6.45 -1.04 -1.17 -4.11 114.28 106.55 1n4i n THR 66 Ca -0.00 0.93 -0.16 0.00 -2.04 0.00 0.00 64.05 62.77 1n4i n THR 66 Cb 0.51 -6.70 -0.12 0.00 -1.82 0.00 0.00 70.33 62.20 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 2.37 3.62 0.22 0.00 1.09 -1.26 -2.35 121.20 124.89 1n4i s ILE 68 Ca 0.08 -0.49 0.02 0.00 -1.10 0.00 0.00 60.65 59.16 1n4i s ILE 68 Cb -0.16 -4.38 -0.04 0.00 -1.06 0.00 0.00 42.46 36.83 1n4i s ILE 68 CO -0.15 -1.30 0.37 -0.63 -0.10 0.00 0.00 174.94 173.13 1n4i s ILE 69 N 8.24 5.24 -0.29 2.92 1.01 0.77 -1.06 121.20 138.04 1n4i s ILE 69 Ca 0.61 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1n4i s ILE 69 Cb -0.04 -3.79 0.17 0.00 0.01 0.00 0.00 42.46 38.81 1n4i s ILE 69 CO -0.04 -0.25 0.48 -0.89 0.00 0.00 0.00 174.94 174.24 1n4i s THR 70 N -1.92 -0.77 0.00 2.92 2.01 0.13 -1.59 115.64 116.41 1n4i s THR 70 Ca 0.36 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1n4i s THR 70 Cb -0.10 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1n4i s THR 70 CO 0.30 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 1n4i n GLY 71 N 5.38 1.02 2.13 4.40 0.00 0.28 -3.82 105.19 114.58 1n4i n GLY 71 Ca 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.64 0.56 3.11 -0.02 0.00 -0.72 -4.11 105.19 103.37 1n4i n GLY 72 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.01 1.43 0.48 1.61 -7.23 -1.25 -4.38 120.40 109.05 1n4i s VAL 73 Ca 0.00 -0.69 -0.17 0.00 -1.81 0.00 0.00 61.98 59.31 1n4i s VAL 73 Cb 0.00 -1.25 -0.08 0.00 0.56 0.00 0.00 36.38 35.61 1n4i s VAL 73 CO 0.00 0.42 0.95 -2.16 -0.31 0.00 0.00 175.10 174.00 1n4i s PRO 74 N 0.27 3.99 0.36 4.82 0.04 -1.26 0.17 135.00 143.39 1n4i s PRO 74 Ca -0.09 0.94 0.03 0.00 0.04 0.00 0.00 61.00 61.92 1n4i s PRO 74 Cb -0.14 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1n4i s PRO 74 CO 0.04 -0.19 0.54 0.00 0.04 0.00 0.00 177.00 177.42 1n4i s ALA 75 N -2.50 3.88 -1.12 8.56 0.00 -0.22 -4.88 121.76 125.48 1n4i s ALA 75 Ca 0.59 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 1n4i s ALA 75 Cb -0.10 -1.96 -0.06 0.00 0.00 0.00 0.00 23.12 21.00 1n4i s ALA 75 CO 0.27 -0.09 1.93 -0.35 0.00 0.00 0.00 175.76 177.52 1n4i n PRO 76 N -1.78 2.04 -4.63 0.00 -0.04 -1.26 -4.78 135.00 124.55 1n4i n PRO 76 Ca -0.02 -2.46 -0.34 0.00 -0.04 0.00 0.00 63.50 60.64 1n4i n PRO 76 Cb 0.57 -3.39 -0.11 0.00 -0.04 0.00 0.00 33.50 30.53 1n4i n PRO 76 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1n4i s SER 77 N 5.18 4.63 0.24 3.54 0.01 -1.26 -5.01 113.70 121.03 1n4i s SER 77 Ca 0.60 -0.03 0.12 0.00 1.31 0.00 0.00 55.95 57.95 1n4i s SER 77 Cb 0.07 -1.16 0.13 0.00 0.21 0.00 0.00 66.02 65.27 1n4i s SER 77 CO 0.09 0.36 1.47 0.00 0.41 0.00 0.00 173.24 175.57 1n4i h ALA 78 N 5.25 0.67 -0.01 1.44 0.00 -1.96 -3.10 119.26 121.55 1n4i h ALA 78 Ca -0.49 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1n4i h ALA 78 Cb 1.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1n4i h ALA 78 CO 0.52 0.85 -0.16 0.00 0.00 0.00 0.00 179.25 180.46 1n4i n ALA 79 N -2.32 2.90 -2.35 0.00 0.00 -1.26 -4.89 120.51 112.58 1n4i n ALA 79 Ca 0.00 -0.45 -0.34 0.00 0.00 0.00 0.00 53.44 52.65 1n4i n ALA 79 Cb 0.75 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 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 0.41 2.33 0.00 0.00 0.00 -1.26 -4.90 118.16 114.74 1n4i n LYS 81 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1n4i n LYS 81 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 1n4i n LYS 81 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1n4i n ILE 82 N -0.35 0.00 0.00 0.58 0.13 -1.26 -4.96 119.36 113.50 1n4i n ILE 82 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1n4i n ILE 82 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1n4i n ILE 82 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 1n4i n SER 83 N 0.00 0.00 -4.31 9.51 7.64 -1.26 -4.66 113.62 120.55 1n4i n SER 83 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 1n4i n SER 83 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 2.10 4.31 1.51 0.23 0.00 -1.26 -4.96 105.19 107.11 1n4i n GLY 84 Ca 0.00 -2.59 -0.04 0.00 0.00 0.00 0.00 46.02 43.39 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 -2.63 0.00 0.21 0.00 -1.32 -1.26 -5.02 115.64 105.62 1n4i s THR 86 Ca 0.07 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.61 1n4i s THR 86 Cb -0.02 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.92 1n4i s THR 86 CO 0.05 0.00 -0.10 -0.36 -2.21 0.00 0.00 174.62 172.00 1n4i s PHE 87 N -1.83 1.61 0.00 9.09 0.08 -1.25 -4.08 117.98 121.60 1n4i s PHE 87 Ca 0.11 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.48 1n4i s PHE 87 Cb -0.01 -0.82 0.00 0.00 -0.57 0.00 0.00 43.02 41.62 1n4i s PHE 87 CO -0.03 0.22 0.49 0.45 -0.10 0.00 0.00 175.22 176.24 1n4i n SER 88 N -0.37 0.00 0.00 1.36 2.88 -1.10 -4.80 113.62 111.59 1n4i n SER 88 Ca -0.08 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 1n4i n SER 88 Cb 0.61 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 0.00 0.00 0.00 -1.46 0.00 -1.26 -4.57 120.51 113.22 1n4i n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n4i n ALA 89 Cb 0.53 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77