#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 0.34 2.74 0.44 0.00 -1.26 -4.57 105.19 102.88 1n4i n GLY 2 Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 1n4i n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n4i s SER 3 N -4.00 1.29 0.00 1.61 0.01 -1.09 -4.89 113.70 106.64 1n4i s SER 3 Ca 0.00 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1n4i s SER 3 Cb 0.00 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1n4i s SER 3 CO 0.00 -0.20 0.00 0.00 0.41 0.00 0.00 173.24 173.45 1n4i n THR 5 N 0.00 0.00 0.19 0.00 -1.04 -1.26 -4.66 114.28 107.51 1n4i n THR 5 Ca 0.00 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.18 1n4i n THR 5 Cb 0.00 0.21 0.68 0.00 -1.82 0.00 0.00 70.33 69.39 1n4i n THR 5 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1n4i h ASN 6 N 0.00 0.00 -0.67 8.00 -1.07 -1.86 -0.86 115.58 119.13 1n4i h ASN 6 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 56.30 56.43 1n4i h ASN 6 Cb 0.30 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 36.47 1n4i h ASN 6 CO 0.00 0.00 -0.47 0.74 0.07 0.00 0.00 177.43 177.77 1n4i h THR 7 N 0.00 0.00 -0.49 6.14 2.02 -1.87 2.56 112.91 121.27 1n4i h THR 7 Ca 0.12 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.44 1n4i h THR 7 Cb 1.17 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1n4i h THR 7 CO -0.00 0.00 0.36 0.78 0.37 0.00 0.00 175.52 177.03 1n4i h ASN 8 N -0.10 0.00 0.00 4.18 4.21 -1.35 -3.38 115.58 119.14 1n4i h ASN 8 Ca 0.11 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.62 1n4i h ASN 8 Cb 0.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 1n4i h ASN 8 CO -0.68 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 173.92 1n4i n SER 9 N -4.31 0.00 0.00 5.81 3.41 0.86 -4.90 113.62 114.49 1n4i n SER 9 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1n4i n SER 9 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1n4i n SER 9 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1n4i n GLN 10 N 0.00 0.00 -2.27 4.33 7.27 -0.90 -4.95 117.38 120.86 1n4i n GLN 10 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 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 -2.24 -5.67 -4.74 1.69 7.94 0.13 -4.79 117.00 109.33 1n4i n LEU 11 Ca 0.00 2.69 -0.31 0.00 -1.11 0.00 0.00 56.01 57.28 1n4i n LEU 11 Cb 0.00 -3.02 0.11 0.00 0.53 0.00 0.00 43.42 41.04 1n4i n LEU 11 CO 0.00 -2.58 0.69 -0.55 -1.11 0.00 0.00 177.39 173.83 1n4i s SER 12 N -0.51 4.03 0.00 1.96 0.15 -1.17 -4.87 113.70 113.29 1n4i s SER 12 Ca 0.00 1.80 0.11 0.00 0.70 0.00 0.00 55.95 58.57 1n4i s SER 12 Cb 0.00 -2.46 0.53 0.00 -1.71 0.00 0.00 66.02 62.38 1n4i s SER 12 CO 0.00 -2.33 1.32 0.00 1.20 0.00 0.00 173.24 173.43 1n4i n ALA 13 N -3.71 1.60 0.86 5.45 0.00 -1.26 -1.68 120.51 121.77 1n4i n ALA 13 Ca 0.09 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1n4i n ALA 13 Cb 0.53 -1.19 -0.05 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 -1.40 0.79 -2.86 0.00 5.15 -1.26 -4.94 115.26 110.73 1n4i n ASN 14 Ca 0.04 -0.70 0.00 0.00 -0.60 0.00 0.00 54.58 53.32 1n4i n ASN 14 Cb 0.11 0.95 0.00 0.00 -0.53 0.00 0.00 39.78 40.31 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 -1.63 -0.12 -3.71 1.20 2.88 -0.68 -4.69 113.62 106.88 1n4i n SER 15 Ca 0.03 -0.27 -0.12 0.00 -1.33 0.00 0.00 58.87 57.19 1n4i n SER 15 Cb 0.37 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.99 0.47 -0.10 -1.46 1.02 -0.79 -4.92 119.74 112.97 1n4i s LYS 16 Ca 0.00 0.72 0.22 0.00 0.02 0.00 0.00 55.97 56.93 1n4i s LYS 16 Cb 0.00 0.12 0.45 0.00 -0.52 0.00 0.00 37.83 37.87 1n4i s LYS 16 CO 0.00 -0.11 1.17 0.00 -0.92 0.00 0.00 175.35 175.49 1n4i n GLU 18 N -0.06 2.20 -3.12 0.00 0.00 -1.25 -2.66 120.64 115.76 1n4i n GLU 18 Ca 0.10 0.80 -0.00 0.00 0.00 0.00 0.00 57.16 58.06 1n4i n GLU 18 Cb 0.99 -2.60 -0.00 0.00 0.00 0.00 0.00 31.44 29.84 1n4i n GLU 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1n4i n LYS 19 N 4.37 -0.75 -1.32 5.31 4.76 -1.25 -4.36 118.16 124.92 1n4i n LYS 19 Ca 0.18 1.07 -0.01 0.00 -2.87 0.00 0.00 58.31 56.69 1n4i n LYS 19 Cb 0.30 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1n4i n LYS 19 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1n4i n SER 20 N 1.20 -0.24 -2.84 4.39 7.64 -0.44 -2.92 113.62 120.42 1n4i n SER 20 Ca -0.00 -1.17 -0.10 0.00 1.01 0.00 0.00 58.87 58.61 1n4i n SER 20 Cb 0.42 0.41 0.02 0.00 -1.01 0.00 0.00 64.21 64.05 1n4i n SER 20 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1n4i n THR 21 N -0.06 -0.15 0.00 0.44 -1.04 -1.21 -3.98 114.28 108.29 1n4i n THR 21 Ca -0.01 -1.79 0.00 0.00 -2.04 0.00 0.00 64.05 60.21 1n4i n THR 21 Cb 0.06 0.80 0.00 0.00 -1.82 0.00 0.00 70.33 69.38 1n4i n THR 21 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1n4i n LEU 22 N 1.97 0.00 0.00 -4.42 4.77 -1.06 -3.58 117.00 114.68 1n4i n LEU 22 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1n4i n LEU 22 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1n4i n LEU 22 CO 0.05 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.52 1n4i n THR 23 N 0.00 0.00 -2.32 -5.08 -1.04 -0.52 -3.81 114.28 101.51 1n4i n THR 23 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1n4i n THR 23 Cb 0.00 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.58 1n4i n THR 23 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1n4i n ASN 24 N 0.00 2.07 -3.61 8.00 3.02 0.42 -2.53 115.26 122.64 1n4i n ASN 24 Ca 0.00 -2.74 0.00 0.00 -0.03 0.00 0.00 54.58 51.81 1n4i n ASN 24 Cb 0.00 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 -0.59 -3.27 -0.42 0.00 4.01 -1.15 -3.13 117.16 112.62 1n4i n TYR 26 Ca 0.00 0.69 0.04 0.00 -0.16 0.00 0.00 57.90 58.48 1n4i n TYR 26 Cb 0.00 1.98 -0.01 0.00 -0.31 0.00 0.00 39.34 40.99 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 -2.90 0.00 0.00 -0.72 0.31 -1.26 0.22 118.33 113.98 1n4i n VAL 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1n4i n VAL 27 Cb 0.00 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 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 -4.39 0.00 -2.85 4.52 2.03 -1.26 -3.96 116.55 110.64 1n4i n ASP 28 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1n4i n ASP 28 Cb 0.14 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.59 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 -0.34 1.06 -4.22 -0.67 5.02 -1.26 -4.06 118.16 113.69 1n4i n LYS 29 Ca 0.00 -2.58 -0.13 0.00 -2.02 0.00 0.00 58.31 53.58 1n4i n LYS 29 Cb 0.00 -1.08 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.93 1.11 -0.28 4.39 0.01 -1.26 -0.65 113.70 115.09 1n4i s SER 30 Ca 0.28 -1.16 0.03 0.00 1.31 0.00 0.00 55.95 56.41 1n4i s SER 30 Cb 0.36 0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.79 1n4i s SER 30 CO -0.05 -0.58 -0.07 -0.70 0.41 0.00 0.00 173.24 172.25 1n4i s GLU 31 N -3.92 2.00 0.26 12.44 2.12 -0.93 -1.88 118.70 128.78 1n4i s GLU 31 Ca 0.23 -1.44 0.09 0.00 0.36 0.00 0.00 54.97 54.21 1n4i s GLU 31 Cb 0.06 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1n4i s GLU 31 CO 0.03 -0.66 0.07 0.08 -0.54 0.00 0.00 175.26 174.24 1n4i s VAL 32 N 1.09 3.82 -0.36 3.70 1.01 -0.93 -1.53 120.40 127.19 1n4i s VAL 32 Ca -0.04 -1.72 0.12 0.00 0.00 0.00 0.00 61.98 60.35 1n4i s VAL 32 Cb -0.20 -3.06 0.41 0.00 0.00 0.00 0.00 36.38 33.54 1n4i s VAL 32 CO -0.06 -0.36 1.40 -1.22 0.00 0.00 0.00 175.10 174.86 1n4i n TYR 33 N -1.01 -1.80 0.00 5.22 4.01 -0.85 -3.80 117.16 118.93 1n4i n TYR 33 Ca -0.07 -1.90 0.00 0.00 -0.16 0.00 0.00 57.90 55.77 1n4i n TYR 33 Cb 0.59 1.34 0.00 0.00 -0.31 0.00 0.00 39.34 40.95 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 -1.01 0.11 3.87 2.72 0.00 0.31 -3.43 105.19 107.76 1n4i n GLY 34 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.13 5.16 -0.81 2.61 2.01 -0.85 -2.43 115.64 121.20 1n4i s THR 35 Ca 0.00 0.41 -0.03 0.00 0.31 0.00 0.00 61.69 62.38 1n4i s THR 35 Cb 0.00 -3.62 0.19 0.00 0.01 0.00 0.00 72.50 69.08 1n4i s THR 35 CO 0.00 0.36 2.35 0.41 -0.69 0.00 0.00 174.62 177.06 1n4i n THR 36 N 1.13 4.18 -1.47 -0.82 -1.04 -1.21 -2.57 114.28 112.48 1n4i n THR 36 Ca -0.10 -4.06 -0.15 0.00 -2.04 0.00 0.00 64.05 57.70 1n4i n THR 36 Cb 0.53 -1.58 -0.13 0.00 -1.82 0.00 0.00 70.33 67.33 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 7.15 3.22 0.00 0.00 5.66 -1.26 0.16 114.28 129.20 1n4i n THR 38 Ca 0.48 -2.85 0.00 0.00 -3.05 0.00 0.00 64.05 58.64 1n4i n THR 38 Cb 0.34 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 68.25 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 -0.98 0.59 3.20 1.09 0.00 -1.22 -4.72 105.19 103.16 1n4i n GLY 39 Ca 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.47 1n4i n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n4i s SER 40 N -0.40 0.21 0.02 1.61 0.01 -1.22 -4.35 113.70 109.57 1n4i s SER 40 Ca 0.00 -1.23 -0.09 0.00 1.31 0.00 0.00 55.95 55.94 1n4i s SER 40 Cb 0.00 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1n4i s SER 40 CO 0.00 -0.80 0.18 0.00 0.41 0.00 0.00 173.24 173.03 1n4i s ARG 41 N -4.08 0.60 0.00 12.44 1.70 -1.26 -2.93 118.95 125.41 1n4i s ARG 41 Ca 0.29 -0.48 0.00 0.00 -0.47 0.00 0.00 55.73 55.07 1n4i s ARG 41 Cb 0.07 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1n4i s ARG 41 CO 0.06 -0.16 0.00 1.19 -1.08 0.00 0.00 175.30 175.31 1n4i n PHE 42 N 1.09 -0.38 -2.66 5.89 3.72 -1.26 -3.99 117.46 119.86 1n4i n PHE 42 Ca -0.21 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.16 1n4i n PHE 42 Cb 0.57 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.14 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 -1.02 -1.14 0.00 4.37 2.03 -1.26 -4.24 116.55 115.29 1n4i n ASP 43 Ca 0.00 -1.68 0.00 0.00 0.52 0.00 0.00 54.79 53.63 1n4i n ASP 43 Cb 0.00 1.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.44 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 -0.16 0.50 0.00 0.27 0.00 0.18 -3.17 105.19 102.81 1n4i n GLY 44 Ca -0.20 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.96 -1.57 118.33 114.94 1n4i n VAL 45 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 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 0.46 -1.00 3.34 -1.04 0.13 -2.19 114.28 113.98 1n4i n THR 46 Ca 0.00 -2.40 -0.29 0.00 -2.04 0.00 0.00 64.05 59.32 1n4i n THR 46 Cb 0.00 0.80 0.22 0.00 -1.82 0.00 0.00 70.33 69.53 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 -1.51 1.79 0.00 12.58 2.07 -0.58 -3.58 121.20 131.97 1n4i s ILE 47 Ca 0.25 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.49 1n4i s ILE 47 Cb 0.42 -2.41 0.00 0.00 0.13 0.00 0.00 42.46 40.60 1n4i s ILE 47 CO -0.03 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.35 1n4i n THR 48 N -4.62 0.00 -3.08 4.00 -2.24 -1.11 -3.53 114.28 103.71 1n4i n THR 48 Ca 0.08 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.47 1n4i n THR 48 Cb 0.58 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 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 4.77 -4.61 4.28 -1.04 -1.22 0.11 114.28 116.57 1n4i n THR 49 Ca 0.00 -5.81 -0.28 0.00 -2.04 0.00 0.00 64.05 55.92 1n4i n THR 49 Cb 0.00 -2.07 -0.14 0.00 -1.82 0.00 0.00 70.33 66.31 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 -1.95 3.07 -0.27 8.00 0.01 -1.02 -3.05 113.70 118.50 1n4i s SER 50 Ca 0.33 -0.65 -0.11 0.00 1.31 0.00 0.00 55.95 56.82 1n4i s SER 50 Cb 0.07 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 1n4i s SER 50 CO 0.08 0.19 0.19 -0.89 0.41 0.00 0.00 173.24 173.23 1n4i s THR 51 N -0.94 5.32 -0.01 1.44 2.01 0.17 -3.31 115.64 120.32 1n4i s THR 51 Ca 0.12 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1n4i s THR 51 Cb -0.10 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.89 1n4i s THR 51 CO 0.04 0.27 0.01 -0.44 -0.69 0.00 0.00 174.62 173.81 1n4i s SER 52 N 1.53 0.05 -0.52 3.53 0.01 -1.24 0.26 113.70 117.32 1n4i s SER 52 Ca 0.08 0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.39 1n4i s SER 52 Cb -0.15 -0.03 0.13 0.00 0.21 0.00 0.00 66.02 66.18 1n4i s SER 52 CO 0.09 -0.04 0.27 -0.89 0.41 0.00 0.00 173.24 173.08 1n4i s THR 53 N 0.37 2.41 0.00 1.44 2.01 -0.98 -4.54 115.64 116.35 1n4i s THR 53 Ca -0.03 -3.27 0.00 0.00 0.31 0.00 0.00 61.69 58.70 1n4i s THR 53 Cb -0.05 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.79 1n4i s THR 53 CO -0.01 -0.83 0.00 0.61 -0.69 0.00 0.00 174.62 173.70 1n4i n GLY 54 N 3.09 -0.22 3.13 4.40 0.00 -1.26 0.82 105.19 115.16 1n4i n GLY 54 Ca 0.07 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.21 -0.11 -0.73 1.61 1.04 -1.26 0.38 113.70 113.41 1n4i s SER 55 Ca 0.00 0.73 -0.20 0.00 0.48 0.00 0.00 55.95 56.96 1n4i s SER 55 Cb 0.00 0.79 0.10 0.00 0.10 0.00 0.00 66.02 67.01 1n4i s SER 55 CO 0.00 -0.21 0.95 -0.60 0.98 0.00 0.00 173.24 174.36 1n4i s ARG 56 N 1.97 3.26 -0.04 4.02 3.52 0.25 -4.26 118.95 127.67 1n4i s ARG 56 Ca -0.04 -1.27 0.03 0.00 -0.13 0.00 0.00 55.73 54.32 1n4i s ARG 56 Cb -0.11 -4.45 0.16 0.00 -1.56 0.00 0.00 34.95 28.99 1n4i s ARG 56 CO -0.10 -1.73 0.86 -0.89 -0.81 0.00 0.00 175.30 172.63 1n4i n ILE 57 N 5.65 0.47 -1.30 4.11 5.41 -1.25 -3.68 119.36 128.78 1n4i n ILE 57 Ca 0.04 -0.27 -0.38 0.00 1.00 0.00 0.00 62.75 63.14 1n4i n ILE 57 Cb 0.46 -0.29 0.03 0.00 -0.71 0.00 0.00 39.64 39.12 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 0.08 -2.79 0.00 4.38 7.64 -1.26 -4.60 113.62 117.06 1n4i n SER 58 Ca 0.06 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1n4i n SER 58 Cb 0.36 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 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 2.27 2.61 0.00 0.23 0.00 -1.19 -4.77 105.19 104.34 1n4i n GLY 59 Ca 0.09 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.87 0.65 0.00 1.61 -0.04 -1.25 -3.64 135.00 131.46 1n4i n PRO 60 Ca 0.00 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1n4i n PRO 60 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.54 0.00 3.67 0.55 0.00 -0.61 -4.90 105.19 104.44 1n4i n GLY 61 Ca 0.16 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.66 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 2.74 4.00 0.00 0.00 2.20 -1.25 0.22 119.74 127.65 1n4i s LYS 63 Ca 0.92 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 56.23 1n4i s LYS 63 Cb -0.91 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.09 1n4i s LYS 63 CO 0.55 0.20 -0.08 0.42 -0.36 0.00 0.00 175.35 176.08 1n4i s ILE 64 N 0.60 0.65 -0.18 5.43 -1.09 -1.23 -4.80 121.20 120.58 1n4i s ILE 64 Ca 0.05 -0.45 -0.08 0.00 -2.23 0.00 0.00 60.65 57.93 1n4i s ILE 64 Cb -0.13 -0.57 0.07 0.00 -1.58 0.00 0.00 42.46 40.26 1n4i s ILE 64 CO 0.01 0.11 0.41 -0.94 -1.23 0.00 0.00 174.94 173.30 1n4i s SER 65 N -0.38 -0.40 -0.73 3.58 1.04 -1.26 -2.73 113.70 112.81 1n4i s SER 65 Ca 0.02 0.92 -0.06 0.00 0.48 0.00 0.00 55.95 57.31 1n4i s SER 65 Cb -0.04 0.96 0.01 0.00 0.10 0.00 0.00 66.02 67.05 1n4i s SER 65 CO -0.00 -0.21 0.58 0.41 0.98 0.00 0.00 173.24 175.00 1n4i n THR 66 N 4.67 -3.15 -4.22 2.02 -1.04 -1.17 -3.68 114.28 107.71 1n4i n THR 66 Ca -0.18 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.59 1n4i n THR 66 Cb 0.53 -2.82 -0.17 0.00 -1.82 0.00 0.00 70.33 66.06 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 1.16 5.12 0.25 0.00 1.09 -1.25 -0.65 121.20 126.91 1n4i s ILE 68 Ca -0.06 -2.07 -0.00 0.00 -1.10 0.00 0.00 60.65 57.42 1n4i s ILE 68 Cb -0.14 -4.68 -0.04 0.00 -1.06 0.00 0.00 42.46 36.54 1n4i s ILE 68 CO -0.02 -1.35 0.44 -0.63 -0.10 0.00 0.00 174.94 173.28 1n4i s ILE 69 N 1.54 5.17 -0.36 2.92 1.01 0.72 -0.47 121.20 131.73 1n4i s ILE 69 Ca 0.29 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.55 1n4i s ILE 69 Cb -0.07 -3.78 0.16 0.00 0.01 0.00 0.00 42.46 38.79 1n4i s ILE 69 CO -0.08 -0.30 0.45 -0.89 0.00 0.00 0.00 174.94 174.12 1n4i s THR 70 N -2.01 -0.59 0.00 2.92 2.01 0.62 -2.32 115.64 116.27 1n4i s THR 70 Ca 0.39 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1n4i s THR 70 Cb -0.10 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.80 1n4i s THR 70 CO 0.31 -0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 1n4i n GLY 71 N 4.61 1.21 2.00 4.40 0.00 0.24 -3.87 105.19 113.79 1n4i n GLY 71 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.85 0.42 3.01 -0.02 0.00 0.16 -4.38 105.19 103.53 1n4i n GLY 72 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 1.55 0.41 1.61 -7.23 -1.25 -4.21 120.40 109.28 1n4i s VAL 73 Ca 0.00 -0.62 -0.24 0.00 -1.81 0.00 0.00 61.98 59.31 1n4i s VAL 73 Cb 0.00 -1.46 -0.09 0.00 0.56 0.00 0.00 36.38 35.40 1n4i s VAL 73 CO 0.00 0.45 1.08 -2.16 -0.31 0.00 0.00 175.10 174.17 1n4i s PRO 74 N 1.49 4.08 0.54 4.82 0.04 -1.26 -0.28 135.00 144.43 1n4i s PRO 74 Ca 0.05 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 1n4i s PRO 74 Cb -0.13 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 31.89 1n4i s PRO 74 CO -0.10 -0.23 0.79 0.00 0.04 0.00 0.00 177.00 177.50 1n4i s ALA 75 N -1.61 3.62 -0.62 8.56 0.00 0.38 -4.90 121.76 127.19 1n4i s ALA 75 Ca 0.59 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.47 1n4i s ALA 75 Cb -0.24 -2.29 -0.09 0.00 0.00 0.00 0.00 23.12 20.50 1n4i s ALA 75 CO 0.30 -0.68 2.26 -0.35 0.00 0.00 0.00 175.76 177.29 1n4i n PRO 76 N -2.37 1.85 -2.93 0.00 -0.04 -1.26 -4.75 135.00 125.51 1n4i n PRO 76 Ca 0.05 -1.18 -0.41 0.00 -0.04 0.00 0.00 63.50 61.92 1n4i n PRO 76 Cb 0.58 -2.23 -0.04 0.00 -0.04 0.00 0.00 33.50 31.77 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 2.97 6.99 0.00 3.54 0.15 -1.26 -4.92 113.70 121.17 1n4i s SER 77 Ca 0.41 1.20 0.28 0.00 0.70 0.00 0.00 55.95 58.55 1n4i s SER 77 Cb 0.14 -2.45 1.25 0.00 -1.71 0.00 0.00 66.02 63.25 1n4i s SER 77 CO -0.02 -0.29 1.92 0.00 1.20 0.00 0.00 173.24 176.04 1n4i n ALA 78 N 4.67 2.31 0.75 5.45 0.00 -1.26 -3.06 120.51 129.37 1n4i n ALA 78 Ca 0.03 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.47 1n4i n ALA 78 Cb 0.50 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.46 3.96 -1.71 0.00 0.00 -1.26 -4.95 120.51 115.09 1n4i n ALA 79 Ca 0.08 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.73 1n4i n ALA 79 Cb 0.31 -0.87 0.10 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.48 0.68 -4.09 0.00 0.00 -1.24 -5.00 118.16 105.04 1n4i n LYS 81 Ca 0.07 0.06 -0.40 0.00 -0.00 0.00 0.00 58.31 58.04 1n4i n LYS 81 Cb 0.59 -1.56 -0.01 0.00 -0.00 0.00 0.00 35.03 34.06 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 -2.90 -2.04 0.00 0.58 2.08 -1.26 -4.90 119.36 110.93 1n4i n ILE 82 Ca -0.34 -0.52 0.00 0.00 0.56 0.00 0.00 62.75 62.46 1n4i n ILE 82 Cb 1.11 -1.76 0.00 0.00 -0.75 0.00 0.00 39.64 38.24 1n4i n ILE 82 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1n4i n SER 83 N -2.01 0.00 -4.31 4.38 7.64 -1.26 -4.97 113.62 113.09 1n4i n SER 83 Ca -0.14 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.28 1n4i n SER 83 Cb 0.54 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.00 2.68 0.07 0.23 0.00 -1.26 -4.98 107.32 104.05 1n4i s GLY 84 Ca 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 44.72 41.32 1n4i s GLY 84 CO 0.00 1.25 0.27 0.00 0.00 0.00 0.00 173.10 174.62 1n4i s THR 86 N -2.51 0.00 -0.03 0.00 -1.32 -1.26 -5.09 115.64 105.42 1n4i s THR 86 Ca 0.06 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.49 1n4i s THR 86 Cb -0.01 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.95 1n4i s THR 86 CO 0.02 0.00 -0.10 0.49 -2.21 0.00 0.00 174.62 172.82 1n4i n PHE 87 N 0.11 0.00 -1.05 9.09 3.72 -1.24 -3.81 117.46 124.27 1n4i n PHE 87 Ca 0.03 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.41 1n4i n PHE 87 Cb 0.57 -0.22 -0.01 0.00 -0.94 0.00 0.00 39.48 38.89 1n4i n PHE 87 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1n4i n SER 88 N -3.55 -5.20 -2.95 4.37 7.64 -1.26 0.84 113.62 113.50 1n4i n SER 88 Ca -0.10 0.04 -0.01 0.00 1.01 0.00 0.00 58.87 59.81 1n4i n SER 88 Cb 0.39 -2.85 -0.01 0.00 -1.01 0.00 0.00 64.21 60.73 1n4i n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4i n ALA 89 N 1.03 -2.20 0.00 -0.43 0.00 -1.26 -4.62 120.51 113.03 1n4i n ALA 89 Ca -0.02 0.61 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1n4i n ALA 89 Cb 0.39 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1n4i n ALA 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77