#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ig4 n ALA 2 N 0.00 0.94 0.00 -5.12 0.00 -1.26 -4.97 120.51 110.10 1ig4 n ALA 2 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 53.44 52.48 1ig4 n ALA 2 Cb 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 1ig4 n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ig4 n GLU 3 N -0.86 0.63 -2.40 0.00 4.71 -1.26 -5.06 120.64 116.39 1ig4 n GLU 3 Ca -0.12 0.23 -0.01 0.00 -0.01 0.00 0.00 57.16 57.25 1ig4 n GLU 3 Cb 0.79 -1.78 -0.01 0.00 -1.01 0.00 0.00 31.44 29.44 1ig4 n GLU 3 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ig4 n ASP 4 N -2.93 -5.94 -4.73 1.62 8.00 -1.26 -4.37 116.55 106.95 1ig4 n ASP 4 Ca -0.14 1.57 -0.41 0.00 0.71 0.00 0.00 54.79 56.53 1ig4 n ASP 4 Cb 0.94 -4.42 -0.04 0.00 -0.02 0.00 0.00 41.12 37.57 1ig4 n ASP 4 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1ig4 s TRP 5 N -0.48 3.80 0.28 1.24 0.52 -1.26 -4.59 118.94 118.46 1ig4 s TRP 5 Ca -0.06 1.79 0.10 0.00 0.02 0.00 0.00 56.10 57.95 1ig4 s TRP 5 Cb 0.00 -3.07 -0.05 0.00 -1.15 0.00 0.00 33.47 29.21 1ig4 s TRP 5 CO 0.17 0.15 -0.05 -0.51 0.02 0.00 0.00 176.95 176.72 1ig4 s LEU 6 N -0.11 2.99 1.34 2.99 1.43 0.14 -4.92 118.68 122.53 1ig4 s LEU 6 Ca 0.47 -0.81 -0.22 0.00 -1.03 0.00 0.00 54.13 52.53 1ig4 s LEU 6 Cb -0.24 -1.48 0.34 0.00 0.03 0.00 0.00 46.19 44.83 1ig4 s LEU 6 CO 0.30 -0.03 1.03 -1.81 0.23 0.00 0.00 176.35 176.07 1ig4 s ASP 7 N -3.64 -0.25 -0.41 2.29 1.11 -1.26 0.61 116.67 115.13 1ig4 s ASP 7 Ca 0.32 0.62 0.06 0.00 0.18 0.00 0.00 52.55 53.72 1ig4 s ASP 7 Cb -0.05 -0.83 0.17 0.00 1.07 0.00 0.00 42.92 43.28 1ig4 s ASP 7 CO 0.18 -4.84 0.51 0.00 1.18 0.00 0.00 175.17 172.21 1ig4 n PRO 9 N 4.06 0.31 0.31 0.00 -0.04 -1.26 -3.55 135.00 134.84 1ig4 n PRO 9 Ca 0.13 0.09 0.19 0.00 -0.04 0.00 0.00 63.50 63.87 1ig4 n PRO 9 Cb 0.51 -1.50 1.00 0.00 -0.04 0.00 0.00 33.50 33.47 1ig4 n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ig4 h ALA 10 N 2.97 1.11 0.00 0.55 0.00 -1.86 -3.38 119.26 118.65 1ig4 h ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ig4 h ALA 10 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ig4 h ALA 10 CO 0.00 -0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1ig4 n LEU 11 N -2.89 0.12 0.00 0.00 4.77 -1.23 -4.39 117.00 113.39 1ig4 n LEU 11 Ca -0.02 0.33 -0.04 0.00 -0.03 0.00 0.00 56.01 56.25 1ig4 n LEU 11 Cb 0.17 0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1ig4 n LEU 11 CO 0.16 -0.73 0.29 0.61 -1.33 0.00 0.00 177.39 176.38 1ig4 n GLY 12 N 2.02 1.42 0.87 -0.72 0.00 -1.25 -5.01 105.19 102.53 1ig4 n GLY 12 Ca 0.00 -1.12 -0.00 0.00 0.00 0.00 0.00 46.02 44.89 1ig4 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ig4 n PRO 13 N -0.28 1.47 -0.02 1.61 -0.04 -1.26 -3.35 135.00 133.13 1ig4 n PRO 13 Ca -0.04 -0.47 0.01 0.00 -0.04 0.00 0.00 63.50 62.95 1ig4 n PRO 13 Cb 0.30 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.23 1ig4 n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ig4 n GLY 14 N 0.15 -0.33 3.82 0.55 0.00 -1.26 -5.02 105.19 103.09 1ig4 n GLY 14 Ca 0.06 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1ig4 n GLY 14 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ig4 s TRP 15 N -2.36 3.14 0.01 1.61 0.52 -1.21 -3.85 118.94 116.80 1ig4 s TRP 15 Ca -0.03 1.48 0.01 0.00 0.02 0.00 0.00 56.10 57.59 1ig4 s TRP 15 Cb 0.04 -2.93 -0.01 0.00 -1.15 0.00 0.00 33.47 29.41 1ig4 s TRP 15 CO 0.29 -0.92 -0.04 0.21 0.02 0.00 0.00 176.95 176.51 1ig4 s LYS 16 N -4.19 0.32 -0.06 4.98 2.47 -1.07 -2.96 119.74 119.23 1ig4 s LYS 16 Ca 0.62 -0.33 0.06 0.00 -1.56 0.00 0.00 55.97 54.76 1ig4 s LYS 16 Cb -0.14 -0.19 -0.01 0.00 -1.46 0.00 0.00 37.83 36.03 1ig4 s LYS 16 CO 0.38 0.04 -0.24 0.50 0.16 0.00 0.00 175.35 176.19 1ig4 s ARG 17 N -0.62 2.47 -0.04 4.03 3.52 0.20 -1.07 118.95 127.44 1ig4 s ARG 17 Ca -0.04 -0.87 0.03 0.00 -0.13 0.00 0.00 55.73 54.71 1ig4 s ARG 17 Cb -0.04 -2.09 0.01 0.00 -1.56 0.00 0.00 34.95 31.26 1ig4 s ARG 17 CO -0.00 0.36 -0.11 0.50 -0.81 0.00 0.00 175.30 175.24 1ig4 s ARG 18 N -0.14 1.27 -0.01 5.12 3.52 0.18 0.26 118.95 129.16 1ig4 s ARG 18 Ca -0.04 -0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 1ig4 s ARG 18 Cb -0.14 -1.13 -0.04 0.00 -1.56 0.00 0.00 34.95 32.09 1ig4 s ARG 18 CO 0.04 0.10 0.20 -1.21 -0.81 0.00 0.00 175.30 173.61 1ig4 s GLU 19 N 0.33 3.46 -0.25 5.12 2.02 -1.26 -0.31 118.70 127.81 1ig4 s GLU 19 Ca -0.07 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.64 1ig4 s GLU 19 Cb -0.11 -3.09 0.08 0.00 0.10 0.00 0.00 34.13 31.10 1ig4 s GLU 19 CO 0.01 0.67 0.03 0.08 0.02 0.00 0.00 175.26 176.08 1ig4 s VAL 20 N -1.32 0.99 -0.18 2.63 1.01 0.16 -4.84 120.40 118.84 1ig4 s VAL 20 Ca 0.27 -1.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1ig4 s VAL 20 Cb -0.13 -1.53 -0.16 0.00 0.00 0.00 0.00 36.38 34.57 1ig4 s VAL 20 CO 0.18 -0.36 3.33 0.33 0.00 0.00 0.00 175.10 178.58 1ig4 n PHE 21 N 4.85 0.57 -0.66 5.22 7.35 -1.26 0.43 117.46 133.96 1ig4 n PHE 21 Ca -0.07 -1.67 0.09 0.00 -0.76 0.00 0.00 57.45 55.04 1ig4 n PHE 21 Cb 0.44 -1.54 -0.02 0.00 0.35 0.00 0.00 39.48 38.71 1ig4 n PHE 21 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1ig4 n ARG 22 N 1.97 -1.27 0.00 -4.13 5.12 -0.27 -4.24 116.66 113.85 1ig4 n ARG 22 Ca 0.46 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 57.21 1ig4 n ARG 22 Cb 0.79 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 1ig4 n ARG 22 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1ig4 n LYS 23 N -2.13 0.00 -3.14 5.56 0.00 -1.26 -4.79 118.16 112.40 1ig4 n LYS 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1ig4 n LYS 23 Cb 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 35.03 34.99 1ig4 n LYS 23 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ig4 n SER 24 N -1.71 0.00 0.00 3.14 3.41 -1.26 -4.91 113.62 112.29 1ig4 n SER 24 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ig4 n SER 24 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ig4 n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ig4 n GLY 25 N 0.00 0.86 0.40 5.00 0.00 -1.26 -3.77 105.19 106.41 1ig4 n GLY 25 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1ig4 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ig4 n ALA 26 N 1.26 1.14 1.51 4.61 0.00 -1.26 -4.83 120.51 122.94 1ig4 n ALA 26 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1ig4 n ALA 26 Cb 0.00 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.19 1ig4 n ALA 26 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ig4 n THR 27 N -1.70 0.06 -1.48 0.00 -2.24 -1.26 -4.90 114.28 102.76 1ig4 n THR 27 Ca 0.00 0.01 -0.47 0.00 -2.27 0.00 0.00 64.05 61.32 1ig4 n THR 27 Cb 0.00 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 67.60 1ig4 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ig4 n GLY 29 N 1.71 1.41 3.90 0.00 0.00 -1.26 -4.98 105.19 105.97 1ig4 n GLY 29 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1ig4 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ig4 s ARG 30 N -0.83 3.63 -0.15 1.61 0.52 -1.01 -4.88 118.95 117.84 1ig4 s ARG 30 Ca 0.00 0.18 -0.02 0.00 -0.52 0.00 0.00 55.73 55.37 1ig4 s ARG 30 Cb 0.00 -2.48 -0.02 0.00 0.52 0.00 0.00 34.95 32.97 1ig4 s ARG 30 CO 0.00 -0.01 -0.09 -1.54 0.02 0.00 0.00 175.30 173.68 1ig4 s SER 31 N -3.57 4.31 -0.13 0.23 1.04 -1.26 -1.11 113.70 113.22 1ig4 s SER 31 Ca 0.47 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.66 1ig4 s SER 31 Cb -0.10 -1.68 0.01 0.00 0.10 0.00 0.00 66.02 64.34 1ig4 s SER 31 CO 0.36 0.15 -0.22 -1.81 0.98 0.00 0.00 173.24 172.70 1ig4 s ASP 32 N 0.45 3.11 -0.38 7.02 1.11 0.17 -4.90 116.67 123.24 1ig4 s ASP 32 Ca -0.07 -0.59 -0.15 0.00 0.18 0.00 0.00 52.55 51.92 1ig4 s ASP 32 Cb -0.15 -1.44 0.01 0.00 1.07 0.00 0.00 42.92 42.41 1ig4 s ASP 32 CO 0.04 0.10 0.30 -0.89 1.18 0.00 0.00 175.17 175.90 1ig4 s THR 33 N 0.71 5.25 0.02 -1.27 2.01 -1.26 0.36 115.64 121.46 1ig4 s THR 33 Ca -0.10 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1ig4 s THR 33 Cb -0.16 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1ig4 s THR 33 CO 0.01 -0.21 0.01 -0.31 -0.69 0.00 0.00 174.62 173.42 1ig4 s TYR 34 N 1.76 3.06 0.03 4.92 2.02 0.57 -4.72 117.35 124.99 1ig4 s TYR 34 Ca 0.06 0.06 -0.00 0.00 -0.37 0.00 0.00 57.07 56.82 1ig4 s TYR 34 Cb -0.18 -1.64 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 1ig4 s TYR 34 CO 0.11 0.47 -0.03 1.52 -1.57 0.00 0.00 175.55 176.05 1ig4 s TYR 35 N -1.15 0.30 0.13 2.71 1.13 -0.90 0.52 117.35 120.09 1ig4 s TYR 35 Ca 0.22 -0.62 0.03 0.00 -1.41 0.00 0.00 57.07 55.29 1ig4 s TYR 35 Cb -0.12 -0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 40.48 1ig4 s TYR 35 CO 0.13 -0.22 0.16 -1.14 -2.51 0.00 0.00 175.55 171.97 1ig4 s GLN 36 N -1.89 3.07 0.75 -3.49 0.74 -0.23 -1.45 119.66 117.16 1ig4 s GLN 36 Ca -0.12 -0.72 -0.11 0.00 0.05 0.00 0.00 55.36 54.46 1ig4 s GLN 36 Cb -0.07 -2.78 0.17 0.00 1.10 0.00 0.00 33.01 31.43 1ig4 s GLN 36 CO -0.03 0.52 0.38 0.43 -0.55 0.00 0.00 175.29 176.05 1ig4 n SER 37 N -0.13 -2.75 0.15 6.67 7.64 0.24 -2.61 113.62 122.82 1ig4 n SER 37 Ca -0.08 -0.39 0.04 0.00 1.01 0.00 0.00 58.87 59.45 1ig4 n SER 37 Cb 0.53 -0.54 0.04 0.00 -1.01 0.00 0.00 64.21 63.23 1ig4 n SER 37 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ig4 h PRO 38 N 0.00 0.00 0.00 1.43 0.13 -1.89 -3.28 132.00 128.40 1ig4 h PRO 38 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1ig4 h PRO 38 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1ig4 h PRO 38 CO 0.10 0.43 0.00 -2.37 -0.23 0.00 0.00 178.00 175.93 1ig4 n THR 39 N -3.19 0.00 0.00 1.56 5.66 -1.26 -4.19 114.28 112.86 1ig4 n THR 39 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1ig4 n THR 39 Cb 0.71 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 70.21 1ig4 n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ig4 n GLY 40 N 0.00 -1.24 0.00 1.09 0.00 -1.26 -5.17 105.19 98.60 1ig4 n GLY 40 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1ig4 n GLY 40 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ig4 n ASP 41 N 0.00 0.00 -4.65 1.61 2.03 -1.26 -4.90 116.55 109.38 1ig4 n ASP 41 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1ig4 n ASP 41 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1ig4 n ASP 41 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1ig4 s ARG 42 N 0.00 4.22 0.18 -0.67 6.06 -1.26 0.79 118.95 128.26 1ig4 s ARG 42 Ca 0.00 1.18 0.10 0.00 -2.50 0.00 0.00 55.73 54.51 1ig4 s ARG 42 Cb 0.00 -3.65 -0.04 0.00 0.06 0.00 0.00 34.95 31.32 1ig4 s ARG 42 CO 0.00 -0.60 -0.22 0.42 -2.50 0.00 0.00 175.30 172.40 1ig4 s ILE 43 N 3.09 2.10 0.00 4.11 -1.09 -0.53 -4.89 121.20 123.99 1ig4 s ILE 43 Ca 0.41 -1.95 0.00 0.00 -2.23 0.00 0.00 60.65 56.87 1ig4 s ILE 43 Cb -0.15 -1.98 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1ig4 s ILE 43 CO 0.07 -0.19 0.00 0.54 -1.23 0.00 0.00 174.94 174.13 1ig4 n ARG 44 N 0.33 3.39 -0.31 2.79 1.74 -1.26 -2.11 116.66 121.24 1ig4 n ARG 44 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1ig4 n ARG 44 Cb 0.56 -0.42 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 1ig4 n ARG 44 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1ig4 n SER 45 N -0.33 0.00 0.11 0.55 3.41 -1.26 -4.62 113.62 111.47 1ig4 n SER 45 Ca 0.00 -0.18 -0.23 0.00 -0.26 0.00 0.00 58.87 58.20 1ig4 n SER 45 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1ig4 n SER 45 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1ig4 h LYS 46 N 0.00 0.54 0.94 4.33 3.64 -1.93 -2.93 116.57 121.16 1ig4 h LYS 46 Ca 0.00 -0.81 -0.05 0.00 -1.27 0.00 0.00 60.65 58.52 1ig4 h LYS 46 Cb 0.00 0.29 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1ig4 h LYS 46 CO 0.00 1.38 -0.45 0.28 -2.27 0.00 0.00 179.45 178.38 1ig4 h VAL 47 N 0.11 0.04 -1.04 2.00 2.07 -1.97 0.83 116.25 118.28 1ig4 h VAL 47 Ca -0.21 -0.04 0.27 0.00 0.82 0.00 0.00 66.70 67.54 1ig4 h VAL 47 Cb 1.96 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 31.66 1ig4 h VAL 47 CO 0.24 0.00 0.66 -0.08 0.02 0.00 0.00 177.57 178.41 1ig4 h GLU 48 N -1.31 0.42 -0.07 1.57 4.57 -1.97 0.40 114.58 118.19 1ig4 h GLU 48 Ca -0.13 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 1ig4 h GLU 48 Cb 0.97 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1ig4 h GLU 48 CO 0.21 0.28 -0.11 1.25 -1.18 0.00 0.00 179.01 179.45 1ig4 h LEU 49 N 0.43 0.22 -2.07 1.64 5.85 -1.23 -2.76 115.31 117.39 1ig4 h LEU 49 Ca 0.62 -0.55 0.10 0.00 0.84 0.00 0.00 57.88 58.88 1ig4 h LEU 49 Cb 1.48 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 1ig4 h LEU 49 CO -0.35 0.72 0.27 0.74 -0.34 0.00 0.00 178.44 179.49 1ig4 h THR 50 N -0.28 0.67 0.45 1.05 2.02 0.45 -2.02 112.91 115.26 1ig4 h THR 50 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1ig4 h THR 50 Cb 0.68 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1ig4 h THR 50 CO 0.03 0.00 -0.22 0.03 0.37 0.00 0.00 175.52 175.73 1ig4 h ARG 51 N 0.00 -0.59 -0.29 6.66 3.08 -0.19 0.10 114.38 123.15 1ig4 h ARG 51 Ca 0.16 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.33 1ig4 h ARG 51 Cb 0.70 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1ig4 h ARG 51 CO -0.00 -0.29 0.35 -0.92 -1.07 0.00 0.00 179.97 178.03 1ig4 h TYR 52 N -0.84 0.00 0.00 3.04 3.20 -1.25 0.39 116.97 121.51 1ig4 h TYR 52 Ca -0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1ig4 h TYR 52 Cb 0.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1ig4 h TYR 52 CO 0.00 0.00 -0.82 -0.07 -1.64 0.00 0.00 178.16 175.63 1ig4 h LEU 53 N 0.00 0.00 0.00 2.82 3.38 -1.10 -3.50 115.31 116.91 1ig4 h LEU 53 Ca 0.14 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ig4 h LEU 53 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ig4 h LEU 53 CO -0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1ig4 n GLY 54 N 1.23 3.84 0.04 0.83 0.00 0.14 -4.65 105.19 106.62 1ig4 n GLY 54 Ca 0.01 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.44 1ig4 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ig4 n PRO 55 N -1.44 0.06 -0.46 1.61 -0.04 -1.26 -2.37 135.00 131.10 1ig4 n PRO 55 Ca 0.00 0.33 0.06 0.00 -0.04 0.00 0.00 63.50 63.85 1ig4 n PRO 55 Cb 0.00 -1.63 0.19 0.00 -0.04 0.00 0.00 33.50 32.03 1ig4 n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ig4 n ALA 56 N -1.59 3.31 -3.68 0.55 0.00 -1.26 -4.87 120.51 112.97 1ig4 n ALA 56 Ca 0.03 -3.06 -0.32 0.00 0.00 0.00 0.00 53.44 50.09 1ig4 n ALA 56 Cb 0.17 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 1ig4 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ig4 s ASP 58 N -1.13 3.40 -0.40 0.00 1.01 -1.26 -4.57 116.67 113.72 1ig4 s ASP 58 Ca 0.29 1.31 0.09 0.00 0.71 0.00 0.00 52.55 54.95 1ig4 s ASP 58 Cb -0.02 -1.98 0.29 0.00 1.01 0.00 0.00 42.92 42.22 1ig4 s ASP 58 CO -0.11 -2.66 0.68 0.18 0.21 0.00 0.00 175.17 173.47 1ig4 n LEU 59 N -3.88 -0.16 0.26 1.23 4.77 -1.26 -4.94 117.00 113.03 1ig4 n LEU 59 Ca 0.06 -4.57 0.18 0.00 -0.03 0.00 0.00 56.01 51.66 1ig4 n LEU 59 Cb 0.56 0.72 0.93 0.00 -2.33 0.00 0.00 43.42 43.30 1ig4 n LEU 59 CO 0.56 2.14 1.03 0.74 -1.33 0.00 0.00 177.39 180.54 1ig4 h THR 60 N 1.85 0.00 0.06 -5.08 2.02 -2.00 -2.10 112.91 107.65 1ig4 h THR 60 Ca 0.04 -0.04 -0.31 0.00 0.77 0.00 0.00 66.41 66.87 1ig4 h THR 60 Cb 0.95 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1ig4 h THR 60 CO 0.43 0.00 -1.72 -0.07 0.37 0.00 0.00 175.52 174.53 1ig4 h LEU 61 N 0.00 0.20 -9.28 2.58 3.38 -1.94 -3.45 115.31 106.79 1ig4 h LEU 61 Ca 0.00 -0.39 -0.54 0.00 0.09 0.00 0.00 57.88 57.04 1ig4 h LEU 61 Cb 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ig4 h LEU 61 CO 0.00 1.34 1.17 0.12 0.09 0.00 0.00 178.44 181.17 1ig4 s PHE 62 N -2.60 1.62 0.27 1.13 2.19 -0.79 -3.96 117.98 115.85 1ig4 s PHE 62 Ca -0.10 -0.08 -0.26 0.00 0.33 0.00 0.00 56.93 56.82 1ig4 s PHE 62 Cb 0.07 -4.07 -0.09 0.00 -1.31 0.00 0.00 43.02 37.62 1ig4 s PHE 62 CO 0.82 -4.62 0.89 -0.51 1.83 0.00 0.00 175.22 173.62 1ig4 s ASP 63 N 4.10 7.36 0.04 6.13 1.01 -1.02 -4.91 116.67 129.39 1ig4 s ASP 63 Ca 0.81 1.77 0.01 0.00 0.71 0.00 0.00 52.55 55.86 1ig4 s ASP 63 Cb -0.37 -2.55 -0.25 0.00 1.01 0.00 0.00 42.92 40.75 1ig4 s ASP 63 CO 0.35 0.02 1.01 0.15 0.21 0.00 0.00 175.17 176.91 1ig4 h PHE 64 N 3.52 0.28 0.01 4.23 3.57 -1.93 0.82 116.94 127.45 1ig4 h PHE 64 Ca -0.47 -0.21 -0.26 0.00 3.53 0.00 0.00 57.97 60.57 1ig4 h PHE 64 Cb 1.19 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 1ig4 h PHE 64 CO 0.62 1.21 -1.39 -0.22 -2.23 0.00 0.00 178.31 176.30 1ig4 h LYS 65 N 0.04 0.03 0.05 1.11 1.63 -1.93 -3.38 116.57 114.12 1ig4 h LYS 65 Ca -0.16 -0.05 -0.38 0.00 -0.85 0.00 0.00 60.65 59.21 1ig4 h LYS 65 Cb 1.94 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 33.54 1ig4 h LYS 65 CO 0.15 0.78 -2.26 1.04 -3.45 0.00 0.00 179.45 175.71 1ig4 n GLN 66 N -3.22 0.69 -2.72 1.90 6.02 -1.25 -4.90 117.38 113.90 1ig4 n GLN 66 Ca -0.10 0.19 -0.07 0.00 -0.01 0.00 0.00 57.00 57.01 1ig4 n GLN 66 Cb 1.00 -1.60 0.03 0.00 1.02 0.00 0.00 30.24 30.69 1ig4 n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ig4 n GLY 67 N 2.11 0.31 3.17 1.08 0.00 0.28 -4.98 105.19 107.15 1ig4 n GLY 67 Ca -0.39 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 1ig4 n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ig4 s ILE 68 N -3.12 0.17 -1.18 -0.61 -4.36 -1.26 -3.95 121.20 106.90 1ig4 s ILE 68 Ca 0.11 -1.41 -0.12 0.00 -0.26 0.00 0.00 60.65 58.98 1ig4 s ILE 68 Cb -0.05 -1.41 0.21 0.00 1.25 0.00 0.00 42.46 42.45 1ig4 s ILE 68 CO 0.26 -0.77 1.33 -0.76 0.24 0.00 0.00 174.94 175.24 1ig4 s LEU 69 N -2.88 5.47 0.64 0.37 1.43 -1.26 -2.43 118.68 120.01 1ig4 s LEU 69 Ca 0.06 -3.19 0.28 0.00 -1.03 0.00 0.00 54.13 50.25 1ig4 s LEU 69 Cb 0.06 -2.34 1.49 0.00 0.03 0.00 0.00 46.19 45.43 1ig4 s LEU 69 CO -0.10 -0.60 1.86 0.00 0.23 0.00 0.00 176.35 177.74 1ig4 n TYR 71 N -3.16 -3.71 -2.21 0.00 4.02 -1.26 -4.34 117.16 106.49 1ig4 n TYR 71 Ca 0.02 1.99 -0.32 0.00 -0.01 0.00 0.00 57.90 59.58 1ig4 n TYR 71 Cb 0.52 -3.38 -0.04 0.00 -0.02 0.00 0.00 39.34 36.42 1ig4 n TYR 71 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1ig4 s PRO 72 N -3.73 2.88 -0.41 -0.72 0.04 -1.26 -4.83 135.00 126.98 1ig4 s PRO 72 Ca 0.00 -0.47 0.06 0.00 0.04 0.00 0.00 61.00 60.63 1ig4 s PRO 72 Cb 0.00 -5.07 0.20 0.00 0.04 0.00 0.00 34.50 29.67 1ig4 s PRO 72 CO 0.00 -2.96 0.42 0.00 0.04 0.00 0.00 177.00 174.50 1ig4 n ALA 73 N 12.27 2.69 -2.25 8.56 0.00 -1.26 -5.09 120.51 135.44 1ig4 n ALA 73 Ca 0.36 -3.24 -0.43 0.00 0.00 0.00 0.00 53.44 50.12 1ig4 n ALA 73 Cb 0.49 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 1ig4 n ALA 73 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ig4 s PRO 74 N -0.47 3.63 0.00 0.00 0.04 -1.26 -5.20 135.00 131.73 1ig4 s PRO 74 Ca 0.34 1.22 0.29 0.00 0.04 0.00 0.00 61.00 62.89 1ig4 s PRO 74 Cb 0.09 -4.04 1.27 0.00 0.04 0.00 0.00 34.50 31.87 1ig4 s PRO 74 CO -0.16 -1.50 1.87 1.63 0.04 0.00 0.00 177.00 178.88