#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ig4 s ALA 2 N 0.00 2.50 0.00 -5.12 0.00 -1.26 -4.67 121.76 113.22 1ig4 s ALA 2 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1ig4 s ALA 2 Cb 0.00 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.79 1ig4 s ALA 2 CO 0.00 -3.62 0.00 0.39 0.00 0.00 0.00 175.76 172.53 1ig4 n GLU 3 N 9.22 0.00 -3.15 0.00 4.71 -1.26 -4.09 120.64 126.06 1ig4 n GLU 3 Ca 0.15 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.35 1ig4 n GLU 3 Cb 0.50 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.93 1ig4 n GLU 3 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1ig4 s ASP 4 N -3.74 -0.59 -0.18 1.62 1.01 -1.26 -5.11 116.67 108.42 1ig4 s ASP 4 Ca 0.00 0.12 -0.24 0.00 0.71 0.00 0.00 52.55 53.14 1ig4 s ASP 4 Cb 0.00 1.39 -0.02 0.00 1.01 0.00 0.00 42.92 45.31 1ig4 s ASP 4 CO 0.00 -0.11 0.80 0.26 0.21 0.00 0.00 175.17 176.33 1ig4 s TRP 5 N 2.94 3.41 0.27 4.23 0.52 -1.26 -4.32 118.94 124.73 1ig4 s TRP 5 Ca 0.20 1.19 0.09 0.00 0.02 0.00 0.00 56.10 57.60 1ig4 s TRP 5 Cb -0.05 -2.98 -0.04 0.00 -1.15 0.00 0.00 33.47 29.25 1ig4 s TRP 5 CO -0.21 -0.24 0.07 -0.51 0.02 0.00 0.00 176.95 176.08 1ig4 s LEU 6 N 2.15 3.39 1.04 2.99 1.43 0.14 -4.89 118.68 124.93 1ig4 s LEU 6 Ca 0.36 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.78 1ig4 s LEU 6 Cb -0.16 -1.91 0.21 0.00 0.03 0.00 0.00 46.19 44.35 1ig4 s LEU 6 CO 0.12 -0.04 1.14 -1.81 0.23 0.00 0.00 176.35 175.98 1ig4 s ASP 7 N -3.75 2.36 -0.39 2.29 1.01 -1.26 0.57 116.67 117.51 1ig4 s ASP 7 Ca 0.33 0.84 0.04 0.00 0.71 0.00 0.00 52.55 54.47 1ig4 s ASP 7 Cb -0.06 -1.28 0.16 0.00 1.01 0.00 0.00 42.92 42.74 1ig4 s ASP 7 CO 0.22 -3.26 0.43 0.00 0.21 0.00 0.00 175.17 172.77 1ig4 n PRO 9 N 4.12 0.31 0.20 0.00 -0.04 -1.26 -3.44 135.00 134.89 1ig4 n PRO 9 Ca 0.13 0.09 0.14 0.00 -0.04 0.00 0.00 63.50 63.82 1ig4 n PRO 9 Cb 0.48 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.16 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 2.93 1.01 0.00 0.55 0.00 -1.86 -3.37 119.26 118.52 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 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ig4 h ALA 10 CO 0.00 -0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1ig4 n LEU 11 N -2.44 0.05 0.00 0.00 4.32 -1.22 -4.50 117.00 113.21 1ig4 n LEU 11 Ca -0.02 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ig4 n LEU 11 Cb 0.06 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1ig4 n LEU 11 CO 0.12 -0.52 0.00 0.61 -1.22 0.00 0.00 177.39 176.38 1ig4 n GLY 12 N 2.85 0.82 3.76 -0.72 0.00 -1.26 -5.11 105.19 105.53 1ig4 n GLY 12 Ca 0.00 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 1ig4 n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ig4 s PRO 13 N 0.28 4.45 0.00 1.61 0.04 -1.26 -3.39 135.00 136.74 1ig4 s PRO 13 Ca 0.00 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1ig4 s PRO 13 Cb 0.00 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1ig4 s PRO 13 CO 0.00 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1ig4 n GLY 14 N 0.94 2.23 3.77 0.56 0.00 -1.26 -4.59 105.19 106.84 1ig4 n GLY 14 Ca 0.01 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.31 3.00 0.01 1.61 0.52 -1.22 -3.94 118.94 116.62 1ig4 s TRP 15 Ca 0.00 1.42 -0.00 0.00 0.02 0.00 0.00 56.10 57.54 1ig4 s TRP 15 Cb 0.00 -3.66 -0.01 0.00 -1.15 0.00 0.00 33.47 28.64 1ig4 s TRP 15 CO 0.00 -1.87 -0.02 0.15 0.02 0.00 0.00 176.95 175.23 1ig4 s LYS 16 N -1.91 0.24 0.10 4.98 -0.14 -1.03 -3.26 119.74 118.73 1ig4 s LYS 16 Ca 0.51 -0.46 0.08 0.00 -1.36 0.00 0.00 55.97 54.74 1ig4 s LYS 16 Cb -0.39 0.09 -0.04 0.00 -1.68 0.00 0.00 37.83 35.81 1ig4 s LYS 16 CO 0.51 -0.04 -0.20 0.50 -0.76 0.00 0.00 175.35 175.36 1ig4 s ARG 17 N -1.11 1.12 0.00 1.68 3.52 0.19 -0.82 118.95 123.53 1ig4 s ARG 17 Ca -0.12 -1.17 -0.00 0.00 -0.13 0.00 0.00 55.73 54.31 1ig4 s ARG 17 Cb -0.08 -1.35 -0.00 0.00 -1.56 0.00 0.00 34.95 31.96 1ig4 s ARG 17 CO -0.01 0.31 0.00 0.50 -0.81 0.00 0.00 175.30 175.30 1ig4 s ARG 18 N -1.96 0.03 -0.14 5.12 3.52 0.00 0.28 118.95 125.80 1ig4 s ARG 18 Ca 0.07 -0.04 -0.08 0.00 -0.13 0.00 0.00 55.73 55.55 1ig4 s ARG 18 Cb -0.10 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.26 1ig4 s ARG 18 CO 0.04 -0.00 0.14 -1.21 -0.81 0.00 0.00 175.30 173.46 1ig4 s GLU 19 N -0.11 3.62 -0.37 5.12 2.02 -1.26 -0.79 118.70 126.92 1ig4 s GLU 19 Ca -0.01 -0.14 0.03 0.00 0.02 0.00 0.00 54.97 54.87 1ig4 s GLU 19 Cb -0.01 -3.24 0.11 0.00 0.10 0.00 0.00 34.13 31.09 1ig4 s GLU 19 CO -0.00 0.67 0.10 0.08 0.02 0.00 0.00 175.26 176.12 1ig4 s VAL 20 N -0.71 2.15 -0.00 2.63 1.01 0.16 -4.86 120.40 120.77 1ig4 s VAL 20 Ca 0.14 -2.42 -0.04 0.00 0.00 0.00 0.00 61.98 59.66 1ig4 s VAL 20 Cb -0.12 -2.58 -0.16 0.00 0.00 0.00 0.00 36.38 33.52 1ig4 s VAL 20 CO 0.03 -0.65 3.00 0.49 0.00 0.00 0.00 175.10 177.97 1ig4 n PHE 21 N 4.10 0.02 -1.08 5.22 3.72 -1.25 0.51 117.46 128.69 1ig4 n PHE 21 Ca 0.04 -1.31 0.11 0.00 -0.05 0.00 0.00 57.45 56.23 1ig4 n PHE 21 Cb 0.40 -1.18 -0.05 0.00 -0.94 0.00 0.00 39.48 37.72 1ig4 n PHE 21 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ig4 n ARG 22 N 2.10 -1.95 0.00 -1.08 5.12 -0.42 -4.10 116.66 116.33 1ig4 n ARG 22 Ca 0.27 1.51 0.00 0.00 -1.93 0.00 0.00 57.85 57.69 1ig4 n ARG 22 Cb 0.76 -2.51 0.00 0.00 -1.16 0.00 0.00 32.46 29.55 1ig4 n ARG 22 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1ig4 n LYS 23 N -3.55 1.09 -3.62 5.56 4.76 -1.26 -4.71 118.16 116.43 1ig4 n LYS 23 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1ig4 n LYS 23 Cb 0.55 -0.71 0.00 0.00 -1.84 0.00 0.00 35.03 33.03 1ig4 n LYS 23 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1ig4 n SER 24 N -1.39 0.00 0.00 4.39 7.64 -1.26 -4.95 113.62 118.05 1ig4 n SER 24 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ig4 n SER 24 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1ig4 n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ig4 n GLY 25 N 0.00 1.89 0.08 0.23 0.00 -1.26 -4.00 105.19 102.13 1ig4 n GLY 25 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.00 1.63 4.61 0.00 -1.26 -4.89 120.51 120.61 1ig4 n ALA 26 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1ig4 n ALA 26 Cb 0.00 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.24 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 -1.18 0.03 -1.49 0.00 -2.24 -1.26 -4.90 114.28 103.24 1ig4 n THR 27 Ca 0.00 0.01 -0.54 0.00 -2.27 0.00 0.00 64.05 61.25 1ig4 n THR 27 Cb 0.00 -0.57 -0.06 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 1.75 1.89 3.91 0.00 0.00 -1.26 -4.98 105.19 106.50 1ig4 n GLY 29 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.48 2.65 -0.29 1.61 0.52 -1.01 -4.87 118.95 117.07 1ig4 s ARG 30 Ca 0.00 0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.28 1ig4 s ARG 30 Cb 0.00 -2.16 0.09 0.00 0.52 0.00 0.00 34.95 33.40 1ig4 s ARG 30 CO 0.00 -0.99 0.04 -1.54 0.02 0.00 0.00 175.30 172.83 1ig4 s SER 31 N -4.39 4.14 -0.26 0.23 1.04 -1.25 -1.31 113.70 111.89 1ig4 s SER 31 Ca 0.57 -1.62 -0.11 0.00 0.48 0.00 0.00 55.95 55.27 1ig4 s SER 31 Cb -0.11 -1.15 -0.05 0.00 0.10 0.00 0.00 66.02 64.81 1ig4 s SER 31 CO 0.47 -0.35 0.18 -1.81 0.98 0.00 0.00 173.24 172.71 1ig4 s ASP 32 N 1.37 6.06 -0.27 7.02 1.11 0.18 -4.81 116.67 127.33 1ig4 s ASP 32 Ca 0.05 0.04 -0.12 0.00 0.18 0.00 0.00 52.55 52.71 1ig4 s ASP 32 Cb -0.18 -2.11 -0.05 0.00 1.07 0.00 0.00 42.92 41.65 1ig4 s ASP 32 CO -0.14 -0.00 0.23 -0.89 1.18 0.00 0.00 175.17 175.54 1ig4 s THR 33 N 1.46 5.29 0.26 -1.27 2.01 -1.26 0.35 115.64 122.48 1ig4 s THR 33 Ca 0.07 0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.41 1ig4 s THR 33 Cb -0.15 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1ig4 s THR 33 CO 0.08 0.25 0.18 -0.31 -0.69 0.00 0.00 174.62 174.13 1ig4 s TYR 34 N 1.69 3.05 0.03 4.92 1.51 0.03 -4.63 117.35 123.95 1ig4 s TYR 34 Ca 0.09 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 1ig4 s TYR 34 Cb -0.16 -1.41 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 1ig4 s TYR 34 CO 0.10 0.50 -0.04 0.71 -1.11 0.00 0.00 175.55 175.71 1ig4 s TYR 35 N -2.17 0.39 -0.06 2.71 1.51 -0.22 -0.82 117.35 118.70 1ig4 s TYR 35 Ca 0.33 -0.55 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 1ig4 s TYR 35 Cb -0.07 -0.26 -0.02 0.00 -0.11 0.00 0.00 41.96 41.49 1ig4 s TYR 35 CO 0.25 -0.17 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.24 1ig4 s GLN 36 N -1.62 2.65 1.15 -0.62 0.74 -0.00 -0.69 119.66 121.28 1ig4 s GLN 36 Ca -0.13 -0.69 -0.17 0.00 0.05 0.00 0.00 55.36 54.42 1ig4 s GLN 36 Cb -0.09 -2.43 0.21 0.00 1.10 0.00 0.00 33.01 31.81 1ig4 s GLN 36 CO -0.01 0.56 0.42 0.43 -0.55 0.00 0.00 175.29 176.14 1ig4 n SER 37 N 2.49 -3.06 -0.12 6.67 7.64 0.12 -2.45 113.62 124.92 1ig4 n SER 37 Ca -0.17 -0.43 0.15 0.00 1.01 0.00 0.00 58.87 59.43 1ig4 n SER 37 Cb 0.52 -0.89 0.83 0.00 -1.01 0.00 0.00 64.21 63.66 1ig4 n SER 37 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ig4 n PRO 38 N -2.98 1.16 -0.38 1.43 -0.04 -1.25 -3.98 135.00 128.96 1ig4 n PRO 38 Ca 0.06 -0.23 -0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1ig4 n PRO 38 Cb 0.48 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1ig4 n PRO 38 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ig4 n THR 39 N -0.71 0.00 0.00 0.52 5.66 -1.26 -4.24 114.28 114.25 1ig4 n THR 39 Ca 0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 1ig4 n THR 39 Cb 0.17 0.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.96 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 0.42 0.00 1.09 0.00 -1.26 -5.17 105.19 100.28 1ig4 n GLY 40 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.74 1.61 2.03 -1.26 -4.91 116.55 109.28 1ig4 n ASP 41 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 1ig4 n ASP 41 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1ig4 n ASP 41 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ig4 s ARG 42 N 0.00 4.79 0.02 -0.67 1.81 -1.26 0.16 118.95 123.80 1ig4 s ARG 42 Ca 0.00 1.48 -0.00 0.00 -1.72 0.00 0.00 55.73 55.49 1ig4 s ARG 42 Cb 0.00 -3.31 -0.02 0.00 -0.45 0.00 0.00 34.95 31.16 1ig4 s ARG 42 CO 0.00 0.40 -0.02 0.42 -0.68 0.00 0.00 175.30 175.41 1ig4 s ILE 43 N -0.73 0.12 0.00 1.52 1.01 0.14 -4.90 121.20 118.36 1ig4 s ILE 43 Ca 0.43 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1ig4 s ILE 43 Cb -0.25 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 41.84 1ig4 s ILE 43 CO 0.31 -0.54 0.22 0.54 0.00 0.00 0.00 174.94 175.48 1ig4 n ARG 44 N 1.46 0.74 -0.70 2.79 1.74 -1.26 -1.05 116.66 120.37 1ig4 n ARG 44 Ca -0.23 -0.22 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 1ig4 n ARG 44 Cb 0.56 -0.67 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 1ig4 n ARG 44 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ig4 n SER 45 N -0.17 0.00 -0.02 0.55 7.64 -1.26 -4.63 113.62 115.73 1ig4 n SER 45 Ca 0.00 -0.67 -0.16 0.00 1.01 0.00 0.00 58.87 59.05 1ig4 n SER 45 Cb 0.07 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.15 1ig4 n SER 45 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1ig4 h LYS 46 N 0.00 0.19 -0.45 1.43 3.64 -1.96 -3.07 116.57 116.34 1ig4 h LYS 46 Ca 0.00 -0.23 0.09 0.00 -1.27 0.00 0.00 60.65 59.24 1ig4 h LYS 46 Cb 0.00 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.81 1ig4 h LYS 46 CO 0.00 1.00 -0.06 0.28 -2.27 0.00 0.00 179.45 178.40 1ig4 h VAL 47 N -0.52 0.60 -0.94 2.00 2.07 -1.98 0.69 116.25 118.17 1ig4 h VAL 47 Ca -0.05 -0.02 0.21 0.00 0.82 0.00 0.00 66.70 67.66 1ig4 h VAL 47 Cb 1.13 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 1ig4 h VAL 47 CO 0.06 0.01 0.61 -0.33 0.02 0.00 0.00 177.57 177.95 1ig4 h GLU 48 N 0.05 0.48 -0.32 1.57 4.39 -1.96 0.58 114.58 119.36 1ig4 h GLU 48 Ca 0.22 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 1ig4 h GLU 48 Cb 0.33 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1ig4 h GLU 48 CO -0.42 0.31 -0.06 1.25 -1.16 0.00 0.00 179.01 178.94 1ig4 h LEU 49 N 0.49 0.60 -1.88 1.33 5.85 0.32 -2.04 115.31 119.98 1ig4 h LEU 49 Ca 0.51 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1ig4 h LEU 49 Cb 1.14 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1ig4 h LEU 49 CO -0.23 0.81 0.00 0.74 -0.34 0.00 0.00 178.44 179.42 1ig4 h THR 50 N 0.38 0.00 0.07 1.05 2.02 0.31 -2.24 112.91 114.49 1ig4 h THR 50 Ca 0.08 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1ig4 h THR 50 Cb 0.54 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1ig4 h THR 50 CO 0.03 0.00 -0.03 0.03 0.37 0.00 0.00 175.52 175.92 1ig4 h ARG 51 N 0.00 -0.09 -0.15 6.66 3.08 -0.16 -3.04 114.38 120.68 1ig4 h ARG 51 Ca 0.00 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1ig4 h ARG 51 Cb 0.14 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1ig4 h ARG 51 CO 0.00 -0.06 0.14 -0.92 -1.07 0.00 0.00 179.97 178.06 1ig4 h TYR 52 N -0.63 0.00 -0.03 3.04 3.20 -1.49 0.25 116.97 121.31 1ig4 h TYR 52 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1ig4 h TYR 52 Cb 0.07 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1ig4 h TYR 52 CO 0.01 0.00 0.00 1.28 -1.64 0.00 0.00 178.16 177.81 1ig4 n LEU 53 N -4.10 0.54 0.00 2.82 4.77 -0.85 -5.01 117.00 115.18 1ig4 n LEU 53 Ca 0.01 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1ig4 n LEU 53 Cb 0.26 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1ig4 n LEU 53 CO 0.31 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1ig4 n GLY 54 N 1.00 0.37 0.00 -0.72 0.00 0.87 -4.10 105.19 102.61 1ig4 n GLY 54 Ca 0.19 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 0.61 0.46 -0.00 1.61 -0.04 -1.25 -2.85 135.00 133.54 1ig4 n PRO 55 Ca 0.00 0.05 0.09 0.00 -0.04 0.00 0.00 63.50 63.60 1ig4 n PRO 55 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.19 4.25 -1.00 0.55 0.00 -1.26 -4.97 120.51 116.88 1ig4 n ALA 56 Ca 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1ig4 n ALA 56 Cb 0.15 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.62 -0.50 -0.30 0.00 1.01 -1.26 -5.06 116.67 108.94 1ig4 s ASP 58 Ca 0.00 0.79 0.17 0.00 0.71 0.00 0.00 52.55 54.22 1ig4 s ASP 58 Cb 0.00 1.21 0.48 0.00 1.01 0.00 0.00 42.92 45.62 1ig4 s ASP 58 CO 0.00 -0.13 1.09 0.18 0.21 0.00 0.00 175.17 176.52 1ig4 n LEU 59 N 3.71 2.57 0.33 1.23 4.77 -1.26 -4.86 117.00 123.49 1ig4 n LEU 59 Ca -0.18 -3.78 0.21 0.00 -0.03 0.00 0.00 56.01 52.23 1ig4 n LEU 59 Cb 0.57 0.20 1.13 0.00 -2.33 0.00 0.00 43.42 42.99 1ig4 n LEU 59 CO 0.02 1.51 1.17 0.74 -1.33 0.00 0.00 177.39 179.50 1ig4 h THR 60 N 3.96 0.12 0.00 -5.08 2.02 -2.02 -0.70 112.91 111.21 1ig4 h THR 60 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1ig4 h THR 60 Cb 1.27 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1ig4 h THR 60 CO 0.45 0.00 -1.34 0.18 0.37 0.00 0.00 175.52 175.17 1ig4 n LEU 61 N -3.24 0.57 -4.75 2.58 4.77 -1.26 -4.91 117.00 110.75 1ig4 n LEU 61 Ca -0.03 0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.76 1ig4 n LEU 61 Cb 0.10 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1ig4 n LEU 61 CO 0.21 -0.12 1.22 0.12 -1.33 0.00 0.00 177.39 177.49 1ig4 s PHE 62 N -3.41 2.77 -0.14 -1.77 2.19 -0.27 -2.94 117.98 114.41 1ig4 s PHE 62 Ca -0.03 0.85 -0.07 0.00 0.33 0.00 0.00 56.93 58.01 1ig4 s PHE 62 Cb 0.11 -4.03 -0.04 0.00 -1.31 0.00 0.00 43.02 37.75 1ig4 s PHE 62 CO 0.83 -3.41 0.10 0.34 1.83 0.00 0.00 175.22 174.92 1ig4 s ASP 63 N 0.42 6.05 -0.02 6.13 -1.08 -0.61 -4.93 116.67 122.63 1ig4 s ASP 63 Ca 0.62 0.30 -0.03 0.00 -0.52 0.00 0.00 52.55 52.92 1ig4 s ASP 63 Cb -0.47 -1.97 -0.02 0.00 -1.46 0.00 0.00 42.92 39.00 1ig4 s ASP 63 CO 0.49 0.31 0.30 0.15 0.52 0.00 0.00 175.17 176.94 1ig4 h PHE 64 N 5.70 -0.11 -0.66 -5.34 3.57 -1.94 0.88 116.94 119.05 1ig4 h PHE 64 Ca -0.48 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.21 1ig4 h PHE 64 Cb 1.19 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 1ig4 h PHE 64 CO 0.66 -0.07 0.51 -0.22 -2.23 0.00 0.00 178.31 176.97 1ig4 h LYS 65 N -0.36 0.00 0.01 1.11 1.63 -1.96 -2.82 116.57 114.18 1ig4 h LYS 65 Ca -0.01 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.41 1ig4 h LYS 65 Cb 0.09 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.66 1ig4 h LYS 65 CO 0.02 0.00 -2.13 1.04 -3.45 0.00 0.00 179.45 174.93 1ig4 n GLN 66 N -4.16 0.60 -1.90 1.90 6.02 -1.25 -5.00 117.38 113.59 1ig4 n GLN 66 Ca 0.13 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1ig4 n GLN 66 Cb 0.76 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.44 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 1.49 0.57 3.18 1.08 0.00 0.30 -5.01 105.19 106.80 1ig4 n GLY 67 Ca -0.45 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.82 0.16 -1.21 -0.61 -4.36 -1.23 -3.96 121.20 107.17 1ig4 s ILE 68 Ca 0.00 -1.29 -0.14 0.00 -0.26 0.00 0.00 60.65 58.95 1ig4 s ILE 68 Cb 0.00 -1.35 0.16 0.00 1.25 0.00 0.00 42.46 42.52 1ig4 s ILE 68 CO 0.00 -0.71 1.47 -0.76 0.24 0.00 0.00 174.94 175.18 1ig4 s LEU 69 N -2.82 4.87 -0.90 0.37 1.43 -1.26 -1.57 118.68 118.80 1ig4 s LEU 69 Ca 0.05 -2.89 -0.18 0.00 -1.03 0.00 0.00 54.13 50.08 1ig4 s LEU 69 Cb 0.05 -2.43 -0.25 0.00 0.03 0.00 0.00 46.19 43.60 1ig4 s LEU 69 CO -0.10 -0.82 2.31 0.00 0.23 0.00 0.00 176.35 177.97 1ig4 n TYR 71 N 10.77 -3.94 -2.41 0.00 4.01 -1.26 -4.89 117.16 119.45 1ig4 n TYR 71 Ca 0.59 0.06 -0.36 0.00 -0.16 0.00 0.00 57.90 58.03 1ig4 n TYR 71 Cb 0.24 -1.55 -0.03 0.00 -0.31 0.00 0.00 39.34 37.70 1ig4 n TYR 71 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ig4 s PRO 72 N -2.57 3.93 0.08 -0.72 0.04 -1.26 -5.05 135.00 129.44 1ig4 s PRO 72 Ca 0.46 1.61 -0.22 0.00 0.04 0.00 0.00 61.00 62.89 1ig4 s PRO 72 Cb -0.19 -2.42 0.05 0.00 0.04 0.00 0.00 34.50 31.98 1ig4 s PRO 72 CO 0.78 -0.37 0.52 0.00 0.04 0.00 0.00 177.00 177.97 1ig4 s ALA 73 N -1.65 -1.34 0.00 8.56 0.00 -1.26 -5.11 121.76 120.96 1ig4 s ALA 73 Ca 0.62 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1ig4 s ALA 73 Cb -0.24 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1ig4 s ALA 73 CO 0.30 -0.57 0.15 -0.35 0.00 0.00 0.00 175.76 175.28 1ig4 n PRO 74 N 0.18 0.00 0.00 0.00 -0.04 -1.26 -5.31 135.00 128.57 1ig4 n PRO 74 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1ig4 n PRO 74 Cb 0.62 -0.57 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 1ig4 n PRO 74 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63