#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 2.14 -0.13 3.17 0.00 -1.26 -4.79 120.51 119.64 1ig4 n ALA 2 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1ig4 n ALA 2 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.11 -0.68 -2.41 0.00 4.71 -1.26 -5.10 120.64 115.80 1ig4 n GLU 3 Ca 0.03 -0.48 -0.01 0.00 -0.01 0.00 0.00 57.16 56.69 1ig4 n GLU 3 Cb 0.77 -0.93 -0.01 0.00 -1.01 0.00 0.00 31.44 30.26 1ig4 n GLU 3 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1ig4 n ASP 4 N -0.02 -7.24 -4.72 1.62 -0.08 -1.26 -4.58 116.55 100.27 1ig4 n ASP 4 Ca 0.00 1.74 -0.42 0.00 -1.51 0.00 0.00 54.79 54.60 1ig4 n ASP 4 Cb 0.05 -5.10 -0.04 0.00 2.34 0.00 0.00 41.12 38.38 1ig4 n ASP 4 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1ig4 s TRP 5 N -0.59 3.71 0.26 -0.67 0.52 -1.26 -4.66 118.94 116.25 1ig4 s TRP 5 Ca -0.06 1.72 0.08 0.00 0.02 0.00 0.00 56.10 57.86 1ig4 s TRP 5 Cb 0.00 -3.11 -0.04 0.00 -1.15 0.00 0.00 33.47 29.18 1ig4 s TRP 5 CO 0.17 0.02 0.12 -0.51 0.02 0.00 0.00 176.95 176.78 1ig4 s LEU 6 N 0.61 3.57 1.37 2.99 1.43 0.14 -4.90 118.68 123.89 1ig4 s LEU 6 Ca 0.50 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.97 1ig4 s LEU 6 Cb -0.22 -2.10 0.35 0.00 0.03 0.00 0.00 46.19 44.25 1ig4 s LEU 6 CO 0.29 -0.04 0.98 -1.81 0.23 0.00 0.00 176.35 176.00 1ig4 s ASP 7 N -3.78 -0.61 -0.40 2.29 1.11 -1.26 0.47 116.67 114.48 1ig4 s ASP 7 Ca 0.33 0.78 0.05 0.00 0.18 0.00 0.00 52.55 53.89 1ig4 s ASP 7 Cb -0.07 -1.09 0.17 0.00 1.07 0.00 0.00 42.92 43.00 1ig4 s ASP 7 CO 0.23 -5.08 0.48 0.00 1.18 0.00 0.00 175.17 171.98 1ig4 n PRO 9 N 4.08 0.22 -0.29 0.00 -0.04 -1.26 -3.65 135.00 134.06 1ig4 n PRO 9 Ca 0.13 0.12 0.14 0.00 -0.04 0.00 0.00 63.50 63.85 1ig4 n PRO 9 Cb 0.50 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.86 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 2.86 1.90 0.00 0.55 0.00 -1.84 -3.36 119.26 119.37 1ig4 h ALA 10 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ig4 h ALA 10 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ig4 h ALA 10 CO 0.00 -0.19 -0.27 1.28 0.00 0.00 0.00 179.25 180.07 1ig4 n LEU 11 N -4.60 0.98 0.00 0.00 4.32 -1.24 -3.83 117.00 112.64 1ig4 n LEU 11 Ca 0.20 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 1ig4 n LEU 11 Cb 0.56 -0.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 1ig4 n LEU 11 CO 0.28 -0.54 0.00 0.61 -1.22 0.00 0.00 177.39 176.52 1ig4 n GLY 12 N 2.68 0.90 3.78 -0.72 0.00 -1.25 -5.11 105.19 105.47 1ig4 n GLY 12 Ca -0.04 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 0.95 4.07 0.00 1.61 0.04 -1.26 -3.49 135.00 136.92 1ig4 s PRO 13 Ca 0.00 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1ig4 s PRO 13 Cb 0.00 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1ig4 s PRO 13 CO 0.00 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.21 1ig4 n GLY 14 N 0.37 3.05 3.74 0.56 0.00 -1.26 -4.58 105.19 107.08 1ig4 n GLY 14 Ca 0.05 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.57 2.22 0.02 1.61 0.52 -1.23 -4.08 118.94 116.44 1ig4 s TRP 15 Ca 0.00 1.42 -0.00 0.00 0.02 0.00 0.00 56.10 57.53 1ig4 s TRP 15 Cb 0.00 -3.75 -0.02 0.00 -1.15 0.00 0.00 33.47 28.55 1ig4 s TRP 15 CO 0.00 -2.88 -0.02 0.15 0.02 0.00 0.00 176.95 174.22 1ig4 s LYS 16 N -3.08 0.37 0.01 4.98 3.01 -1.02 -2.99 119.74 121.02 1ig4 s LYS 16 Ca 0.76 -0.71 0.03 0.00 -1.01 0.00 0.00 55.97 55.04 1ig4 s LYS 16 Cb -0.39 0.13 -0.01 0.00 -1.01 0.00 0.00 37.83 36.55 1ig4 s LYS 16 CO 0.44 -0.06 -0.10 0.50 0.51 0.00 0.00 175.35 176.64 1ig4 s ARG 17 N -1.87 0.73 0.00 1.68 3.52 0.18 -1.53 118.95 121.66 1ig4 s ARG 17 Ca -0.12 -0.49 0.03 0.00 -0.13 0.00 0.00 55.73 55.02 1ig4 s ARG 17 Cb -0.07 -0.69 -0.01 0.00 -1.56 0.00 0.00 34.95 32.63 1ig4 s ARG 17 CO -0.02 0.18 -0.09 0.50 -0.81 0.00 0.00 175.30 175.05 1ig4 s ARG 18 N -0.65 0.70 -0.20 5.12 3.52 0.10 0.23 118.95 127.77 1ig4 s ARG 18 Ca 0.01 -0.40 -0.11 0.00 -0.13 0.00 0.00 55.73 55.10 1ig4 s ARG 18 Cb -0.05 -0.66 -0.05 0.00 -1.56 0.00 0.00 34.95 32.63 1ig4 s ARG 18 CO 0.00 0.17 0.16 -1.21 -0.81 0.00 0.00 175.30 173.61 1ig4 s GLU 19 N -0.45 4.18 -0.38 5.12 2.02 -1.26 -0.98 118.70 126.94 1ig4 s GLU 19 Ca 0.02 -0.19 -0.00 0.00 0.02 0.00 0.00 54.97 54.81 1ig4 s GLU 19 Cb -0.04 -3.44 0.11 0.00 0.10 0.00 0.00 34.13 30.85 1ig4 s GLU 19 CO -0.00 0.24 0.15 0.08 0.02 0.00 0.00 175.26 175.75 1ig4 s VAL 20 N 0.51 2.90 -0.10 2.63 1.01 0.17 -4.90 120.40 122.62 1ig4 s VAL 20 Ca 0.09 -2.19 -0.05 0.00 0.00 0.00 0.00 61.98 59.83 1ig4 s VAL 20 Cb -0.12 -3.04 -0.20 0.00 0.00 0.00 0.00 36.38 33.03 1ig4 s VAL 20 CO -0.00 -0.66 3.43 0.33 0.00 0.00 0.00 175.10 178.20 1ig4 n PHE 21 N 4.44 0.35 -0.70 5.22 -0.00 -1.26 0.35 117.46 125.87 1ig4 n PHE 21 Ca 0.00 -1.59 0.09 0.00 -0.00 0.00 0.00 57.45 55.95 1ig4 n PHE 21 Cb 0.41 -1.55 -0.02 0.00 -0.00 0.00 0.00 39.48 38.33 1ig4 n PHE 21 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1ig4 n ARG 22 N 2.14 -1.34 0.00 -4.13 5.12 -0.24 -4.27 116.66 113.93 1ig4 n ARG 22 Ca 0.44 0.88 0.00 0.00 -1.93 0.00 0.00 57.85 57.24 1ig4 n ARG 22 Cb 0.84 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 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 -2.22 0.00 -3.60 5.56 4.81 -1.26 -4.83 118.16 116.62 1ig4 n LYS 23 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ig4 n LYS 23 Cb 0.30 -0.48 0.00 0.00 0.02 0.00 0.00 35.03 34.87 1ig4 n LYS 23 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1ig4 n SER 24 N -1.15 0.00 0.00 3.14 7.64 -1.26 -4.98 113.62 117.01 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 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.60 0.62 0.23 0.00 -1.26 -4.04 105.19 101.33 1ig4 n GLY 25 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.94 1.33 1.42 4.61 0.00 -1.26 -4.83 120.51 122.72 1ig4 n ALA 26 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1ig4 n ALA 26 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.81 0.07 -1.45 0.00 -2.24 -1.26 -4.89 114.28 102.70 1ig4 n THR 27 Ca 0.00 0.02 -0.47 0.00 -2.27 0.00 0.00 64.05 61.33 1ig4 n THR 27 Cb 0.00 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 67.57 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 1.80 2.37 3.83 0.00 0.00 -1.26 -5.00 105.19 106.93 1ig4 n GLY 29 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.80 4.16 -0.37 1.61 0.52 -1.02 -4.87 118.95 118.18 1ig4 s ARG 30 Ca 0.00 0.96 -0.03 0.00 -0.52 0.00 0.00 55.73 56.14 1ig4 s ARG 30 Cb 0.00 -2.30 0.09 0.00 0.52 0.00 0.00 34.95 33.26 1ig4 s ARG 30 CO 0.00 0.05 0.14 -1.54 0.02 0.00 0.00 175.30 173.97 1ig4 s SER 31 N -2.19 5.15 -0.24 0.23 1.04 -1.25 -1.08 113.70 115.35 1ig4 s SER 31 Ca 0.59 -1.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.13 1ig4 s SER 31 Cb -0.10 -1.79 -0.05 0.00 0.10 0.00 0.00 66.02 64.18 1ig4 s SER 31 CO 0.15 -0.45 0.17 -1.81 0.98 0.00 0.00 173.24 172.28 1ig4 s ASP 32 N 1.61 6.11 -0.38 7.02 1.01 0.16 -4.81 116.67 127.38 1ig4 s ASP 32 Ca 0.04 0.10 -0.15 0.00 0.71 0.00 0.00 52.55 53.26 1ig4 s ASP 32 Cb -0.22 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1ig4 s ASP 32 CO -0.03 0.05 0.31 -0.89 0.21 0.00 0.00 175.17 174.81 1ig4 s THR 33 N 1.15 5.24 0.09 -1.27 2.01 -1.26 0.43 115.64 122.02 1ig4 s THR 33 Ca 0.08 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1ig4 s THR 33 Cb -0.14 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1ig4 s THR 33 CO 0.05 -0.20 0.22 -0.31 -0.69 0.00 0.00 174.62 173.70 1ig4 s TYR 34 N 1.79 3.48 0.03 4.92 1.51 -0.15 -4.80 117.35 124.13 1ig4 s TYR 34 Ca 0.07 0.19 -0.00 0.00 -1.01 0.00 0.00 57.07 56.32 1ig4 s TYR 34 Cb -0.18 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1ig4 s TYR 34 CO 0.11 0.56 -0.03 0.71 -1.11 0.00 0.00 175.55 175.79 1ig4 s TYR 35 N -1.58 0.36 0.11 2.71 1.51 -0.93 0.03 117.35 119.56 1ig4 s TYR 35 Ca 0.34 -0.74 0.08 0.00 -1.01 0.00 0.00 57.07 55.75 1ig4 s TYR 35 Cb -0.12 -0.27 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 1ig4 s TYR 35 CO 0.28 -0.27 -0.16 -1.14 -1.11 0.00 0.00 175.55 173.15 1ig4 s GLN 36 N -2.44 1.88 1.04 -0.62 0.74 -0.58 -1.52 119.66 118.16 1ig4 s GLN 36 Ca -0.07 -1.13 -0.16 0.00 0.05 0.00 0.00 55.36 54.05 1ig4 s GLN 36 Cb -0.03 -2.17 0.25 0.00 1.10 0.00 0.00 33.01 32.16 1ig4 s GLN 36 CO -0.05 0.49 0.56 0.43 -0.55 0.00 0.00 175.29 176.17 1ig4 n SER 37 N 0.78 -3.34 -0.31 6.67 7.64 0.25 -2.42 113.62 122.89 1ig4 n SER 37 Ca -0.15 -0.56 0.13 0.00 1.01 0.00 0.00 58.87 59.30 1ig4 n SER 37 Cb 0.53 -0.73 0.59 0.00 -1.01 0.00 0.00 64.21 63.58 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 -3.43 1.42 -0.22 1.43 -0.04 -1.26 -3.82 135.00 129.08 1ig4 n PRO 38 Ca 0.09 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 1ig4 n PRO 38 Cb 0.39 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.22 0.00 0.00 0.52 5.66 -1.26 -4.31 114.28 114.67 1ig4 n THR 39 Ca 0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 1ig4 n THR 39 Cb 0.24 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 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 0.57 0.00 1.09 0.00 -1.26 -5.17 105.19 100.42 1ig4 n GLY 40 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -4.93 116.55 109.26 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 -0.60 -1.92 0.00 0.00 177.20 174.68 1ig4 s ARG 42 N 0.00 4.78 0.02 -0.67 6.06 -1.26 -0.58 118.95 127.30 1ig4 s ARG 42 Ca 0.00 1.49 0.02 0.00 -2.50 0.00 0.00 55.73 54.74 1ig4 s ARG 42 Cb 0.00 -3.31 -0.02 0.00 0.06 0.00 0.00 34.95 31.68 1ig4 s ARG 42 CO 0.00 0.38 -0.07 0.42 -2.50 0.00 0.00 175.30 173.53 1ig4 s ILE 43 N -0.70 0.48 0.00 4.11 1.01 -0.57 -4.87 121.20 120.65 1ig4 s ILE 43 Ca 0.44 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1ig4 s ILE 43 Cb -0.25 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.72 1ig4 s ILE 43 CO 0.31 -0.20 0.29 0.54 0.00 0.00 0.00 174.94 175.88 1ig4 n ARG 44 N 2.01 -0.13 -0.62 2.79 1.74 -1.26 -2.19 116.66 119.00 1ig4 n ARG 44 Ca -0.19 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.57 1ig4 n ARG 44 Cb 0.56 -0.70 0.00 0.00 -1.02 0.00 0.00 32.46 31.30 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 -0.03 0.00 -0.03 0.55 7.64 -1.26 -4.81 113.62 115.68 1ig4 n SER 45 Ca 0.00 -0.59 -0.15 0.00 1.01 0.00 0.00 58.87 59.14 1ig4 n SER 45 Cb 0.19 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.21 -0.21 1.43 3.64 -1.97 -2.72 116.57 116.94 1ig4 h LYS 46 Ca 0.00 -0.21 0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1ig4 h LYS 46 Cb 0.00 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 1ig4 h LYS 46 CO 0.00 0.91 -0.18 0.28 -2.27 0.00 0.00 179.45 178.19 1ig4 h VAL 47 N -0.42 0.50 -1.00 2.00 2.07 -1.97 0.64 116.25 118.07 1ig4 h VAL 47 Ca -0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.66 1ig4 h VAL 47 Cb 1.00 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 31.17 1ig4 h VAL 47 CO 0.05 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 177.93 1ig4 h GLU 48 N -0.20 0.80 -0.70 1.57 4.39 -1.96 0.56 114.58 119.05 1ig4 h GLU 48 Ca 0.12 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1ig4 h GLU 48 Cb 0.38 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1ig4 h GLU 48 CO -0.32 0.53 0.17 1.25 -1.16 0.00 0.00 179.01 179.47 1ig4 h LEU 49 N 0.83 1.06 -1.72 1.33 5.85 -0.28 -1.55 115.31 120.82 1ig4 h LEU 49 Ca 0.56 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 1ig4 h LEU 49 Cb 0.79 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1ig4 h LEU 49 CO -0.35 1.02 -0.09 0.74 -0.34 0.00 0.00 178.44 179.41 1ig4 h THR 50 N 1.05 0.32 0.51 1.05 2.02 0.51 -2.79 112.91 115.58 1ig4 h THR 50 Ca 0.22 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1ig4 h THR 50 Cb 0.37 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1ig4 h THR 50 CO 0.00 0.09 -0.24 0.03 0.37 0.00 0.00 175.52 175.77 1ig4 h ARG 51 N 0.00 -0.66 -0.22 6.66 3.08 0.38 0.22 114.38 123.85 1ig4 h ARG 51 Ca -0.00 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.16 1ig4 h ARG 51 Cb 0.45 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1ig4 h ARG 51 CO 0.01 -0.38 0.16 -0.92 -1.07 0.00 0.00 179.97 177.77 1ig4 h TYR 52 N -1.10 0.00 0.00 3.04 5.03 -1.50 0.79 116.97 123.23 1ig4 h TYR 52 Ca -0.07 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.24 1ig4 h TYR 52 Cb 0.58 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.86 1ig4 h TYR 52 CO 0.01 0.00 -0.40 1.28 -1.32 0.00 0.00 178.16 177.73 1ig4 n LEU 53 N -4.46 0.72 0.00 2.82 4.77 -1.06 -5.04 117.00 114.75 1ig4 n LEU 53 Ca 0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1ig4 n LEU 53 Cb 0.30 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ig4 n LEU 53 CO 0.35 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1ig4 n GLY 54 N 1.34 2.69 0.15 -0.72 0.00 0.75 -4.40 105.19 105.00 1ig4 n GLY 54 Ca 0.04 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.37 1ig4 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ig4 h PRO 55 N 0.00 0.00 0.00 1.61 0.13 -1.81 -2.62 132.00 129.31 1ig4 h PRO 55 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ig4 h PRO 55 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ig4 h PRO 55 CO 0.00 0.00 -0.81 0.00 -0.23 0.00 0.00 178.00 176.96 1ig4 h ALA 56 N 2.25 0.53 -2.54 -0.56 0.00 -1.87 -3.45 119.26 113.62 1ig4 h ALA 56 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1ig4 h ALA 56 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 1ig4 h ALA 56 CO 0.00 0.00 0.11 0.00 0.00 0.00 0.00 179.25 179.36 1ig4 s ASP 58 N 1.38 5.69 -0.35 0.00 1.11 -1.26 -4.77 116.67 118.46 1ig4 s ASP 58 Ca 0.26 -0.19 0.14 0.00 0.18 0.00 0.00 52.55 52.94 1ig4 s ASP 58 Cb -0.16 -1.48 0.40 0.00 1.07 0.00 0.00 42.92 42.75 1ig4 s ASP 58 CO 0.09 -0.07 0.84 0.18 1.18 0.00 0.00 175.17 177.39 1ig4 n LEU 59 N -1.25 1.23 0.06 1.23 4.77 -1.26 -4.90 117.00 116.89 1ig4 n LEU 59 Ca -0.08 -4.46 0.09 0.00 -0.03 0.00 0.00 56.01 51.53 1ig4 n LEU 59 Cb 0.58 0.55 0.37 0.00 -2.33 0.00 0.00 43.42 42.59 1ig4 n LEU 59 CO 0.43 1.97 0.77 0.41 -1.33 0.00 0.00 177.39 179.64 1ig4 n THR 60 N 0.11 1.01 -0.00 -5.08 -1.04 -1.26 -2.41 114.28 105.60 1ig4 n THR 60 Ca 0.18 0.28 0.04 0.00 -2.04 0.00 0.00 64.05 62.52 1ig4 n THR 60 Cb 0.72 -1.14 -0.12 0.00 -1.82 0.00 0.00 70.33 67.98 1ig4 n THR 60 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ig4 n LEU 61 N -1.82 0.33 -4.74 -4.42 4.77 -1.26 -4.94 117.00 104.91 1ig4 n LEU 61 Ca 0.02 0.14 -0.39 0.00 -0.03 0.00 0.00 56.01 55.75 1ig4 n LEU 61 Cb 0.17 0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1ig4 n LEU 61 CO 0.15 0.12 0.98 0.33 -1.33 0.00 0.00 177.39 177.64 1ig4 n PHE 62 N -2.58 2.35 -3.60 -1.77 7.35 -1.01 -3.49 117.46 114.71 1ig4 n PHE 62 Ca -0.11 0.44 -0.40 0.00 -0.76 0.00 0.00 57.45 56.62 1ig4 n PHE 62 Cb 0.76 -2.39 -0.11 0.00 0.35 0.00 0.00 39.48 38.09 1ig4 n PHE 62 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1ig4 s ASP 63 N -0.73 5.71 0.61 -2.13 1.11 -0.57 -4.92 116.67 115.76 1ig4 s ASP 63 Ca 0.67 -0.98 0.31 0.00 0.18 0.00 0.00 52.55 52.73 1ig4 s ASP 63 Cb -0.44 -2.02 1.73 0.00 1.07 0.00 0.00 42.92 43.27 1ig4 s ASP 63 CO 0.53 -0.37 2.08 0.15 1.18 0.00 0.00 175.17 178.74 1ig4 h PHE 64 N 8.43 0.00 0.00 4.23 3.04 -1.93 0.29 116.94 131.00 1ig4 h PHE 64 Ca -0.26 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.69 1ig4 h PHE 64 Cb 1.11 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.62 1ig4 h PHE 64 CO 0.58 0.00 -0.44 1.17 -2.02 0.00 0.00 178.31 177.60 1ig4 n LYS 65 N -3.54 0.38 0.09 1.11 3.00 -1.26 -4.60 118.16 113.34 1ig4 n LYS 65 Ca 0.01 0.48 -0.13 0.00 -0.00 0.00 0.00 58.31 58.67 1ig4 n LYS 65 Cb 0.34 -1.54 -0.08 0.00 0.00 0.00 0.00 35.03 33.74 1ig4 n LYS 65 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1ig4 h GLN 66 N -0.85 -0.21 -0.08 1.64 4.20 -1.96 -3.48 115.11 114.37 1ig4 h GLN 66 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1ig4 h GLN 66 Cb 0.44 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1ig4 h GLN 66 CO 0.00 0.11 0.00 0.41 -0.67 0.00 0.00 178.83 178.68 1ig4 n GLY 67 N -0.31 0.62 3.17 3.46 0.00 0.10 -5.01 105.19 107.23 1ig4 n GLY 67 Ca -0.09 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.33 0.07 -1.14 -0.61 -4.36 -1.26 -2.68 121.20 109.89 1ig4 s ILE 68 Ca 0.00 -0.61 -0.09 0.00 -0.26 0.00 0.00 60.65 59.69 1ig4 s ILE 68 Cb 0.00 -0.56 0.25 0.00 1.25 0.00 0.00 42.46 43.40 1ig4 s ILE 68 CO 0.00 -0.34 1.31 0.18 0.24 0.00 0.00 174.94 176.33 1ig4 n LEU 69 N 1.29 5.71 -4.52 0.37 4.77 -1.25 -1.51 117.00 121.86 1ig4 n LEU 69 Ca -0.22 -4.92 -0.25 0.00 -0.03 0.00 0.00 56.01 50.59 1ig4 n LEU 69 Cb 0.56 -1.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.10 1ig4 n LEU 69 CO 0.21 1.28 1.41 0.00 -1.33 0.00 0.00 177.39 178.97 1ig4 h TYR 71 N 10.18 -0.33 0.00 0.00 0.05 -1.92 -3.09 116.97 121.86 1ig4 h TYR 71 Ca 0.17 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1ig4 h TYR 71 Cb 0.94 0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.79 1ig4 h TYR 71 CO 1.15 0.04 0.00 -0.35 -1.05 0.00 0.00 178.16 177.95 1ig4 n PRO 72 N -5.05 0.38 -1.63 4.88 -0.04 -1.26 -4.82 135.00 127.46 1ig4 n PRO 72 Ca -0.09 0.07 -0.54 0.00 -0.04 0.00 0.00 63.50 62.91 1ig4 n PRO 72 Cb 0.26 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.16 1ig4 n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ig4 n ALA 73 N -1.16 0.39 -1.54 0.55 0.00 -1.17 -4.91 120.51 112.67 1ig4 n ALA 73 Ca 0.10 0.24 -0.32 0.00 0.00 0.00 0.00 53.44 53.47 1ig4 n ALA 73 Cb 0.10 -2.37 0.04 0.00 0.00 0.00 0.00 19.45 17.22 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 4.42 2.94 0.00 0.00 0.04 -1.26 -5.12 135.00 136.02 1ig4 s PRO 74 Ca 1.00 1.19 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1ig4 s PRO 74 Cb -0.94 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1ig4 s PRO 74 CO 0.58 -1.12 0.00 1.63 0.04 0.00 0.00 177.00 178.14