#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 3.15 0.00 -5.12 0.00 -1.26 -4.95 121.76 113.59 1ig4 s ALA 2 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1ig4 s ALA 2 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1ig4 s ALA 2 CO 0.00 -2.69 0.46 0.39 0.00 0.00 0.00 175.76 173.92 1ig4 n GLU 3 N 7.52 0.00 -3.27 0.00 -0.58 -1.26 -4.96 120.64 118.09 1ig4 n GLU 3 Ca -0.04 0.04 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1ig4 n GLU 3 Cb 0.45 -0.97 -0.03 0.00 -0.57 0.00 0.00 31.44 30.32 1ig4 n GLU 3 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ig4 s ASP 4 N -1.88 -0.43 -0.32 1.62 2.15 -1.26 -5.12 116.67 111.42 1ig4 s ASP 4 Ca 0.00 0.47 -0.10 0.00 0.43 0.00 0.00 52.55 53.36 1ig4 s ASP 4 Cb 0.00 1.45 -0.00 0.00 -0.30 0.00 0.00 42.92 44.06 1ig4 s ASP 4 CO 0.00 -0.08 0.16 0.26 -0.17 0.00 0.00 175.17 175.34 1ig4 s TRP 5 N 2.53 3.19 0.26 -5.34 0.52 -1.26 -4.23 118.94 114.60 1ig4 s TRP 5 Ca -0.01 -0.60 0.06 0.00 0.02 0.00 0.00 56.10 55.57 1ig4 s TRP 5 Cb -0.06 -2.37 -0.03 0.00 -1.15 0.00 0.00 33.47 29.86 1ig4 s TRP 5 CO -0.15 -0.47 0.30 -0.51 0.02 0.00 0.00 176.95 176.14 1ig4 s LEU 6 N 1.61 4.06 1.26 2.99 1.43 0.74 -4.85 118.68 125.91 1ig4 s LEU 6 Ca 0.04 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 52.86 1ig4 s LEU 6 Cb -0.17 -2.62 0.31 0.00 0.03 0.00 0.00 46.19 43.73 1ig4 s LEU 6 CO 0.06 -0.09 1.03 -1.81 0.23 0.00 0.00 176.35 175.77 1ig4 s ASP 7 N -3.94 0.36 -0.40 2.29 1.01 -1.26 0.66 116.67 115.40 1ig4 s ASP 7 Ca 0.35 0.92 0.04 0.00 0.71 0.00 0.00 52.55 54.57 1ig4 s ASP 7 Cb -0.08 -1.35 0.16 0.00 1.01 0.00 0.00 42.92 42.66 1ig4 s ASP 7 CO 0.27 -4.50 0.43 0.00 0.21 0.00 0.00 175.17 171.58 1ig4 n PRO 9 N 3.86 0.28 0.10 0.00 -0.04 -1.26 -3.96 135.00 133.97 1ig4 n PRO 9 Ca 0.15 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.61 1ig4 n PRO 9 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 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 2.92 -0.88 0.01 0.55 0.00 -1.88 -3.33 119.26 116.66 1ig4 h ALA 10 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ig4 h ALA 10 Cb 0.18 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ig4 h ALA 10 CO 0.00 -0.94 -0.01 -0.07 0.00 0.00 0.00 179.25 178.24 1ig4 h LEU 11 N -0.51 -0.01 0.00 0.00 4.07 -1.88 -3.37 115.31 113.62 1ig4 h LEU 11 Ca -0.01 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1ig4 h LEU 11 Cb 0.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1ig4 h LEU 11 CO -0.14 0.59 0.00 0.61 -1.08 0.00 0.00 178.44 178.43 1ig4 n GLY 12 N 1.69 -1.27 3.55 0.83 0.00 -1.25 -5.08 105.19 103.66 1ig4 n GLY 12 Ca -0.02 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.51 2.91 0.00 1.61 0.04 -1.26 -3.42 135.00 134.37 1ig4 s PRO 13 Ca 0.00 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1ig4 s PRO 13 Cb 0.00 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 30.04 1ig4 s PRO 13 CO 0.00 -2.56 0.00 0.41 0.04 0.00 0.00 177.00 174.89 1ig4 n GLY 14 N 5.85 0.61 3.82 0.56 0.00 -1.26 -4.92 105.19 109.84 1ig4 n GLY 14 Ca 0.18 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 3.11 0.03 1.61 0.52 -1.21 -3.86 118.94 119.14 1ig4 s TRP 15 Ca 0.00 1.43 0.01 0.00 0.02 0.00 0.00 56.10 57.56 1ig4 s TRP 15 Cb 0.00 -2.90 -0.02 0.00 -1.15 0.00 0.00 33.47 29.40 1ig4 s TRP 15 CO 0.00 -1.18 -0.04 0.15 0.02 0.00 0.00 176.95 175.90 1ig4 s LYS 16 N -4.85 0.37 0.06 4.98 -0.14 -1.00 -2.94 119.74 116.21 1ig4 s LYS 16 Ca 0.59 -0.64 0.09 0.00 -1.36 0.00 0.00 55.97 54.65 1ig4 s LYS 16 Cb -0.14 -0.01 -0.03 0.00 -1.68 0.00 0.00 37.83 35.97 1ig4 s LYS 16 CO 0.51 -0.02 -0.26 0.50 -0.76 0.00 0.00 175.35 175.32 1ig4 s ARG 17 N -1.47 1.71 -0.01 1.68 3.52 0.21 -1.51 118.95 123.08 1ig4 s ARG 17 Ca -0.14 -1.13 -0.00 0.00 -0.13 0.00 0.00 55.73 54.33 1ig4 s ARG 17 Cb -0.10 -1.92 0.02 0.00 -1.56 0.00 0.00 34.95 31.39 1ig4 s ARG 17 CO -0.01 0.49 0.02 0.50 -0.81 0.00 0.00 175.30 175.50 1ig4 s ARG 18 N -1.34 -0.02 -0.25 5.12 6.06 -0.20 -0.19 118.95 128.13 1ig4 s ARG 18 Ca 0.12 0.10 -0.11 0.00 -2.50 0.00 0.00 55.73 53.34 1ig4 s ARG 18 Cb -0.10 -0.13 -0.05 0.00 0.06 0.00 0.00 34.95 34.74 1ig4 s ARG 18 CO 0.03 -0.09 0.19 -2.00 -2.50 0.00 0.00 175.30 170.93 1ig4 s GLU 19 N 0.56 4.03 -0.53 5.12 2.12 -1.26 -0.96 118.70 127.78 1ig4 s GLU 19 Ca -0.05 -0.25 -0.07 0.00 0.36 0.00 0.00 54.97 54.96 1ig4 s GLU 19 Cb -0.07 -3.59 0.14 0.00 0.26 0.00 0.00 34.13 30.87 1ig4 s GLU 19 CO -0.02 -0.05 0.38 0.08 -0.54 0.00 0.00 175.26 175.11 1ig4 s VAL 20 N 1.39 4.06 -0.18 3.70 1.01 0.15 -4.88 120.40 125.65 1ig4 s VAL 20 Ca 0.08 -2.17 -0.02 0.00 0.00 0.00 0.00 61.98 59.87 1ig4 s VAL 20 Cb -0.15 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.61 1ig4 s VAL 20 CO 0.07 -0.81 2.37 0.33 0.00 0.00 0.00 175.10 177.07 1ig4 n PHE 21 N 4.43 0.78 -1.03 5.22 7.35 -1.26 0.22 117.46 133.17 1ig4 n PHE 21 Ca -0.01 -1.56 0.10 0.00 -0.76 0.00 0.00 57.45 55.22 1ig4 n PHE 21 Cb 0.41 -0.96 -0.05 0.00 0.35 0.00 0.00 39.48 39.23 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 1.16 -1.80 0.00 -4.13 5.12 -0.39 -4.26 116.66 112.35 1ig4 n ARG 22 Ca 0.24 1.42 0.00 0.00 -1.93 0.00 0.00 57.85 57.58 1ig4 n ARG 22 Cb 0.60 -2.36 0.00 0.00 -1.16 0.00 0.00 32.46 29.54 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 -3.52 1.04 -3.50 5.56 3.00 -1.26 -4.74 118.16 114.74 1ig4 n LYS 23 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1ig4 n LYS 23 Cb 0.49 -0.70 0.00 0.00 0.00 0.00 0.00 35.03 34.82 1ig4 n LYS 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ig4 n SER 24 N -1.40 0.00 0.00 3.14 2.88 -1.26 -4.97 113.62 112.01 1ig4 n SER 24 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ig4 n SER 24 Cb 0.20 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1ig4 n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ig4 n GLY 25 N -0.17 1.00 0.35 0.46 0.00 -1.26 -4.13 105.19 101.44 1ig4 n GLY 25 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.57 1.61 1.58 4.61 0.00 -1.26 -4.81 120.51 122.81 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 0.77 0.00 0.00 0.00 0.00 19.45 20.22 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 -1.68 0.03 -1.51 0.00 -2.24 -1.26 -4.89 114.28 102.73 1ig4 n THR 27 Ca 0.00 0.01 -0.51 0.00 -2.27 0.00 0.00 64.05 61.28 1ig4 n THR 27 Cb 0.00 -0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 67.59 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 1.85 1.28 3.87 0.00 0.00 -1.26 -4.99 105.19 105.93 1ig4 n GLY 29 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.57 3.85 -0.32 1.61 0.52 -1.02 -4.90 118.95 118.12 1ig4 s ARG 30 Ca 0.00 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.60 1ig4 s ARG 30 Cb 0.00 -2.58 0.07 0.00 0.52 0.00 0.00 34.95 32.97 1ig4 s ARG 30 CO 0.00 0.26 0.02 -1.54 0.02 0.00 0.00 175.30 174.06 1ig4 s SER 31 N -2.39 4.82 -0.16 0.23 1.04 -1.25 -1.26 113.70 114.73 1ig4 s SER 31 Ca 0.49 -1.64 -0.03 0.00 0.48 0.00 0.00 55.95 55.25 1ig4 s SER 31 Cb -0.11 -1.67 -0.02 0.00 0.10 0.00 0.00 66.02 64.31 1ig4 s SER 31 CO 0.21 -0.32 -0.05 -1.81 0.98 0.00 0.00 173.24 172.25 1ig4 s ASP 32 N 1.24 4.64 -0.26 7.02 1.01 0.13 -4.86 116.67 125.59 1ig4 s ASP 32 Ca -0.00 -0.19 -0.11 0.00 0.71 0.00 0.00 52.55 52.96 1ig4 s ASP 32 Cb -0.20 -1.76 -0.05 0.00 1.01 0.00 0.00 42.92 41.92 1ig4 s ASP 32 CO -0.04 0.14 0.19 -0.89 0.21 0.00 0.00 175.17 174.78 1ig4 s THR 33 N 0.53 5.32 0.23 -1.27 2.01 -1.26 0.33 115.64 121.53 1ig4 s THR 33 Ca -0.04 0.22 0.06 0.00 0.31 0.00 0.00 61.69 62.24 1ig4 s THR 33 Cb -0.15 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1ig4 s THR 33 CO 0.03 0.29 0.20 -0.31 -0.69 0.00 0.00 174.62 174.14 1ig4 s TYR 34 N 1.44 3.16 0.00 4.92 1.51 -0.13 -4.77 117.35 123.48 1ig4 s TYR 34 Ca 0.08 -0.08 -0.00 0.00 -1.01 0.00 0.00 57.07 56.06 1ig4 s TYR 34 Cb -0.15 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1ig4 s TYR 34 CO 0.08 0.51 -0.00 0.71 -1.11 0.00 0.00 175.55 175.74 1ig4 s TYR 35 N -2.03 0.09 -0.02 2.71 1.51 -1.00 -1.03 117.35 117.57 1ig4 s TYR 35 Ca 0.33 -0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 56.17 1ig4 s TYR 35 Cb -0.08 -0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.66 1ig4 s TYR 35 CO 0.25 -0.08 0.19 -1.14 -1.11 0.00 0.00 175.55 173.66 1ig4 s GLN 36 N -0.55 3.45 0.91 -0.62 0.74 -0.57 -0.81 119.66 122.21 1ig4 s GLN 36 Ca -0.06 -0.28 -0.13 0.00 0.05 0.00 0.00 55.36 54.94 1ig4 s GLN 36 Cb -0.04 -3.10 0.20 0.00 1.10 0.00 0.00 33.01 31.17 1ig4 s GLN 36 CO -0.00 0.68 0.46 0.43 -0.55 0.00 0.00 175.29 176.31 1ig4 n SER 37 N 1.05 -3.03 -0.01 6.67 7.64 0.23 -2.37 113.62 123.80 1ig4 n SER 37 Ca -0.12 -0.46 0.14 0.00 1.01 0.00 0.00 58.87 59.44 1ig4 n SER 37 Cb 0.53 -0.66 0.59 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 -2.56 0.14 0.00 1.43 -0.04 -1.25 -3.31 135.00 129.41 1ig4 n PRO 38 Ca 0.07 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1ig4 n PRO 38 Cb 0.32 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.41 0.00 0.00 0.52 5.66 -1.26 -4.18 114.28 113.61 1ig4 n THR 39 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1ig4 n THR 39 Cb 0.32 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 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 -1.56 0.00 1.09 0.00 -1.26 -5.16 105.19 98.30 1ig4 n GLY 40 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -4.93 116.55 109.27 1ig4 n ASP 41 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 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 4.73 0.19 -0.67 6.06 -1.26 0.74 118.95 128.74 1ig4 s ARG 42 Ca 0.00 1.49 0.06 0.00 -2.50 0.00 0.00 55.73 54.79 1ig4 s ARG 42 Cb 0.00 -3.34 -0.05 0.00 0.06 0.00 0.00 34.95 31.63 1ig4 s ARG 42 CO 0.00 0.29 -0.12 0.42 -2.50 0.00 0.00 175.30 173.39 1ig4 s ILE 43 N -0.38 1.51 0.00 4.11 1.09 0.01 -4.88 121.20 122.65 1ig4 s ILE 43 Ca 0.45 -2.15 0.00 0.00 -1.10 0.00 0.00 60.65 57.85 1ig4 s ILE 43 Cb -0.25 -1.99 0.00 0.00 -1.06 0.00 0.00 42.46 39.16 1ig4 s ILE 43 CO 0.31 -0.63 0.18 0.54 -0.10 0.00 0.00 174.94 175.23 1ig4 n ARG 44 N -0.32 0.00 -1.10 2.79 1.74 -1.26 -2.39 116.66 116.12 1ig4 n ARG 44 Ca -0.09 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 1ig4 n ARG 44 Cb 0.61 -0.48 0.00 0.00 -1.02 0.00 0.00 32.46 31.56 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 0.00 0.00 0.02 0.55 7.64 -1.26 -4.83 113.62 115.74 1ig4 n SER 45 Ca 0.00 -0.94 -0.18 0.00 1.01 0.00 0.00 58.87 58.76 1ig4 n SER 45 Cb 0.34 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.22 -0.55 1.43 3.64 -1.98 -2.95 116.57 116.37 1ig4 h LYS 46 Ca 0.00 -0.38 0.07 0.00 -1.27 0.00 0.00 60.65 59.08 1ig4 h LYS 46 Cb 0.00 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 1ig4 h LYS 46 CO 0.00 1.18 0.22 0.28 -2.27 0.00 0.00 179.45 178.86 1ig4 h VAL 47 N -0.53 0.84 -0.88 2.00 2.07 -1.97 0.56 116.25 118.32 1ig4 h VAL 47 Ca -0.10 -0.14 0.14 0.00 0.82 0.00 0.00 66.70 67.41 1ig4 h VAL 47 Cb 1.47 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 1ig4 h VAL 47 CO 0.11 0.08 0.57 -0.08 0.02 0.00 0.00 177.57 178.27 1ig4 h GLU 48 N 0.42 0.66 -0.09 1.57 4.81 -1.96 0.15 114.58 120.14 1ig4 h GLU 48 Ca 0.27 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1ig4 h GLU 48 Cb 0.28 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1ig4 h GLU 48 CO -0.25 0.44 -0.08 1.25 -0.73 0.00 0.00 179.01 179.64 1ig4 h LEU 49 N 0.68 0.23 -2.65 1.64 5.85 -0.16 -2.66 115.31 118.24 1ig4 h LEU 49 Ca 0.44 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1ig4 h LEU 49 Cb 0.72 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1ig4 h LEU 49 CO -0.20 0.66 0.08 0.74 -0.34 0.00 0.00 178.44 179.37 1ig4 h THR 50 N -0.19 0.15 0.15 1.05 2.02 0.20 -2.19 112.91 114.11 1ig4 h THR 50 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1ig4 h THR 50 Cb 0.59 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1ig4 h THR 50 CO 0.02 0.00 -0.07 0.03 0.37 0.00 0.00 175.52 175.87 1ig4 h ARG 51 N 0.00 -0.20 0.00 6.66 3.08 -0.45 -2.30 114.38 121.17 1ig4 h ARG 51 Ca 0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ig4 h ARG 51 Cb 0.17 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1ig4 h ARG 51 CO -0.00 0.20 0.00 0.98 -1.07 0.00 0.00 179.97 180.08 1ig4 n TYR 52 N -4.90 0.47 0.79 3.04 9.36 -1.01 -1.86 117.16 123.05 1ig4 n TYR 52 Ca -0.07 0.20 0.09 0.00 3.32 0.00 0.00 57.90 61.45 1ig4 n TYR 52 Cb 0.24 -0.83 0.06 0.00 -0.63 0.00 0.00 39.34 38.18 1ig4 n TYR 52 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1ig4 n LEU 53 N -1.94 2.36 0.00 2.98 4.77 -0.86 -5.08 117.00 119.23 1ig4 n LEU 53 Ca 0.01 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1ig4 n LEU 53 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1ig4 n LEU 53 CO 0.13 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1ig4 n GLY 54 N 1.11 2.44 0.22 -0.72 0.00 -0.78 -4.39 105.19 103.08 1ig4 n GLY 54 Ca 0.10 -1.81 0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.71 1.61 0.13 -1.83 -2.68 132.00 128.52 1ig4 h PRO 55 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 1ig4 h PRO 55 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1ig4 h PRO 55 CO 0.00 0.23 0.11 0.00 -0.23 0.00 0.00 178.00 178.11 1ig4 n ALA 56 N -2.25 4.00 -3.02 -0.56 0.00 -1.26 -4.55 120.51 112.87 1ig4 n ALA 56 Ca -0.00 -1.83 -0.30 0.00 0.00 0.00 0.00 53.44 51.31 1ig4 n ALA 56 Cb 0.41 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 1ig4 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ig4 n ASP 58 N 0.13 0.24 -3.20 0.00 8.00 -1.26 -4.69 116.55 115.77 1ig4 n ASP 58 Ca 0.33 0.40 -0.23 0.00 0.71 0.00 0.00 54.79 55.99 1ig4 n ASP 58 Cb 0.37 -1.47 -0.06 0.00 -0.02 0.00 0.00 41.12 39.94 1ig4 n ASP 58 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ig4 n LEU 59 N -4.29 0.60 0.00 0.64 4.77 -1.26 -4.91 117.00 112.54 1ig4 n LEU 59 Ca 0.12 -4.82 0.11 0.00 -0.03 0.00 0.00 56.01 51.39 1ig4 n LEU 59 Cb 0.52 0.56 0.53 0.00 -2.33 0.00 0.00 43.42 42.70 1ig4 n LEU 59 CO 0.49 2.12 0.88 0.41 -1.33 0.00 0.00 177.39 179.97 1ig4 n THR 60 N 1.10 0.34 0.07 -5.08 -1.04 -1.26 -3.01 114.28 105.40 1ig4 n THR 60 Ca 0.23 0.09 0.11 0.00 -2.04 0.00 0.00 64.05 62.43 1ig4 n THR 60 Cb 0.55 -0.68 -0.15 0.00 -1.82 0.00 0.00 70.33 68.22 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 -1.44 0.12 -4.71 -4.42 4.77 -1.26 -4.92 117.00 105.14 1ig4 n LEU 61 Ca 0.07 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 1ig4 n LEU 61 Cb 0.25 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1ig4 n LEU 61 CO 0.21 0.00 0.90 0.12 -1.33 0.00 0.00 177.39 177.29 1ig4 s PHE 62 N -3.47 3.42 -0.22 -1.77 5.36 -1.16 -3.84 117.98 116.29 1ig4 s PHE 62 Ca -0.06 1.28 -0.18 0.00 -0.96 0.00 0.00 56.93 57.01 1ig4 s PHE 62 Cb 0.14 -3.44 -0.03 0.00 -0.34 0.00 0.00 43.02 39.35 1ig4 s PHE 62 CO 0.90 -1.35 0.48 0.34 -1.46 0.00 0.00 175.22 174.13 1ig4 s ASP 63 N 1.08 6.48 0.07 6.13 -1.08 -0.89 -4.92 116.67 123.54 1ig4 s ASP 63 Ca 0.59 0.57 -0.36 0.00 -0.52 0.00 0.00 52.55 52.83 1ig4 s ASP 63 Cb -0.30 -2.27 -0.20 0.00 -1.46 0.00 0.00 42.92 38.70 1ig4 s ASP 63 CO 0.29 -0.20 1.58 0.15 0.52 0.00 0.00 175.17 177.52 1ig4 h PHE 64 N 7.67 -1.18 0.66 -5.34 3.57 -1.94 1.06 116.94 121.45 1ig4 h PHE 64 Ca -0.32 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.13 1ig4 h PHE 64 Cb 1.15 0.40 -0.00 0.00 2.79 0.00 0.00 35.95 40.29 1ig4 h PHE 64 CO 0.72 -0.70 -0.41 -0.22 -2.23 0.00 0.00 178.31 175.47 1ig4 h LYS 65 N -1.18 -0.97 0.42 1.11 1.63 -1.94 -3.26 116.57 112.38 1ig4 h LYS 65 Ca -0.11 0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1ig4 h LYS 65 Cb 0.93 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1ig4 h LYS 65 CO 0.15 -0.65 -0.20 1.96 -3.45 0.00 0.00 179.45 177.26 1ig4 h GLN 66 N -1.01 -0.55 -0.96 1.90 4.20 -1.98 -3.49 115.11 113.22 1ig4 h GLN 66 Ca -0.08 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1ig4 h GLN 66 Cb 0.82 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1ig4 h GLN 66 CO 0.08 -0.24 0.00 0.41 -0.67 0.00 0.00 178.83 178.41 1ig4 n GLY 67 N -0.49 0.51 3.21 3.46 0.00 0.37 -5.01 105.19 107.24 1ig4 n GLY 67 Ca -0.10 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.97 0.12 -0.87 -0.61 -4.36 -1.25 -3.38 121.20 108.89 1ig4 s ILE 68 Ca 0.00 -1.00 -0.06 0.00 -0.26 0.00 0.00 60.65 59.32 1ig4 s ILE 68 Cb 0.00 -1.14 0.22 0.00 1.25 0.00 0.00 42.46 42.79 1ig4 s ILE 68 CO 0.00 -0.55 0.77 -0.76 0.24 0.00 0.00 174.94 174.64 1ig4 s LEU 69 N -2.51 5.91 0.16 0.37 1.43 -1.26 -2.10 118.68 120.68 1ig4 s LEU 69 Ca 0.00 -3.29 -0.19 0.00 -1.03 0.00 0.00 54.13 49.62 1ig4 s LEU 69 Cb 0.02 -2.02 0.07 0.00 0.03 0.00 0.00 46.19 44.29 1ig4 s LEU 69 CO -0.08 -0.33 1.65 0.00 0.23 0.00 0.00 176.35 177.82 1ig4 n TYR 71 N -5.35 -1.95 -0.31 0.00 9.36 -1.26 -4.97 117.16 112.67 1ig4 n TYR 71 Ca 0.01 0.62 0.00 0.00 3.32 0.00 0.00 57.90 61.85 1ig4 n TYR 71 Cb 0.26 -3.77 0.00 0.00 -0.63 0.00 0.00 39.34 35.20 1ig4 n TYR 71 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ig4 n PRO 72 N -4.10 0.10 -1.64 2.98 -0.04 -1.26 -4.95 135.00 126.10 1ig4 n PRO 72 Ca -0.16 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.93 1ig4 n PRO 72 Cb 0.62 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.14 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 -3.00 0.35 -1.03 0.55 0.00 -1.26 -4.99 120.51 111.13 1ig4 n ALA 73 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 1ig4 n ALA 73 Cb 0.00 -2.15 0.02 0.00 0.00 0.00 0.00 19.45 17.32 1ig4 n ALA 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ig4 n PRO 74 N -1.16 -0.82 0.00 0.00 -0.04 -1.26 -5.27 135.00 126.45 1ig4 n PRO 74 Ca 0.14 -0.15 0.15 0.00 -0.04 0.00 0.00 63.50 63.60 1ig4 n PRO 74 Cb 0.47 -0.12 0.90 0.00 -0.04 0.00 0.00 33.50 34.71 1ig4 n PRO 74 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63