#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tm4 s LYS 21 N nan 4.33 0.00 0.00 2.20 -1.26 -4.92 119.74 nan 1tm4 s LYS 21 Ca nan 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 nan 1tm4 s LYS 21 Cb nan -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 nan 1tm4 s LYS 21 CO nan -0.47 0.40 0.25 -0.36 0.00 0.00 175.35 nan 1tm4 n THR 22 N 4.34 0.00 -3.95 3.43 -2.24 -1.26 -4.97 114.28 109.63 1tm4 n THR 22 Ca 0.12 -0.40 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1tm4 n THR 22 Cb 0.44 1.19 -0.11 0.00 -2.10 0.00 0.00 70.33 69.75 1tm4 n THR 22 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1tm4 s GLU 23 N -0.00 0.35 -0.49 -0.78 2.02 -1.26 -1.04 118.70 117.50 1tm4 s GLU 23 Ca 0.00 -0.54 0.08 0.00 0.02 0.00 0.00 54.97 54.53 1tm4 s GLU 23 Cb 0.00 0.13 0.27 0.00 0.10 0.00 0.00 34.13 34.63 1tm4 s GLU 23 CO 0.00 -0.07 0.65 0.91 0.02 0.00 0.00 175.26 176.77 1tm4 n TRP 24 N 1.60 1.36 0.27 1.61 8.01 -0.26 -4.94 117.44 125.09 1tm4 n TRP 24 Ca -0.23 -3.82 0.13 0.00 -1.31 0.00 0.00 57.50 52.27 1tm4 n TRP 24 Cb 0.55 -0.44 0.78 0.00 -2.01 0.00 0.00 31.31 30.19 1tm4 n TRP 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1tm4 h PRO 25 N 3.89 0.00 0.00 -0.99 0.13 -1.94 -1.39 132.00 131.70 1tm4 h PRO 25 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1tm4 h PRO 25 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1tm4 h PRO 25 CO 0.62 0.08 0.00 -0.85 -0.23 0.00 0.00 178.00 177.62 1tm4 n GLU 26 N -3.74 0.11 0.02 0.86 0.00 -1.26 -2.59 120.64 114.03 1tm4 n GLU 26 Ca -0.02 0.39 0.12 0.00 0.00 0.00 0.00 57.16 57.65 1tm4 n GLU 26 Cb 0.19 -1.73 0.28 0.00 0.00 0.00 0.00 31.44 30.18 1tm4 n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1tm4 n LEU 27 N -1.94 0.49 -4.74 -1.84 4.77 -0.52 -4.82 117.00 108.40 1tm4 n LEU 27 Ca 0.02 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1tm4 n LEU 27 Cb 0.17 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1tm4 n LEU 27 CO 0.15 0.05 1.23 -0.69 -1.33 0.00 0.00 177.39 176.80 1tm4 s VAL 28 N -3.05 2.34 0.00 4.08 1.01 -1.07 -1.53 120.40 122.18 1tm4 s VAL 28 Ca 0.10 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1tm4 s VAL 28 Cb 0.16 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1tm4 s VAL 28 CO 0.68 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1tm4 n GLY 29 N 2.82 1.70 3.90 4.51 0.00 0.19 -4.97 105.19 113.34 1tm4 n GLY 29 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1tm4 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tm4 s LYS 30 N -0.31 2.73 0.67 1.61 -0.14 -0.58 -4.74 119.74 118.98 1tm4 s LYS 30 Ca 0.00 0.17 -0.16 0.00 -1.36 0.00 0.00 55.97 54.62 1tm4 s LYS 30 Cb 0.00 -2.13 0.01 0.00 -1.68 0.00 0.00 37.83 34.03 1tm4 s LYS 30 CO 0.00 -0.98 1.17 -1.54 -0.76 0.00 0.00 175.35 173.24 1tm4 s SER 31 N -4.37 4.76 0.44 2.83 1.04 -1.26 -0.36 113.70 116.78 1tm4 s SER 31 Ca 0.57 2.23 0.10 0.00 0.48 0.00 0.00 55.95 59.32 1tm4 s SER 31 Cb -0.11 -2.58 0.96 0.00 0.10 0.00 0.00 66.02 64.40 1tm4 s SER 31 CO 0.48 -1.87 2.08 1.62 0.98 0.00 0.00 173.24 176.53 1tm4 h VAL 32 N 0.10 1.08 -0.22 5.02 3.04 -1.57 -1.89 116.25 121.81 1tm4 h VAL 32 Ca -0.48 -0.17 -0.02 0.00 -1.01 0.00 0.00 66.70 65.02 1tm4 h VAL 32 Cb 1.28 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 1tm4 h VAL 32 CO 0.52 0.08 0.07 -0.33 -1.01 0.00 0.00 177.57 176.90 1tm4 h GLU 33 N 0.39 0.35 -0.48 4.17 3.07 -1.92 -1.07 114.58 119.10 1tm4 h GLU 33 Ca 0.11 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 1tm4 h GLU 33 Cb -0.03 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1tm4 h GLU 33 CO -0.02 0.45 0.02 1.49 -1.40 0.00 0.00 179.01 179.55 1tm4 h GLU 34 N 0.19 0.84 -0.58 2.33 4.81 -1.87 -2.12 114.58 118.17 1tm4 h GLU 34 Ca 0.07 -0.25 0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1tm4 h GLU 34 Cb 0.24 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 1tm4 h GLU 34 CO -0.00 0.87 0.26 0.00 -0.73 0.00 0.00 179.01 179.41 1tm4 h ALA 35 N 0.94 0.76 -0.58 2.92 0.00 -1.20 -0.58 119.26 121.51 1tm4 h ALA 35 Ca 0.14 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1tm4 h ALA 35 Cb 0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1tm4 h ALA 35 CO 0.02 -0.12 0.37 0.87 0.00 0.00 0.00 179.25 180.39 1tm4 h LYS 36 N 0.49 0.71 -0.29 0.00 1.57 -1.00 -0.48 116.57 117.57 1tm4 h LYS 36 Ca 0.28 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1tm4 h LYS 36 Cb 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1tm4 h LYS 36 CO -0.23 0.47 0.14 -0.22 -0.57 0.00 0.00 179.45 179.04 1tm4 h LYS 37 N 0.74 0.42 -0.15 3.15 3.64 -0.68 -1.42 116.57 122.27 1tm4 h LYS 37 Ca 0.23 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1tm4 h LYS 37 Cb -0.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1tm4 h LYS 37 CO -0.08 0.41 0.01 0.28 -2.27 0.00 0.00 179.45 177.80 1tm4 h VAL 38 N 0.34 1.24 -0.79 2.00 2.07 -0.96 -2.18 116.25 117.96 1tm4 h VAL 38 Ca 0.10 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1tm4 h VAL 38 Cb 0.13 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 1tm4 h VAL 38 CO -0.01 0.23 0.51 0.40 0.02 0.00 0.00 177.57 178.72 1tm4 h ILE 39 N 0.02 1.13 0.00 4.57 2.04 -1.00 -1.97 117.51 122.30 1tm4 h ILE 39 Ca 0.04 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1tm4 h ILE 39 Cb 0.35 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1tm4 h ILE 39 CO 0.01 0.18 -0.14 -0.07 0.00 0.00 0.00 178.15 178.13 1tm4 h LEU 40 N 1.00 0.00 -0.50 1.44 3.38 -1.15 0.24 115.31 119.72 1tm4 h LEU 40 Ca 0.31 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.14 1tm4 h LEU 40 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1tm4 h LEU 40 CO -0.11 0.14 -0.36 1.56 0.09 0.00 0.00 178.44 179.76 1tm4 h GLN 41 N 0.00 0.83 0.00 1.13 4.20 -0.71 -2.77 115.11 117.79 1tm4 h GLN 41 Ca -0.00 -0.42 -0.22 0.00 0.06 0.00 0.00 58.65 58.07 1tm4 h GLN 41 Cb 0.57 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 1tm4 h GLN 41 CO 0.02 1.06 -1.07 -0.44 -0.67 0.00 0.00 178.83 177.72 1tm4 h ASP 42 N 0.69 0.00 -1.83 1.46 3.32 -0.81 -3.41 116.42 115.85 1tm4 h ASP 42 Ca 0.06 -0.01 -0.49 0.00 0.02 0.00 0.00 57.03 56.62 1tm4 h ASP 42 Cb 0.93 -0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.14 1tm4 h ASP 42 CO 0.09 1.00 -0.91 1.17 -1.72 0.00 0.00 179.24 178.87 1tm4 n LYS 43 N -3.32 0.46 0.30 3.56 4.81 0.77 -4.91 118.16 119.82 1tm4 n LYS 43 Ca -0.02 -2.89 0.17 0.00 -0.87 0.00 0.00 58.31 54.69 1tm4 n LYS 43 Cb 0.95 -1.47 0.94 0.00 0.02 0.00 0.00 35.03 35.47 1tm4 n LYS 43 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1tm4 h PRO 44 N 4.84 0.00 -0.40 1.64 0.11 -1.70 -1.16 132.00 135.34 1tm4 h PRO 44 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1tm4 h PRO 44 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1tm4 h PRO 44 CO 0.35 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.17 1tm4 n ALA 45 N -2.25 2.44 -1.74 -0.75 0.00 -1.26 -4.98 120.51 111.98 1tm4 n ALA 45 Ca -0.03 -0.77 -0.42 0.00 0.00 0.00 0.00 53.44 52.23 1tm4 n ALA 45 Cb 0.12 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 1tm4 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tm4 n ALA 46 N 0.80 1.96 -3.09 0.00 0.00 -0.44 -4.96 120.51 114.79 1tm4 n ALA 46 Ca 0.16 0.35 -0.45 0.00 0.00 0.00 0.00 53.44 53.50 1tm4 n ALA 46 Cb 0.40 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.43 1tm4 n ALA 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tm4 s GLN 47 N -1.95 3.00 -0.17 0.00 -0.21 0.53 -4.97 119.66 115.89 1tm4 s GLN 47 Ca 0.54 -1.48 -0.13 0.00 0.02 0.00 0.00 55.36 54.31 1tm4 s GLN 47 Cb -0.51 -4.22 -0.05 0.00 1.00 0.00 0.00 33.01 29.23 1tm4 s GLN 47 CO 0.63 -1.24 0.28 0.42 -2.12 0.00 0.00 175.29 173.25 1tm4 s ILE 48 N 1.82 5.31 -0.08 1.08 1.01 -1.26 -1.57 121.20 127.50 1tm4 s ILE 48 Ca 0.05 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.23 1tm4 s ILE 48 Cb -0.27 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.60 1tm4 s ILE 48 CO 0.05 0.38 -0.16 -0.63 0.00 0.00 0.00 174.94 174.57 1tm4 s ILE 49 N 0.59 1.49 -0.17 2.92 1.09 -0.97 -4.99 121.20 121.15 1tm4 s ILE 49 Ca 0.15 -0.68 -0.14 0.00 -1.10 0.00 0.00 60.65 58.88 1tm4 s ILE 49 Cb -0.13 -1.33 -0.04 0.00 -1.06 0.00 0.00 42.46 39.90 1tm4 s ILE 49 CO 0.04 0.43 0.32 -0.69 -0.10 0.00 0.00 174.94 174.94 1tm4 s VAL 50 N 0.62 5.28 0.06 2.92 1.01 -1.26 -0.68 120.40 128.35 1tm4 s VAL 50 Ca -0.15 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1tm4 s VAL 50 Cb -0.16 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1tm4 s VAL 50 CO 0.04 0.35 -0.08 -0.76 0.00 0.00 0.00 175.10 174.65 1tm4 s LEU 51 N 0.74 2.32 0.32 3.92 1.43 -0.15 -4.96 118.68 122.30 1tm4 s LEU 51 Ca 0.17 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.31 1tm4 s LEU 51 Cb -0.14 -0.17 -0.10 0.00 0.03 0.00 0.00 46.19 45.81 1tm4 s LEU 51 CO 0.05 -0.26 1.27 -2.84 0.23 0.00 0.00 176.35 174.81 1tm4 s PRO 52 N -2.16 4.40 0.54 1.29 0.02 -1.26 -1.18 135.00 136.64 1tm4 s PRO 52 Ca -0.04 2.15 -0.21 0.00 0.02 0.00 0.00 61.00 62.92 1tm4 s PRO 52 Cb -0.06 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.31 1tm4 s PRO 52 CO -0.01 -0.13 1.23 0.54 -0.33 0.00 0.00 177.00 178.31 1tm4 s VAL 53 N -1.10 2.65 0.00 3.83 0.11 0.05 -2.96 120.40 122.99 1tm4 s VAL 53 Ca 0.48 0.45 0.00 0.00 -2.93 0.00 0.00 61.98 59.99 1tm4 s VAL 53 Cb -0.38 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1tm4 s VAL 53 CO 0.50 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 1tm4 n GLY 54 N 0.53 0.40 3.96 6.54 0.00 -1.26 -4.97 105.19 110.40 1tm4 n GLY 54 Ca 0.11 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 1tm4 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tm4 s THR 55 N -2.00 3.78 -0.06 2.61 -4.23 -1.16 -5.11 115.64 109.46 1tm4 s THR 55 Ca 0.00 -1.09 -0.05 0.00 -1.18 0.00 0.00 61.69 59.38 1tm4 s THR 55 Cb 0.00 -3.30 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 1tm4 s THR 55 CO 0.00 -0.14 0.15 -0.63 -0.54 0.00 0.00 174.62 173.46 1tm4 s ILE 56 N -2.23 5.37 0.14 2.99 -1.09 -1.26 -5.09 121.20 120.02 1tm4 s ILE 56 Ca 0.45 -0.01 0.02 0.00 -2.23 0.00 0.00 60.65 58.89 1tm4 s ILE 56 Cb -0.09 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1tm4 s ILE 56 CO 0.30 0.48 -0.03 0.68 -1.23 0.00 0.00 174.94 175.14 1tm4 s VAL 57 N -1.16 0.67 0.46 2.92 -7.23 -1.26 -5.14 120.40 109.67 1tm4 s VAL 57 Ca 0.21 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 58.17 1tm4 s VAL 57 Cb -0.12 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 1tm4 s VAL 57 CO 0.11 -0.66 1.23 0.35 -0.31 0.00 0.00 175.10 175.82 1tm4 n THR 58 N -0.15 2.87 -0.78 5.32 -2.24 -1.26 -4.93 114.28 113.11 1tm4 n THR 58 Ca -0.09 -0.50 -0.18 0.00 -2.27 0.00 0.00 64.05 61.01 1tm4 n THR 58 Cb 0.62 -1.51 0.15 0.00 -2.10 0.00 0.00 70.33 67.49 1tm4 n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tm4 n GLY 59 N 0.88 3.96 3.89 3.38 0.00 -1.26 -4.96 105.19 111.07 1tm4 n GLY 59 Ca 0.08 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 1tm4 n GLY 59 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tm4 s GLU 60 N -2.63 3.71 -0.27 1.61 1.03 -1.26 -5.07 118.70 115.81 1tm4 s GLU 60 Ca 0.46 0.31 -0.07 0.00 0.03 0.00 0.00 54.97 55.70 1tm4 s GLU 60 Cb 0.38 -2.45 -0.01 0.00 -0.80 0.00 0.00 34.13 31.25 1tm4 s GLU 60 CO 0.09 0.01 0.07 -0.47 -1.33 0.00 0.00 175.26 173.62 1tm4 s TYR 61 N -2.35 3.10 -0.24 4.83 5.04 -1.26 -5.01 117.35 121.46 1tm4 s TYR 61 Ca 0.49 -0.73 0.02 0.00 -2.44 0.00 0.00 57.07 54.41 1tm4 s TYR 61 Cb -0.10 -2.24 0.06 0.00 0.35 0.00 0.00 41.96 40.02 1tm4 s TYR 61 CO 0.33 -0.48 -0.09 1.03 -1.34 0.00 0.00 175.55 175.00 1tm4 s ARG 62 N 1.55 1.97 0.54 4.97 0.52 0.00 -5.00 118.95 123.50 1tm4 s ARG 62 Ca 0.05 -1.12 0.35 0.00 -0.52 0.00 0.00 55.73 54.48 1tm4 s ARG 62 Cb -0.16 -2.70 1.58 0.00 0.52 0.00 0.00 34.95 34.19 1tm4 s ARG 62 CO 0.02 -0.56 2.04 0.97 0.02 0.00 0.00 175.30 177.80 1tm4 h ILE 63 N 6.67 0.00 0.00 1.52 2.10 -1.95 -2.45 117.51 123.40 1tm4 h ILE 63 Ca -0.20 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.40 1tm4 h ILE 63 Cb 1.06 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 1tm4 h ILE 63 CO 0.44 0.00 -0.49 0.47 -1.08 0.00 0.00 178.15 177.49 1tm4 n ASP 64 N -2.96 0.49 -4.89 2.19 8.00 -1.26 -4.70 116.55 113.42 1tm4 n ASP 64 Ca -0.00 -0.16 -0.36 0.00 0.71 0.00 0.00 54.79 54.98 1tm4 n ASP 64 Cb 0.23 0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.48 1tm4 n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1tm4 s ARG 65 N -3.02 3.47 -0.22 -1.24 3.52 -0.94 -0.34 118.95 120.17 1tm4 s ARG 65 Ca 0.10 -0.17 -0.00 0.00 -0.13 0.00 0.00 55.73 55.54 1tm4 s ARG 65 Cb 0.17 -3.15 0.06 0.00 -1.56 0.00 0.00 34.95 30.47 1tm4 s ARG 65 CO 0.69 0.73 -0.03 0.08 -0.81 0.00 0.00 175.30 175.97 1tm4 s VAL 66 N -1.15 1.21 0.16 7.11 1.01 -0.61 -0.79 120.40 127.35 1tm4 s VAL 66 Ca 0.20 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1tm4 s VAL 66 Cb -0.12 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.63 1tm4 s VAL 66 CO 0.10 -0.13 0.92 -0.13 0.00 0.00 0.00 175.10 175.86 1tm4 s ARG 67 N 1.54 4.73 -0.24 2.72 0.52 -1.26 -2.30 118.95 124.67 1tm4 s ARG 67 Ca -0.04 1.41 -0.02 0.00 -0.52 0.00 0.00 55.73 56.56 1tm4 s ARG 67 Cb -0.18 -3.33 0.02 0.00 0.52 0.00 0.00 34.95 31.98 1tm4 s ARG 67 CO -0.07 0.37 -0.07 -0.51 0.02 0.00 0.00 175.30 175.05 1tm4 s LEU 68 N -0.58 3.03 -0.33 2.53 1.43 0.15 -4.46 118.68 120.45 1tm4 s LEU 68 Ca 0.43 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.64 1tm4 s LEU 68 Cb -0.24 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1tm4 s LEU 68 CO 0.30 -0.09 0.42 -0.36 0.23 0.00 0.00 176.35 176.84 1tm4 s PHE 69 N 1.37 3.21 0.10 0.29 0.08 -1.26 -0.98 117.98 120.79 1tm4 s PHE 69 Ca 0.02 0.14 0.06 0.00 0.12 0.00 0.00 56.93 57.27 1tm4 s PHE 69 Cb -0.16 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.52 1tm4 s PHE 69 CO -0.05 -0.42 -0.03 0.14 -0.10 0.00 0.00 175.22 174.76 1tm4 s VAL 70 N 2.16 3.79 0.66 -0.44 -7.23 -0.33 -0.85 120.40 118.15 1tm4 s VAL 70 Ca 0.15 -1.13 -0.10 0.00 -1.81 0.00 0.00 61.98 59.09 1tm4 s VAL 70 Cb -0.16 -2.81 0.15 0.00 0.56 0.00 0.00 36.38 34.12 1tm4 s VAL 70 CO 0.12 0.09 0.89 -0.90 -0.31 0.00 0.00 175.10 174.99 1tm4 n ASP 71 N 0.52 0.16 0.01 4.85 5.68 -0.08 -0.77 116.55 126.93 1tm4 n ASP 71 Ca -0.11 -1.38 0.08 0.00 -0.50 0.00 0.00 54.79 52.88 1tm4 n ASP 71 Cb 0.52 -0.67 0.35 0.00 -1.14 0.00 0.00 41.12 40.18 1tm4 n ASP 71 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1tm4 n ARG 72 N -2.87 0.02 -0.02 0.11 1.85 -1.26 -1.87 116.66 112.62 1tm4 n ARG 72 Ca 0.11 0.25 0.13 0.00 -1.00 0.00 0.00 57.85 57.34 1tm4 n ARG 72 Cb 0.40 -1.54 0.35 0.00 -1.05 0.00 0.00 32.46 30.63 1tm4 n ARG 72 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1tm4 n LEU 73 N -1.57 2.12 -1.26 2.89 4.77 -1.26 -4.96 117.00 117.72 1tm4 n LEU 73 Ca 0.04 -0.74 -0.11 0.00 -0.03 0.00 0.00 56.01 55.17 1tm4 n LEU 73 Cb 0.19 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1tm4 n LEU 73 CO 0.15 0.37 -0.14 0.47 -1.33 0.00 0.00 177.39 176.91 1tm4 n ASP 74 N 0.65 -3.60 -4.89 -1.43 9.92 -0.78 -5.00 116.55 111.41 1tm4 n ASP 74 Ca 0.17 -0.01 -0.27 0.00 -0.53 0.00 0.00 54.79 54.15 1tm4 n ASP 74 Cb 0.45 -2.84 -0.04 0.00 -0.64 0.00 0.00 41.12 38.05 1tm4 n ASP 74 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1tm4 s ASN 75 N -2.50 6.04 0.10 -2.24 0.01 -1.26 -1.43 114.94 113.66 1tm4 s ASN 75 Ca 0.00 0.09 -0.31 0.00 -0.71 0.00 0.00 52.86 51.93 1tm4 s ASN 75 Cb -0.00 -1.75 -0.07 0.00 0.41 0.00 0.00 41.25 39.83 1tm4 s ASN 75 CO 0.00 0.08 1.36 -0.63 -1.51 0.00 0.00 177.10 176.41 1tm4 s ILE 76 N -1.68 3.42 -0.64 0.60 -1.09 0.51 -0.90 121.20 121.42 1tm4 s ILE 76 Ca 0.33 1.01 0.06 0.00 -2.23 0.00 0.00 60.65 59.83 1tm4 s ILE 76 Cb -0.11 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1tm4 s ILE 76 CO 0.26 0.07 0.58 0.00 -1.23 0.00 0.00 174.94 174.63 1tm4 n ALA 77 N 4.02 2.54 -3.23 9.38 0.00 -0.03 -0.64 120.51 132.55 1tm4 n ALA 77 Ca 0.11 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 52.97 1tm4 n ALA 77 Cb 0.43 -0.20 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 1tm4 n ALA 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1tm4 s GLN 78 N -0.75 0.67 0.02 0.00 0.74 -1.25 -4.99 119.66 114.11 1tm4 s GLN 78 Ca 0.06 -0.21 -0.30 0.00 0.05 0.00 0.00 55.36 54.96 1tm4 s GLN 78 Cb 0.05 0.30 -0.08 0.00 1.10 0.00 0.00 33.01 34.38 1tm4 s GLN 78 CO 0.11 -0.19 1.87 0.08 -0.55 0.00 0.00 175.29 176.62 1tm4 s VAL 79 N -1.38 3.13 0.38 1.34 1.01 -1.26 -4.73 120.40 118.89 1tm4 s VAL 79 Ca -0.13 0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 1tm4 s VAL 79 Cb -0.05 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 1tm4 s VAL 79 CO 0.04 -0.02 1.31 -2.84 0.00 0.00 0.00 175.10 173.60 1tm4 s PRO 80 N 4.19 4.11 0.02 2.72 0.02 -1.26 -4.88 135.00 139.92 1tm4 s PRO 80 Ca 0.84 2.20 -0.12 0.00 0.02 0.00 0.00 61.00 63.94 1tm4 s PRO 80 Cb -0.40 -2.88 0.01 0.00 0.02 0.00 0.00 34.50 31.25 1tm4 s PRO 80 CO 0.38 -0.39 0.24 -0.98 -0.33 0.00 0.00 177.00 175.93 1tm4 s ARG 81 N -2.08 0.67 0.38 5.54 1.70 -1.26 -1.11 118.95 122.79 1tm4 s ARG 81 Ca 0.54 -0.42 -0.27 0.00 -0.47 0.00 0.00 55.73 55.11 1tm4 s ARG 81 Cb -0.39 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.18 1tm4 s ARG 81 CO 0.51 -0.19 1.30 0.08 -1.08 0.00 0.00 175.30 175.93 1tm4 s VAL 82 N -1.93 2.66 0.00 4.99 1.01 -0.21 -4.17 120.40 122.75 1tm4 s VAL 82 Ca -0.10 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1tm4 s VAL 82 Cb -0.04 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1tm4 s VAL 82 CO -0.00 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.82