#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr4 s GLU 9 N 0.00 1.78 -0.00 -0.14 -1.05 -1.26 -5.15 118.70 112.88 1nr4 s GLU 9 Ca 0.00 -1.18 0.06 0.00 -0.15 0.00 0.00 54.97 53.69 1nr4 s GLU 9 Cb 0.00 -2.11 -0.02 0.00 -0.44 0.00 0.00 34.13 31.56 1nr4 s GLU 9 CO 0.00 0.48 -0.17 0.00 0.95 0.00 0.00 175.26 176.52 1nr4 h LEU 12 N 9.28 0.78 -7.00 0.00 -0.00 -1.93 -3.45 115.31 112.99 1nr4 h LEU 12 Ca -0.27 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 57.77 1nr4 h LEU 12 Cb 1.11 -0.16 -0.19 0.00 -0.00 0.00 0.00 40.66 41.42 1nr4 h LEU 12 CO 0.81 0.53 0.64 -1.83 -0.00 0.00 0.00 178.44 178.59 1nr4 s GLU 13 N -6.10 0.55 0.46 1.13 -1.05 -1.26 -5.15 118.70 107.28 1nr4 s GLU 13 Ca -0.13 -0.12 -0.24 0.00 -0.15 0.00 0.00 54.97 54.34 1nr4 s GLU 13 Cb 0.16 0.25 -0.07 0.00 -0.44 0.00 0.00 34.13 34.04 1nr4 s GLU 13 CO 0.78 -0.22 1.28 0.71 0.95 0.00 0.00 175.26 178.75 1nr4 s TYR 14 N -2.30 2.69 0.67 4.83 4.12 -1.26 -4.84 117.35 121.26 1nr4 s TYR 14 Ca 0.05 1.44 -0.17 0.00 0.02 0.00 0.00 57.07 58.41 1nr4 s TYR 14 Cb -0.01 -3.62 0.00 0.00 -1.52 0.00 0.00 41.96 36.82 1nr4 s TYR 14 CO -0.05 -2.14 1.21 0.12 0.02 0.00 0.00 175.55 174.71 1nr4 s PHE 15 N -1.36 2.21 -0.09 2.71 5.36 -0.11 -4.97 117.98 121.72 1nr4 s PHE 15 Ca 0.63 1.55 0.01 0.00 -0.96 0.00 0.00 56.93 58.16 1nr4 s PHE 15 Cb -0.36 -3.49 0.02 0.00 -0.34 0.00 0.00 43.02 38.85 1nr4 s PHE 15 CO 0.44 -2.46 -0.11 0.21 -1.46 0.00 0.00 175.22 171.84 1nr4 s LYS 16 N -3.66 1.77 0.00 10.12 2.36 -1.26 -4.69 119.74 124.38 1nr4 s LYS 16 Ca 0.76 -0.39 0.00 0.00 -2.55 0.00 0.00 55.97 53.79 1nr4 s LYS 16 Cb -0.30 -1.60 0.00 0.00 -1.05 0.00 0.00 37.83 34.88 1nr4 s LYS 16 CO 0.40 -0.11 0.00 0.41 1.55 0.00 0.00 175.35 177.60 1nr4 n GLY 17 N 4.34 0.94 3.88 5.54 0.00 -1.26 -5.07 105.19 113.56 1nr4 n GLY 17 Ca -0.18 -2.31 -0.35 0.00 0.00 0.00 0.00 46.02 43.17 1nr4 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr4 s ALA 18 N -1.05 3.83 -0.16 4.61 0.00 -1.26 -5.06 121.76 122.68 1nr4 s ALA 18 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 1nr4 s ALA 18 Cb 0.00 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1nr4 s ALA 18 CO 0.00 0.63 -0.13 -1.50 0.00 0.00 0.00 175.76 174.75 1nr4 s ILE 19 N -1.25 2.86 0.20 0.00 -1.16 -1.26 -5.09 121.20 115.50 1nr4 s ILE 19 Ca 0.26 -0.71 -0.32 0.00 -0.51 0.00 0.00 60.65 59.37 1nr4 s ILE 19 Cb -0.13 -2.22 -0.14 0.00 0.61 0.00 0.00 42.46 40.58 1nr4 s ILE 19 CO 0.14 0.51 1.43 -2.65 -2.81 0.00 0.00 174.94 171.56 1nr4 n PRO 20 N 4.00 1.93 -0.24 3.50 -0.02 -1.26 -4.89 135.00 138.02 1nr4 n PRO 20 Ca -0.19 0.69 0.10 0.00 -2.02 0.00 0.00 63.50 62.09 1nr4 n PRO 20 Cb 0.52 -2.37 0.37 0.00 -0.02 0.00 0.00 33.50 32.01 1nr4 n PRO 20 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1nr4 h LEU 21 N 4.65 0.65 -1.99 2.45 3.38 -1.98 -2.15 115.31 120.31 1nr4 h LEU 21 Ca -0.45 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1nr4 h LEU 21 Cb 1.28 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1nr4 h LEU 21 CO 0.79 0.36 0.02 0.08 0.09 0.00 0.00 178.44 179.78 1nr4 h ARG 22 N 0.71 0.00 -0.00 1.13 0.11 -2.05 -1.27 114.38 113.01 1nr4 h ARG 22 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 1nr4 h ARG 22 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 1nr4 h ARG 22 CO -0.17 0.00 -0.60 1.63 0.10 0.00 0.00 179.97 180.93 1nr4 n LYS 23 N -2.56 0.16 -3.12 0.08 5.02 -0.81 -4.88 118.16 112.05 1nr4 n LYS 23 Ca -0.02 -0.11 -0.40 0.00 -2.02 0.00 0.00 58.31 55.77 1nr4 n LYS 23 Cb 0.06 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.52 1nr4 n LYS 23 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nr4 s LEU 24 N -2.91 4.22 -0.26 -0.35 1.43 -0.48 -0.55 118.68 119.78 1nr4 s LEU 24 Ca 0.12 0.96 -0.15 0.00 -1.03 0.00 0.00 54.13 54.03 1nr4 s LEU 24 Cb 0.17 -2.93 -0.12 0.00 0.03 0.00 0.00 46.19 43.35 1nr4 s LEU 24 CO 0.72 -0.18 -0.32 1.17 0.23 0.00 0.00 176.35 177.97 1nr4 n LYS 25 N 4.40 0.58 -3.80 1.70 4.81 -0.01 -4.77 118.16 121.07 1nr4 n LYS 25 Ca -0.02 0.28 -0.12 0.00 -0.87 0.00 0.00 58.31 57.58 1nr4 n LYS 25 Cb 0.51 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 34.05 1nr4 n LYS 25 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1nr4 n THR 26 N -4.29 0.00 -3.91 3.15 5.66 -0.87 -5.00 114.28 109.02 1nr4 n THR 26 Ca -0.48 -1.39 -0.09 0.00 -3.05 0.00 0.00 64.05 59.04 1nr4 n THR 26 Cb 0.83 1.01 -0.08 0.00 -1.55 0.00 0.00 70.33 70.54 1nr4 n THR 26 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 1nr4 s TRP 27 N -2.76 0.21 0.28 1.09 1.48 -1.26 -0.76 118.94 117.22 1nr4 s TRP 27 Ca 0.22 -0.62 -0.16 0.00 -1.06 0.00 0.00 56.10 54.48 1nr4 s TRP 27 Cb -0.03 -0.13 0.01 0.00 -1.16 0.00 0.00 33.47 32.17 1nr4 s TRP 27 CO 0.16 -0.48 0.61 1.52 -4.06 0.00 0.00 176.95 174.70 1nr4 s TYR 28 N -3.57 0.17 -0.02 1.66 -0.85 -0.45 -4.98 117.35 109.30 1nr4 s TYR 28 Ca 0.03 -0.60 -0.00 0.00 -0.52 0.00 0.00 57.07 55.98 1nr4 s TYR 28 Cb 0.04 0.45 0.03 0.00 0.38 0.00 0.00 41.96 42.86 1nr4 s TYR 28 CO -0.09 -1.17 0.03 -1.14 -1.52 0.00 0.00 175.55 171.65 1nr4 s GLN 29 N -3.69 -0.03 0.22 -3.49 0.74 -1.26 -0.30 119.66 111.84 1nr4 s GLN 29 Ca 0.18 0.17 0.08 0.00 0.05 0.00 0.00 55.36 55.84 1nr4 s GLN 29 Cb -0.03 -0.22 -0.04 0.00 1.10 0.00 0.00 33.01 33.82 1nr4 s GLN 29 CO 0.09 -0.15 0.01 0.99 -0.55 0.00 0.00 175.29 175.68 1nr4 s THR 30 N 0.94 3.63 0.00 -0.34 2.01 -1.25 -5.04 115.64 115.59 1nr4 s THR 30 Ca -0.08 -1.66 0.00 0.00 0.31 0.00 0.00 61.69 60.27 1nr4 s THR 30 Cb -0.11 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1nr4 s THR 30 CO -0.03 -0.25 0.00 -1.54 -0.69 0.00 0.00 174.62 172.11 1nr4 n SER 31 N -0.55 1.53 0.00 3.53 3.41 -1.26 -3.89 113.62 116.39 1nr4 n SER 31 Ca -0.08 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 1nr4 n SER 31 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1nr4 n SER 31 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nr4 n GLU 32 N 0.00 0.00 -2.07 4.33 1.02 -1.26 -4.76 120.64 117.90 1nr4 n GLU 32 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1nr4 n GLU 32 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1nr4 n GLU 32 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nr4 s ASP 33 N -2.80 6.72 0.00 1.62 1.11 -1.26 -1.81 116.67 120.26 1nr4 s ASP 33 Ca 0.00 2.52 0.00 0.00 0.18 0.00 0.00 52.55 55.25 1nr4 s ASP 33 Cb 0.00 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.39 1nr4 s ASP 33 CO 0.00 -0.69 0.00 0.00 1.18 0.00 0.00 175.17 175.66 1nr4 h SER 35 N 0.00 0.00 -1.14 0.00 4.64 -1.54 -2.14 113.55 113.36 1nr4 h SER 35 Ca 0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 1nr4 h SER 35 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1nr4 h SER 35 CO 0.00 0.28 -0.37 0.54 -0.87 0.00 0.00 176.83 176.41 1nr4 n ARG 36 N -3.34 -1.34 -2.89 4.77 1.74 -1.26 -1.78 116.66 112.55 1nr4 n ARG 36 Ca 0.01 1.13 -0.17 0.00 -0.77 0.00 0.00 57.85 58.05 1nr4 n ARG 36 Cb 0.51 -5.47 -0.00 0.00 -1.02 0.00 0.00 32.46 26.48 1nr4 n ARG 36 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1nr4 n ASP 37 N -1.13 -3.88 -4.76 0.55 8.00 -1.26 -4.81 116.55 109.26 1nr4 n ASP 37 Ca -0.19 -0.09 -0.37 0.00 0.71 0.00 0.00 54.79 54.85 1nr4 n ASP 37 Cb 0.63 -3.25 0.01 0.00 -0.02 0.00 0.00 41.12 38.48 1nr4 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nr4 s ALA 38 N -2.77 2.86 -0.20 2.24 0.00 -0.73 -4.59 121.76 118.56 1nr4 s ALA 38 Ca 0.20 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 1nr4 s ALA 38 Cb -0.10 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1nr4 s ALA 38 CO 0.24 -0.88 1.04 0.42 0.00 0.00 0.00 175.76 176.59 1nr4 s ILE 39 N -1.53 4.68 -0.38 0.00 -1.09 -0.46 -3.94 121.20 118.48 1nr4 s ILE 39 Ca 0.68 2.01 -0.12 0.00 -2.23 0.00 0.00 60.65 60.99 1nr4 s ILE 39 Cb -0.31 -4.30 0.03 0.00 -1.58 0.00 0.00 42.46 36.30 1nr4 s ILE 39 CO 0.36 -0.14 0.23 -0.69 -1.23 0.00 0.00 174.94 173.47 1nr4 s VAL 40 N 2.97 4.72 0.09 2.92 1.01 0.58 0.04 120.40 132.72 1nr4 s VAL 40 Ca 0.45 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1nr4 s VAL 40 Cb -0.16 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 1nr4 s VAL 40 CO 0.09 -0.25 0.81 -0.36 0.00 0.00 0.00 175.10 175.39 1nr4 s PHE 41 N 1.58 3.79 -0.20 5.22 0.40 -0.62 -1.35 117.98 126.81 1nr4 s PHE 41 Ca 0.03 1.58 -0.05 0.00 -0.60 0.00 0.00 56.93 57.88 1nr4 s PHE 41 Cb -0.19 -2.85 -0.02 0.00 0.51 0.00 0.00 43.02 40.46 1nr4 s PHE 41 CO 0.07 0.32 0.00 0.08 0.70 0.00 0.00 175.22 176.39 1nr4 s VAL 42 N -0.31 3.97 0.65 -0.44 1.01 0.06 0.04 120.40 125.38 1nr4 s VAL 42 Ca 0.39 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1nr4 s VAL 42 Cb -0.22 -2.79 0.04 0.00 0.00 0.00 0.00 36.38 33.41 1nr4 s VAL 42 CO 0.25 0.43 0.97 0.42 0.00 0.00 0.00 175.10 177.17 1nr4 s THR 43 N 0.98 2.94 0.36 3.92 -4.23 -0.14 -0.83 115.64 118.63 1nr4 s THR 43 Ca 0.02 -0.12 0.07 0.00 -1.18 0.00 0.00 61.69 60.48 1nr4 s THR 43 Cb -0.14 -3.22 0.14 0.00 1.34 0.00 0.00 72.50 70.62 1nr4 s THR 43 CO 0.02 -0.23 1.87 0.58 -0.54 0.00 0.00 174.62 176.31 1nr4 h VAL 44 N -0.41 1.20 -0.00 2.29 2.07 -1.12 -1.66 116.25 118.62 1nr4 h VAL 44 Ca -0.45 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1nr4 h VAL 44 Cb 1.29 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1nr4 h VAL 44 CO 0.61 0.28 -0.01 0.00 0.02 0.00 0.00 177.57 178.47 1nr4 n GLN 45 N -4.24 1.06 -1.14 1.57 3.00 -1.26 -4.91 117.38 111.45 1nr4 n GLN 45 Ca -0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1nr4 n GLN 45 Cb 0.29 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.03 1nr4 n GLN 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nr4 n GLY 46 N 1.08 0.86 3.86 1.08 0.00 -0.62 -5.08 105.19 106.36 1nr4 n GLY 46 Ca 0.22 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 1nr4 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nr4 s ARG 47 N -2.56 3.13 -0.05 1.61 0.52 -1.26 -4.90 118.95 115.44 1nr4 s ARG 47 Ca 0.00 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 1nr4 s ARG 47 Cb 0.00 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 1nr4 s ARG 47 CO 0.00 0.49 -0.04 0.00 0.02 0.00 0.00 175.30 175.77 1nr4 s ALA 48 N -1.78 3.12 -0.27 2.13 0.00 -1.26 -0.96 121.76 122.74 1nr4 s ALA 48 Ca 0.33 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1nr4 s ALA 48 Cb -0.10 -1.30 0.07 0.00 0.00 0.00 0.00 23.12 21.79 1nr4 s ALA 48 CO 0.26 0.59 -0.01 0.42 0.00 0.00 0.00 175.76 177.02 1nr4 s ILE 49 N -0.90 1.57 0.17 0.00 1.01 0.11 -4.97 121.20 118.19 1nr4 s ILE 49 Ca 0.14 -1.46 -0.26 0.00 0.00 0.00 0.00 60.65 59.08 1nr4 s ILE 49 Cb -0.11 -1.95 -0.08 0.00 0.01 0.00 0.00 42.46 40.33 1nr4 s ILE 49 CO 0.04 -0.28 0.78 0.00 0.00 0.00 0.00 174.94 175.48 1nr4 s SER 51 N -1.13 0.13 -0.16 0.00 0.01 0.11 -0.93 113.70 111.72 1nr4 s SER 51 Ca 0.36 -0.32 -0.29 0.00 1.31 0.00 0.00 55.95 57.01 1nr4 s SER 51 Cb -0.23 0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.08 1nr4 s SER 51 CO 0.26 -0.28 1.87 -0.62 0.41 0.00 0.00 173.24 174.88 1nr4 s ASP 52 N -1.20 6.13 0.53 2.44 -1.08 -1.26 -1.36 116.67 120.87 1nr4 s ASP 52 Ca -0.13 1.93 0.35 0.00 -0.52 0.00 0.00 52.55 54.17 1nr4 s ASP 52 Cb -0.08 -2.53 1.61 0.00 -1.46 0.00 0.00 42.92 40.46 1nr4 s ASP 52 CO -0.00 -1.41 2.03 1.55 0.52 0.00 0.00 175.17 177.86 1nr4 h PRO 53 N 11.93 0.00 -0.01 4.34 0.13 -1.87 -2.77 132.00 143.75 1nr4 h PRO 53 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1nr4 h PRO 53 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1nr4 h PRO 53 CO 0.98 0.00 -0.37 0.09 -0.23 0.00 0.00 178.00 178.46 1nr4 n ASN 54 N -2.90 1.11 -4.74 1.44 3.02 -1.26 -4.74 115.26 107.19 1nr4 n ASN 54 Ca -0.00 -0.90 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 1nr4 n ASN 54 Cb 0.21 0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 39.59 1nr4 n ASN 54 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1nr4 s ASN 55 N -2.60 7.39 0.13 6.41 3.84 -1.05 -4.98 114.94 124.09 1nr4 s ASN 55 Ca 0.20 2.05 -0.15 0.00 0.21 0.00 0.00 52.86 55.18 1nr4 s ASN 55 Cb 0.19 -2.61 -0.01 0.00 -0.55 0.00 0.00 41.25 38.27 1nr4 s ASN 55 CO 0.58 -0.09 1.62 0.11 -2.79 0.00 0.00 177.10 176.53 1nr4 h LYS 56 N 4.67 0.68 -0.76 0.43 1.57 -1.93 -1.46 116.57 119.77 1nr4 h LYS 56 Ca -0.45 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1nr4 h LYS 56 Cb 1.21 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 1nr4 h LYS 56 CO 0.70 0.71 0.49 -0.09 -0.57 0.00 0.00 179.45 180.69 1nr4 h ARG 57 N 0.54 1.00 -0.09 3.15 9.65 -1.96 0.24 114.38 126.92 1nr4 h ARG 57 Ca 0.13 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1nr4 h ARG 57 Cb 0.34 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1nr4 h ARG 57 CO 0.00 0.67 0.05 0.28 2.80 0.00 0.00 179.97 183.78 1nr4 h VAL 58 N 1.03 1.01 -0.46 0.20 2.07 -1.78 -1.31 116.25 117.01 1nr4 h VAL 58 Ca 0.28 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.68 1nr4 h VAL 58 Cb -0.10 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1nr4 h VAL 58 CO -0.06 0.02 -0.05 0.11 0.02 0.00 0.00 177.57 177.61 1nr4 h LYS 59 N 0.10 0.79 -0.21 1.57 1.57 -0.78 -1.66 116.57 117.95 1nr4 h LYS 59 Ca 0.03 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 1nr4 h LYS 59 Cb -0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1nr4 h LYS 59 CO -0.02 0.83 -0.02 -0.91 -0.57 0.00 0.00 179.45 178.76 1nr4 h ASN 60 N 0.72 0.29 0.07 0.86 2.35 -0.30 -1.70 115.58 117.88 1nr4 h ASN 60 Ca 0.13 -0.04 -0.22 0.00 -0.55 0.00 0.00 56.30 55.62 1nr4 h ASN 60 Cb 0.52 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.82 1nr4 h ASN 60 CO 0.03 0.36 -0.82 0.00 -1.65 0.00 0.00 177.43 175.35 1nr4 h ALA 61 N 1.68 0.38 -0.61 -0.83 0.00 -0.60 -1.57 119.26 117.71 1nr4 h ALA 61 Ca 0.07 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1nr4 h ALA 61 Cb 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1nr4 h ALA 61 CO 0.01 0.73 0.35 0.28 0.00 0.00 0.00 179.25 180.62 1nr4 h VAL 62 N 0.40 1.19 -0.79 0.00 2.07 -1.18 -1.35 116.25 116.59 1nr4 h VAL 62 Ca -0.06 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1nr4 h VAL 62 Cb 1.44 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1nr4 h VAL 62 CO 0.16 0.20 0.51 0.11 0.02 0.00 0.00 177.57 178.57 1nr4 h LYS 63 N 0.83 0.99 -0.19 1.57 1.57 -1.12 0.37 116.57 120.59 1nr4 h LYS 63 Ca 0.22 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1nr4 h LYS 63 Cb 0.01 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.05 1nr4 h LYS 63 CO -0.04 0.65 -0.11 -0.92 -0.57 0.00 0.00 179.45 178.47 1nr4 h TYR 64 N 1.02 -0.25 -0.77 -1.35 3.20 -1.00 0.19 116.97 118.01 1nr4 h TYR 64 Ca 0.30 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 1nr4 h TYR 64 Cb -0.05 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 1nr4 h TYR 64 CO -0.02 -0.16 0.44 -0.07 -1.64 0.00 0.00 178.16 176.70 1nr4 h LEU 65 N -0.09 0.94 -1.00 2.82 3.38 -0.79 -0.64 115.31 119.93 1nr4 h LEU 65 Ca 0.11 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1nr4 h LEU 65 Cb 0.25 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1nr4 h LEU 65 CO -0.25 0.75 0.66 1.56 0.09 0.00 0.00 178.44 181.24 1nr4 h GLN 66 N 1.05 1.32 0.00 1.13 4.20 -0.62 -2.62 115.11 119.58 1nr4 h GLN 66 Ca 0.27 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.73 1nr4 h GLN 66 Cb 0.00 -0.30 -0.02 0.00 0.30 0.00 0.00 27.48 27.46 1nr4 h GLN 66 CO -0.05 0.88 -0.77 0.77 -0.67 0.00 0.00 178.83 178.99 1nr4 h SER 67 N 1.36 0.00 -0.59 1.46 0.02 -0.10 -2.95 113.55 112.75 1nr4 h SER 67 Ca 0.37 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.25 1nr4 h SER 67 Cb -0.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1nr4 h SER 67 CO -0.08 0.77 0.13 0.25 -1.14 0.00 0.00 176.83 176.76 1nr4 h LEU 68 N 0.00 0.94 -1.39 5.07 5.85 -1.02 -2.35 115.31 122.41 1nr4 h LEU 68 Ca -0.01 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1nr4 h LEU 68 Cb 1.53 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1nr4 h LEU 68 CO 0.10 0.92 0.09 -0.08 -0.34 0.00 0.00 178.44 179.13 1nr4 h GLU 69 N 0.94 0.50 0.00 1.25 4.57 -1.40 -3.52 114.58 116.92 1nr4 h GLU 69 Ca 0.20 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1nr4 h GLU 69 Cb 0.37 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1nr4 h GLU 69 CO 0.00 0.46 0.00 0.54 -1.18 0.00 0.00 179.01 178.83