#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr3 n ARG 2 N 0.00 0.00 -3.75 2.12 0.63 -1.26 -5.15 116.66 109.25 1nr3 n ARG 2 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 1nr3 n ARG 2 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 1nr3 n ARG 2 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1nr3 s GLU 3 N 0.00 3.30 -1.13 -0.14 2.02 -1.26 -5.04 118.70 116.44 1nr3 s GLU 3 Ca 0.00 -0.87 -0.09 0.00 0.02 0.00 0.00 54.97 54.03 1nr3 s GLU 3 Cb 0.00 -2.86 0.27 0.00 0.10 0.00 0.00 34.13 31.64 1nr3 s GLU 3 CO 0.00 0.27 1.21 0.54 0.02 0.00 0.00 175.26 177.30 1nr3 n ARG 4 N -1.51 3.64 0.00 1.61 1.74 -1.26 -5.00 116.66 115.88 1nr3 n ARG 4 Ca -0.05 -4.39 0.00 0.00 -0.77 0.00 0.00 57.85 52.64 1nr3 n ARG 4 Cb 0.57 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 1nr3 n ARG 4 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nr3 n GLY 5 N 2.67 2.58 0.00 -0.13 0.00 -1.26 -1.96 105.19 107.08 1nr3 n GLY 5 Ca 0.26 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1nr3 n GLY 5 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1nr3 n TRP 6 N 14.00 0.00 0.00 1.61 4.27 -1.26 -4.43 117.44 131.63 1nr3 n TRP 6 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1nr3 n TRP 6 Cb 0.00 -0.13 0.00 0.00 -1.36 0.00 0.00 31.31 29.82 1nr3 n TRP 6 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1nr3 n SER 7 N -1.50 0.00 -2.75 -0.67 2.88 -0.83 -2.30 113.62 108.45 1nr3 n SER 7 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1nr3 n SER 7 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1nr3 n SER 7 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1nr3 n GLN 8 N 0.00 0.76 0.00 -1.46 7.27 -1.26 -4.89 117.38 117.80 1nr3 n GLN 8 Ca 0.00 -1.69 0.00 0.00 0.07 0.00 0.00 57.00 55.38 1nr3 n GLN 8 Cb 0.00 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.26 1nr3 n GLN 8 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1nr3 n LYS 9 N 1.58 0.00 0.00 3.69 3.00 -0.97 -4.99 118.16 120.47 1nr3 n LYS 9 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1nr3 n LYS 9 Cb 0.64 -0.40 0.00 0.00 0.00 0.00 0.00 35.03 35.27 1nr3 n LYS 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1nr3 n LYS 10 N -0.66 0.00 0.00 1.64 4.81 -1.26 -4.85 118.16 117.85 1nr3 n LYS 10 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 1nr3 n LYS 10 Cb 0.00 0.00 0.71 0.00 0.02 0.00 0.00 35.03 35.76 1nr3 n LYS 10 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1nr3 n ILE 11 N -1.51 0.00 -0.46 3.15 5.41 -1.26 -3.78 119.36 120.91 1nr3 n ILE 11 Ca 0.00 0.00 0.38 0.00 1.00 0.00 0.00 62.75 64.13 1nr3 n ILE 11 Cb 0.00 -0.48 0.66 0.00 -0.71 0.00 0.00 39.64 39.11 1nr3 n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nr3 h ALA 12 N 3.61 2.82 0.65 -1.39 0.00 -1.91 0.62 119.26 123.66 1nr3 h ALA 12 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nr3 h ALA 12 Cb 0.00 0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1nr3 h ALA 12 CO 0.00 -1.43 -0.32 0.00 0.00 0.00 0.00 179.25 177.50 1nr3 h ARG 13 N 0.09 -0.85 -0.42 0.00 2.47 -1.91 0.29 114.38 114.05 1nr3 h ARG 13 Ca 0.81 0.06 0.11 0.00 -1.26 0.00 0.00 59.98 59.70 1nr3 h ARG 13 Cb 2.62 0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 31.12 1nr3 h ARG 13 CO -0.37 -0.56 0.30 1.49 0.56 0.00 0.00 179.97 181.39 1nr3 h GLU 14 N -0.88 0.07 -0.04 0.04 4.81 -0.13 -0.70 114.58 117.75 1nr3 h GLU 14 Ca -0.09 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1nr3 h GLU 14 Cb 0.68 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1nr3 h GLU 14 CO 0.14 0.05 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.31 1nr3 h LEU 15 N 0.07 0.16 -1.60 1.64 4.07 -0.52 -1.81 115.31 117.32 1nr3 h LEU 15 Ca 0.20 -0.58 0.14 0.00 0.08 0.00 0.00 57.88 57.72 1nr3 h LEU 15 Cb 0.70 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.35 1nr3 h LEU 15 CO -0.02 0.71 0.48 0.50 -1.08 0.00 0.00 178.44 179.03 1nr3 h LYS 16 N -0.38 0.39 0.00 1.13 1.63 0.95 0.42 116.57 120.71 1nr3 h LYS 16 Ca 0.00 -0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.64 1nr3 h LYS 16 Cb 0.68 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1nr3 h LYS 16 CO 0.02 0.26 -0.65 1.15 -3.45 0.00 0.00 179.45 176.78 1nr3 h THR 17 N 0.41 1.34 -3.56 1.00 2.02 -1.09 -3.44 112.91 109.59 1nr3 h THR 17 Ca 0.35 -2.32 -0.52 0.00 0.77 0.00 0.00 66.41 64.69 1nr3 h THR 17 Cb 0.78 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 69.46 1nr3 h THR 17 CO -0.11 0.63 0.35 0.28 0.37 0.00 0.00 175.52 177.05 1nr3 s THR 18 N -3.34 4.52 0.00 3.16 -1.32 0.15 -4.90 115.64 113.91 1nr3 s THR 18 Ca 0.00 2.06 0.00 0.00 -1.21 0.00 0.00 61.69 62.54 1nr3 s THR 18 Cb 0.11 -4.32 0.00 0.00 -1.51 0.00 0.00 72.50 66.78 1nr3 s THR 18 CO 0.76 0.31 0.00 -2.11 -2.21 0.00 0.00 174.62 171.37 1nr3 n ARG 19 N 2.82 0.00 -0.61 7.08 1.85 -1.26 -4.79 116.66 121.75 1nr3 n ARG 19 Ca 0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.69 1nr3 n ARG 19 Cb 0.49 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.89 1nr3 n ARG 19 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1nr3 n GLN 20 N 0.00 1.71 -2.22 2.89 1.13 -1.26 -4.31 117.38 115.31 1nr3 n GLN 20 Ca 0.00 -1.29 -0.05 0.00 -1.94 0.00 0.00 57.00 53.72 1nr3 n GLN 20 Cb 0.00 -2.38 -0.01 0.00 0.11 0.00 0.00 30.24 27.97 1nr3 n GLN 20 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1nr3 n ASN 21 N 4.38 -1.94 -3.57 1.08 5.15 -1.26 -4.82 115.26 114.29 1nr3 n ASN 21 Ca 0.37 0.33 -0.02 0.00 -0.60 0.00 0.00 54.58 54.66 1nr3 n ASN 21 Cb 0.11 -1.81 -0.05 0.00 -0.53 0.00 0.00 39.78 37.50 1nr3 n ASN 21 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1nr3 s VAL 22 N -2.07 -0.43 0.00 3.44 1.01 -1.26 -4.90 120.40 116.19 1nr3 s VAL 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1nr3 s VAL 22 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1nr3 s VAL 22 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.10 174.86 1nr3 n SER 23 N 4.69 -0.54 -3.17 3.32 2.88 -1.26 -4.75 113.62 114.78 1nr3 n SER 23 Ca -0.14 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.09 1nr3 n SER 23 Cb 0.54 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.88 1nr3 n SER 23 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nr3 n ALA 24 N 0.47 6.38 0.23 -1.46 0.00 -1.26 -4.48 120.51 120.40 1nr3 n ALA 24 Ca 0.00 -2.82 0.08 0.00 0.00 0.00 0.00 53.44 50.70 1nr3 n ALA 24 Cb 0.00 -3.16 0.58 0.00 0.00 0.00 0.00 19.45 16.86 1nr3 n ALA 24 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1nr3 h ILE 25 N 3.10 0.86 -0.04 0.00 2.04 -1.92 0.20 117.51 121.74 1nr3 h ILE 25 Ca 0.69 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1nr3 h ILE 25 Cb 0.30 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1nr3 h ILE 25 CO 1.56 0.19 -0.09 -0.33 0.00 0.00 0.00 178.15 179.48 1nr3 h GLU 26 N 0.00 0.13 0.08 2.37 5.08 -1.94 -1.06 114.58 119.25 1nr3 h GLU 26 Ca -0.00 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1nr3 h GLU 26 Cb 0.43 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1nr3 h GLU 26 CO 0.03 0.67 -0.04 0.00 -1.00 0.00 0.00 179.01 178.67 1nr3 h ARG 27 N -0.39 -0.11 -0.26 2.33 2.47 -1.84 0.49 114.38 117.07 1nr3 h ARG 27 Ca 0.00 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.79 1nr3 h ARG 27 Cb 0.67 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.95 1nr3 h ARG 27 CO 0.02 0.26 -0.16 -0.22 0.56 0.00 0.00 179.97 180.42 1nr3 h LYS 28 N -0.49 -0.14 0.00 0.04 1.63 -0.71 0.55 116.57 117.45 1nr3 h LYS 28 Ca -0.01 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1nr3 h LYS 28 Cb 0.42 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1nr3 h LYS 28 CO 0.02 -0.09 -0.10 0.00 -3.45 0.00 0.00 179.45 175.83 1nr3 h ALA 29 N 1.02 -0.11 0.00 5.00 0.00 -1.17 0.72 119.26 124.72 1nr3 h ALA 29 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nr3 h ALA 29 Cb 0.36 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1nr3 h ALA 29 CO -0.35 -0.59 0.00 -1.33 0.00 0.00 0.00 179.25 176.98 1nr3 n MET 30 N -5.23 0.15 -0.86 0.00 2.81 0.16 -2.11 117.12 112.04 1nr3 n MET 30 Ca -0.06 0.59 -0.09 0.00 -1.81 0.00 0.00 57.70 56.33 1nr3 n MET 30 Cb 0.15 -1.94 -0.08 0.00 -0.71 0.00 0.00 33.22 30.63 1nr3 n MET 30 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1nr3 n GLU 31 N -2.26 1.67 -3.28 0.03 4.71 0.18 -4.67 120.64 117.02 1nr3 n GLU 31 Ca -0.01 -0.81 -0.20 0.00 -0.01 0.00 0.00 57.16 56.13 1nr3 n GLU 31 Cb 0.08 -1.63 -0.02 0.00 -1.01 0.00 0.00 31.44 28.86 1nr3 n GLU 31 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1nr3 n ASN 32 N 1.83 -2.82 -4.46 1.62 3.02 -1.14 -4.86 115.26 108.45 1nr3 n ASN 32 Ca 0.27 -0.28 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1nr3 n ASN 32 Cb 0.71 -2.39 0.22 0.00 -0.61 0.00 0.00 39.78 37.71 1nr3 n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nr3 n ILE 33 N -3.59 0.00 0.06 2.41 3.06 -0.90 -5.00 119.36 115.40 1nr3 n ILE 33 Ca -0.00 -0.35 0.00 0.00 -2.50 0.00 0.00 62.75 59.90 1nr3 n ILE 33 Cb 0.52 -0.91 0.00 0.00 0.54 0.00 0.00 39.64 39.80 1nr3 n ILE 33 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1nr3 n GLU 34 N -4.18 0.00 0.00 9.51 2.13 -1.26 -5.03 120.64 121.81 1nr3 n GLU 34 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1nr3 n GLU 34 Cb 0.55 -0.33 0.00 0.00 0.27 0.00 0.00 31.44 31.94 1nr3 n GLU 34 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1nr3 n LYS 35 N -3.31 0.00 0.00 5.31 2.85 -1.26 -5.07 118.16 116.68 1nr3 n LYS 35 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1nr3 n LYS 35 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1nr3 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1nr3 n SER 36 N 0.00 0.00 0.00 -5.58 2.88 -1.26 -5.00 113.62 104.66 1nr3 n SER 36 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1nr3 n SER 36 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1nr3 n SER 36 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1nr3 n ARG 37 N -2.35 0.00 -0.45 -1.46 1.74 -1.26 -4.60 116.66 108.28 1nr3 n ARG 37 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1nr3 n ARG 37 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1nr3 n ARG 37 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1nr3 n ASN 38 N 1.59 0.00 0.00 0.55 2.85 -1.26 -4.92 115.26 114.06 1nr3 n ASN 38 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1nr3 n ASN 38 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1nr3 n ASN 38 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1nr3 n THR 39 N -2.00 0.00 -0.32 -0.44 -1.04 -1.26 -1.51 114.28 107.70 1nr3 n THR 39 Ca 0.00 0.10 0.36 0.00 -2.04 0.00 0.00 64.05 62.47 1nr3 n THR 39 Cb 0.00 -0.25 0.69 0.00 -1.82 0.00 0.00 70.33 68.95 1nr3 n THR 39 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 1nr3 h LEU 40 N 0.00 0.00 0.40 -4.42 -0.00 -1.94 0.61 115.31 109.95 1nr3 h LEU 40 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1nr3 h LEU 40 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1nr3 h LEU 40 CO 0.00 0.00 -0.19 -0.78 -0.00 0.00 0.00 178.44 177.47 1nr3 h ASP 41 N 0.00 -0.45 -0.76 0.17 3.58 -1.93 0.28 116.42 117.31 1nr3 h ASP 41 Ca 0.58 -0.13 0.20 0.00 0.42 0.00 0.00 57.03 58.11 1nr3 h ASP 41 Cb 2.62 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 43.75 1nr3 h ASP 41 CO -0.01 -0.05 0.53 0.15 -2.88 0.00 0.00 179.24 176.99 1nr3 h PHE 42 N -0.93 0.16 0.00 0.28 3.57 0.13 0.69 116.94 120.84 1nr3 h PHE 42 Ca -0.05 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.29 1nr3 h PHE 42 Cb 0.55 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1nr3 h PHE 42 CO 0.02 0.05 -0.91 0.28 -2.23 0.00 0.00 178.31 175.52 1nr3 h VAL 43 N 0.12 0.96 -0.38 1.41 2.07 -1.12 -3.30 116.25 116.02 1nr3 h VAL 43 Ca 0.37 -2.46 -0.05 0.00 0.82 0.00 0.00 66.70 65.38 1nr3 h VAL 43 Cb 1.28 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 33.46 1nr3 h VAL 43 CO -0.05 0.55 0.06 0.07 0.02 0.00 0.00 177.57 178.22 1nr3 h LYS 44 N 0.00 0.63 -0.80 1.57 5.09 0.41 -2.80 116.57 120.67 1nr3 h LYS 44 Ca -0.06 -0.17 0.19 0.00 0.09 0.00 0.00 60.65 60.70 1nr3 h LYS 44 Cb 1.56 -0.07 -0.13 0.00 0.10 0.00 0.00 32.23 33.69 1nr3 h LYS 44 CO 0.08 0.69 0.17 1.03 -2.09 0.00 0.00 179.45 179.32 1nr3 h SER 45 N 0.48 -0.07 -0.95 7.07 0.87 -1.25 0.45 113.55 120.15 1nr3 h SER 45 Ca 0.12 0.18 0.14 0.00 -1.23 0.00 0.00 61.79 60.99 1nr3 h SER 45 Cb 0.36 0.26 -0.15 0.00 -0.44 0.00 0.00 62.40 62.43 1nr3 h SER 45 CO 0.01 -0.11 -0.40 0.18 -0.53 0.00 0.00 176.83 175.97 1nr3 n LEU 46 N -5.22 -0.68 -3.24 2.23 4.77 -1.06 -4.82 117.00 108.98 1nr3 n LEU 46 Ca 0.17 1.67 -0.15 0.00 -0.03 0.00 0.00 56.01 57.66 1nr3 n LEU 46 Cb 0.55 -0.36 0.08 0.00 -2.33 0.00 0.00 43.42 41.36 1nr3 n LEU 46 CO 0.08 -1.48 0.07 0.29 -1.33 0.00 0.00 177.39 175.03 1nr3 n LYS 47 N -5.37 -4.57 -3.40 3.23 5.02 0.15 -4.99 118.16 108.22 1nr3 n LYS 47 Ca 0.09 0.81 -0.31 0.00 -2.02 0.00 0.00 58.31 56.88 1nr3 n LYS 47 Cb 0.36 -5.66 -0.05 0.00 -0.02 0.00 0.00 35.03 29.66 1nr3 n LYS 47 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1nr3 s SER 48 N -3.91 6.59 0.44 4.39 0.01 -1.26 -4.40 113.70 115.55 1nr3 s SER 48 Ca 0.18 0.87 -0.22 0.00 1.31 0.00 0.00 55.95 58.09 1nr3 s SER 48 Cb -0.02 -2.21 -0.09 0.00 0.21 0.00 0.00 66.02 63.91 1nr3 s SER 48 CO 0.70 -0.09 1.05 -2.16 0.41 0.00 0.00 173.24 173.14 1nr3 s PRO 49 N -2.95 4.00 0.14 12.44 0.04 -0.83 -4.22 135.00 143.61 1nr3 s PRO 49 Ca 0.47 1.45 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 1nr3 s PRO 49 Cb -0.11 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.11 1nr3 s PRO 49 CO 0.23 -0.27 0.41 0.08 0.04 0.00 0.00 177.00 177.49 1nr3 s VAL 50 N -1.79 0.06 -0.28 -0.36 1.01 0.50 -4.95 120.40 114.60 1nr3 s VAL 50 Ca 0.62 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 1nr3 s VAL 50 Cb -0.20 -1.24 0.08 0.00 0.00 0.00 0.00 36.38 35.02 1nr3 s VAL 50 CO 0.24 -0.29 0.73 -0.60 0.00 0.00 0.00 175.10 175.18 1nr3 s ARG 51 N -3.82 0.74 -0.06 2.72 3.52 -1.26 -0.08 118.95 120.70 1nr3 s ARG 51 Ca 0.04 1.10 -0.21 0.00 -0.13 0.00 0.00 55.73 56.53 1nr3 s ARG 51 Cb 0.02 0.24 0.04 0.00 -1.56 0.00 0.00 34.95 33.69 1nr3 s ARG 51 CO -0.10 -0.12 0.47 0.96 -0.81 0.00 0.00 175.30 175.69 1nr3 s ILE 52 N 1.11 0.03 0.03 4.11 -4.36 0.31 -4.76 121.20 117.66 1nr3 s ILE 52 Ca -0.06 -0.22 -0.01 0.00 -0.26 0.00 0.00 60.65 60.10 1nr3 s ILE 52 Cb -0.05 -0.76 -0.04 0.00 1.25 0.00 0.00 42.46 42.86 1nr3 s ILE 52 CO -0.11 -0.12 0.19 -0.22 0.24 0.00 0.00 174.94 174.92 1nr3 s LEU 53 N -0.97 4.35 -0.16 0.37 2.96 -1.26 -0.91 118.68 123.06 1nr3 s LEU 53 Ca -0.10 0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 54.06 1nr3 s LEU 53 Cb -0.03 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 1nr3 s LEU 53 CO 0.06 0.21 -0.01 0.00 -1.32 0.00 0.00 176.35 175.28 1nr3 n ARG 55 N 3.49 1.37 -1.64 0.00 5.12 -1.26 -0.99 116.66 122.75 1nr3 n ARG 55 Ca -0.17 -1.17 -0.49 0.00 -1.93 0.00 0.00 57.85 54.08 1nr3 n ARG 55 Cb 0.52 0.20 -0.05 0.00 -1.16 0.00 0.00 32.46 31.98 1nr3 n ARG 55 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1nr3 n ARG 56 N -0.73 1.70 0.10 5.56 1.85 -1.26 -4.63 116.66 119.25 1nr3 n ARG 56 Ca -0.03 0.62 0.20 0.00 -1.00 0.00 0.00 57.85 57.63 1nr3 n ARG 56 Cb 0.21 -2.34 0.75 0.00 -1.05 0.00 0.00 32.46 30.03 1nr3 n ARG 56 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1nr3 h GLY 57 N 5.79 0.00 2.00 2.89 0.00 -1.86 0.55 103.07 112.45 1nr3 h GLY 57 Ca -0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1nr3 h GLY 57 CO 0.86 0.00 -0.10 -1.80 0.00 0.00 0.00 176.54 175.49 1nr3 h ASP 58 N 0.00 0.00 -0.42 0.19 -0.00 -1.92 -0.42 116.42 113.85 1nr3 h ASP 58 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.22 1nr3 h ASP 58 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.31 1nr3 h ASP 58 CO -0.00 0.10 0.00 1.07 -0.00 0.00 0.00 179.24 180.41 1nr3 n THR 59 N -4.41 0.76 -0.33 2.25 5.66 0.19 -4.51 114.28 113.88 1nr3 n THR 59 Ca -0.03 -0.88 0.14 0.00 -3.05 0.00 0.00 64.05 60.23 1nr3 n THR 59 Cb 0.18 0.71 0.33 0.00 -1.55 0.00 0.00 70.33 69.99 1nr3 n THR 59 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1nr3 h LEU 60 N 3.22 0.57 -0.28 1.09 5.85 -0.18 1.88 115.31 127.46 1nr3 h LEU 60 Ca 0.00 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1nr3 h LEU 60 Cb 0.83 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 1nr3 h LEU 60 CO 0.00 0.12 -0.02 -2.24 -0.34 0.00 0.00 178.44 175.95 1nr3 h ASP 61 N 0.56 -0.16 0.00 1.25 2.03 -1.79 0.41 116.42 118.72 1nr3 h ASP 61 Ca 0.58 0.07 -0.23 0.00 -0.73 0.00 0.00 57.03 56.72 1nr3 h ASP 61 Cb 1.04 0.13 0.01 0.00 -0.83 0.00 0.00 39.33 39.68 1nr3 h ASP 61 CO -0.46 -0.05 -0.86 -0.08 -1.03 0.00 0.00 179.24 176.76 1nr3 h GLU 62 N 0.05 0.68 -0.04 4.15 4.81 -0.81 -2.96 114.58 120.46 1nr3 h GLU 62 Ca 0.14 -0.61 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1nr3 h GLU 62 Cb 0.19 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1nr3 h GLU 62 CO -0.25 1.22 0.04 0.97 -0.73 0.00 0.00 179.01 180.26 1nr3 h ILE 63 N 0.43 0.58 -0.06 2.32 -0.00 0.33 -0.94 117.51 120.18 1nr3 h ILE 63 Ca -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.78 1nr3 h ILE 63 Cb 1.49 0.97 -0.00 0.00 -0.00 0.00 0.00 36.82 39.28 1nr3 h ILE 63 CO 0.17 0.00 0.02 0.40 -0.00 0.00 0.00 178.15 178.74 1nr3 h ILE 64 N 0.00 1.15 -0.23 2.19 2.04 -0.03 1.08 117.51 123.71 1nr3 h ILE 64 Ca 0.02 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 1nr3 h ILE 64 Cb 0.10 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1nr3 h ILE 64 CO -0.00 0.12 -0.19 0.07 0.00 0.00 0.00 178.15 178.15 1nr3 h LYS 65 N -0.08 0.40 -0.08 2.37 2.10 -1.28 0.24 116.57 120.24 1nr3 h LYS 65 Ca 0.02 -0.12 -0.18 0.00 -2.00 0.00 0.00 60.65 58.36 1nr3 h LYS 65 Cb 0.18 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1nr3 h LYS 65 CO -0.00 0.58 -0.73 0.00 -2.00 0.00 0.00 179.45 177.30 1nr3 h ARG 66 N 0.36 0.40 -0.04 0.07 2.47 -0.80 -2.99 114.38 113.84 1nr3 h ARG 66 Ca 0.06 -0.33 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 1nr3 h ARG 66 Cb 0.54 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1nr3 h ARG 66 CO 0.04 0.96 -0.03 -0.07 0.56 0.00 0.00 179.97 181.43 1nr3 h LEU 67 N 0.27 0.10 -0.83 3.04 3.38 0.17 -3.04 115.31 118.40 1nr3 h LEU 67 Ca -0.03 -0.44 0.20 0.00 0.09 0.00 0.00 57.88 57.70 1nr3 h LEU 67 Cb 1.30 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.90 1nr3 h LEU 67 CO 0.12 0.52 0.25 0.17 0.09 0.00 0.00 178.44 179.60 1nr3 h LEU 68 N -0.32 0.09 -2.15 1.67 8.10 -0.98 1.80 115.31 123.51 1nr3 h LEU 68 Ca 0.01 0.17 0.06 0.00 0.11 0.00 0.00 57.88 58.23 1nr3 h LEU 68 Cb 0.49 0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.90 1nr3 h LEU 68 CO 0.01 -0.07 0.29 -0.33 -4.11 0.00 0.00 178.44 174.23 1nr3 h GLU 69 N 0.29 0.00 0.07 0.17 4.39 -1.40 2.31 114.58 120.40 1nr3 h GLU 69 Ca 0.50 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.83 1nr3 h GLU 69 Cb 0.94 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.55 1nr3 h GLU 69 CO -0.57 0.00 -2.13 0.39 -1.16 0.00 0.00 179.01 175.54 1nr3 n GLU 70 N -3.61 0.70 -0.02 2.33 -0.58 0.56 -3.98 120.64 116.05 1nr3 n GLU 70 Ca 0.03 0.25 -0.01 0.00 -0.42 0.00 0.00 57.16 57.01 1nr3 n GLU 70 Cb 0.41 -1.64 -0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1nr3 n GLU 70 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1nr3 h SER 71 N -0.08 0.00 -1.93 1.62 0.02 0.12 -3.31 113.55 109.99 1nr3 h SER 71 Ca -0.48 0.00 0.57 0.00 -0.84 0.00 0.00 61.79 61.03 1nr3 h SER 71 Cb 1.92 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 64.38 1nr3 h SER 71 CO -0.01 0.18 1.38 -3.20 -1.14 0.00 0.00 176.83 174.04 1nr3 n ASN 72 N -2.87 0.02 0.21 3.07 5.15 0.77 0.20 115.26 121.81 1nr3 n ASN 72 Ca -0.01 1.02 -0.15 0.00 -0.60 0.00 0.00 54.58 54.84 1nr3 n ASN 72 Cb 0.04 -0.51 -0.08 0.00 -0.53 0.00 0.00 39.78 38.70 1nr3 n ASN 72 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1nr3 h LYS 73 N 0.00 -0.47 -0.30 1.20 1.79 -1.58 -2.38 116.57 114.83 1nr3 h LYS 73 Ca 0.94 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.44 1nr3 h LYS 73 Cb 3.71 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 34.47 1nr3 h LYS 73 CO -0.05 -0.29 0.00 -0.85 -1.08 0.00 0.00 179.45 177.18 1nr3 n GLU 74 N -5.29 1.92 -1.92 3.15 -0.00 0.53 -4.90 120.64 114.13 1nr3 n GLU 74 Ca -0.11 -1.40 0.00 0.00 -0.00 0.00 0.00 57.16 55.65 1nr3 n GLU 74 Cb 0.22 -1.38 0.00 0.00 -0.00 0.00 0.00 31.44 30.28 1nr3 n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nr3 n GLY 75 N 1.19 4.26 3.94 -1.84 0.00 0.28 -5.07 105.19 107.95 1nr3 n GLY 75 Ca 0.16 -2.03 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 1nr3 n GLY 75 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nr3 s ILE 76 N -1.25 4.18 -0.65 -0.61 1.10 -1.26 -4.73 121.20 117.98 1nr3 s ILE 76 Ca 0.00 -0.35 -0.27 0.00 -0.51 0.00 0.00 60.65 59.52 1nr3 s ILE 76 Cb 0.00 -3.56 -0.12 0.00 0.15 0.00 0.00 42.46 38.93 1nr3 s ILE 76 CO 0.00 -0.43 2.48 1.57 -2.11 0.00 0.00 174.94 176.45 1nr3 n HIS 77 N -2.13 1.17 -4.22 3.50 -0.00 -1.26 -4.69 115.22 107.58 1nr3 n HIS 77 Ca 0.01 0.17 -0.17 0.00 0.46 0.00 0.00 57.72 58.19 1nr3 n HIS 77 Cb 0.57 -2.52 -0.15 0.00 -0.12 0.00 0.00 29.99 27.77 1nr3 n HIS 77 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1nr3 s VAL 78 N 11.38 0.52 -0.52 3.57 1.01 -1.26 -4.85 120.40 130.24 1nr3 s VAL 78 Ca 1.08 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.83 1nr3 s VAL 78 Cb -0.45 -0.45 0.41 0.00 0.00 0.00 0.00 36.38 35.90 1nr3 s VAL 78 CO 0.31 0.15 1.37 2.30 0.00 0.00 0.00 175.10 179.23 1nr3 n ILE 79 N 3.03 2.72 -2.41 2.22 -5.35 -1.26 -4.86 119.36 113.45 1nr3 n ILE 79 Ca -0.14 -4.62 -0.25 0.00 -0.27 0.00 0.00 62.75 57.46 1nr3 n ILE 79 Cb 0.57 -1.24 0.04 0.00 -1.74 0.00 0.00 39.64 37.27 1nr3 n ILE 79 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1nr3 s HIS 80 N -3.68 3.09 0.45 4.28 3.76 -1.26 -4.45 115.29 117.47 1nr3 s HIS 80 Ca 0.50 0.46 0.07 0.00 -0.15 0.00 0.00 55.06 55.93 1nr3 s HIS 80 Cb 0.42 -2.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.23 1nr3 s HIS 80 CO -0.21 -0.98 0.29 -0.51 -0.85 0.00 0.00 174.74 172.48 1nr3 s ASP 81 N -4.38 4.66 0.35 1.40 1.11 -1.26 -4.87 116.67 113.68 1nr3 s ASP 81 Ca 0.56 -1.02 0.09 0.00 0.18 0.00 0.00 52.55 52.36 1nr3 s ASP 81 Cb -0.11 -0.29 0.67 0.00 1.07 0.00 0.00 42.92 44.26 1nr3 s ASP 81 CO 0.43 -0.71 1.82 0.28 1.18 0.00 0.00 175.17 178.18 1nr3 h SER 82 N 1.15 0.17 0.10 0.27 0.02 -1.92 0.26 113.55 113.59 1nr3 h SER 82 Ca -0.41 -0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.34 1nr3 h SER 82 Cb 1.27 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1nr3 h SER 82 CO 0.63 0.46 -0.54 0.40 -1.14 0.00 0.00 176.83 176.64 1nr3 h ILE 83 N 0.15 1.33 0.04 3.27 2.04 -1.95 -2.71 117.51 119.68 1nr3 h ILE 83 Ca 0.02 -1.80 -0.23 0.00 1.00 0.00 0.00 64.86 63.85 1nr3 h ILE 83 Cb 0.59 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1nr3 h ILE 83 CO 0.04 0.55 -1.01 0.74 0.00 0.00 0.00 178.15 178.47 1nr3 h THR 84 N 0.37 1.50 -0.98 -0.27 2.02 -1.80 -3.10 112.91 110.64 1nr3 h THR 84 Ca 0.01 -2.81 0.03 0.00 0.77 0.00 0.00 66.41 64.41 1nr3 h THR 84 Cb 1.07 2.64 -0.05 0.00 -1.74 0.00 0.00 68.15 70.07 1nr3 h THR 84 CO 0.10 0.82 0.64 -0.07 0.37 0.00 0.00 175.52 177.38 1nr3 h LEU 85 N 0.11 1.09 -0.59 2.58 4.07 -0.39 1.25 115.31 123.43 1nr3 h LEU 85 Ca -0.07 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.83 1nr3 h LEU 85 Cb 1.69 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 43.14 1nr3 h LEU 85 CO 0.16 0.77 0.22 0.00 -1.08 0.00 0.00 178.44 178.50 1nr3 h ALA 86 N 1.38 0.77 0.09 1.53 0.00 -1.48 0.62 119.26 122.16 1nr3 h ALA 86 Ca 0.38 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1nr3 h ALA 86 Cb -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1nr3 h ALA 86 CO -0.10 0.40 -0.04 0.35 0.00 0.00 0.00 179.25 179.85 1nr3 h PHE 87 N 0.82 -0.11 -0.08 0.00 3.57 -1.20 0.39 116.94 120.33 1nr3 h PHE 87 Ca 0.19 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1nr3 h PHE 87 Cb 0.23 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1nr3 h PHE 87 CO 0.01 0.39 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.37 1nr3 h LEU 88 N -0.69 -0.13 -0.09 0.59 4.07 0.16 -2.55 115.31 116.67 1nr3 h LEU 88 Ca -0.01 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1nr3 h LEU 88 Cb 0.55 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.36 1nr3 h LEU 88 CO 0.02 -0.06 0.04 0.40 -1.08 0.00 0.00 178.44 177.77 1nr3 h ILE 89 N -0.03 1.12 -1.40 1.22 2.04 0.19 -2.27 117.51 118.38 1nr3 h ILE 89 Ca 0.05 -0.34 0.48 0.00 1.00 0.00 0.00 64.86 66.04 1nr3 h ILE 89 Cb 0.10 1.18 -0.13 0.00 -0.74 0.00 0.00 36.82 37.23 1nr3 h ILE 89 CO -0.10 0.10 0.91 0.54 0.00 0.00 0.00 178.15 179.60 1nr3 n ARG 90 N -4.95 -0.03 -0.00 2.37 1.74 0.14 0.37 116.66 116.29 1nr3 n ARG 90 Ca -0.06 1.21 -0.17 0.00 -0.77 0.00 0.00 57.85 58.06 1nr3 n ARG 90 Cb 0.09 -2.41 -0.10 0.00 -1.02 0.00 0.00 32.46 29.02 1nr3 n ARG 90 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1nr3 h GLU 91 N 0.00 0.47 -0.01 5.56 4.39 -1.08 0.65 114.58 124.56 1nr3 h GLU 91 Ca 0.86 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1nr3 h GLU 91 Cb 2.86 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 31.63 1nr3 h GLU 91 CO -0.41 1.10 -0.04 0.36 -1.16 0.00 0.00 179.01 178.86 1nr3 n LYS 92 N -4.20 1.17 -2.66 2.33 2.85 0.67 -4.53 118.16 113.79 1nr3 n LYS 92 Ca -0.10 -0.45 -0.01 0.00 -1.05 0.00 0.00 58.31 56.70 1nr3 n LYS 92 Cb 0.66 -1.49 0.03 0.00 -0.65 0.00 0.00 35.03 33.58 1nr3 n LYS 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nr3 s ALA 93 N -2.14 -4.92 -1.30 0.58 0.00 1.17 -4.92 121.76 110.23 1nr3 s ALA 93 Ca 0.38 1.08 0.14 0.00 0.00 0.00 0.00 51.96 53.56 1nr3 s ALA 93 Cb 0.21 -3.05 0.67 0.00 0.00 0.00 0.00 23.12 20.95 1nr3 s ALA 93 CO 0.39 -2.57 1.40 0.45 0.00 0.00 0.00 175.76 175.42 1nr3 n SER 94 N 2.94 0.00 0.00 0.00 2.88 0.22 -3.55 113.62 116.12 1nr3 n SER 94 Ca 0.08 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1nr3 n SER 94 Cb 0.66 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1nr3 n SER 94 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1nr3 n HIS 95 N -1.35 0.00 -2.51 0.66 -0.00 -1.26 -4.82 115.22 105.94 1nr3 n HIS 95 Ca 0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.36 1nr3 n HIS 95 Cb 0.13 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.99 29.94 1nr3 n HIS 95 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1nr3 s ARG 96 N -0.90 3.38 0.21 1.57 1.70 -1.23 -4.98 118.95 118.70 1nr3 s ARG 96 Ca 0.00 0.23 0.06 0.00 -0.47 0.00 0.00 55.73 55.54 1nr3 s ARG 96 Cb 0.00 -4.08 -0.05 0.00 -0.57 0.00 0.00 34.95 30.25 1nr3 s ARG 96 CO 0.00 -1.86 -0.09 0.42 -1.08 0.00 0.00 175.30 172.69 1nr3 s ILE 97 N 5.50 1.43 -0.27 4.99 1.01 -1.26 -4.74 121.20 127.86 1nr3 s ILE 97 Ca 0.45 -2.12 -0.05 0.00 0.00 0.00 0.00 60.65 58.92 1nr3 s ILE 97 Cb -0.09 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1nr3 s ILE 97 CO 0.23 -0.52 0.03 0.54 0.00 0.00 0.00 174.94 175.22 1nr3 s VAL 98 N -3.17 3.69 0.38 2.92 0.11 -1.26 -5.04 120.40 118.04 1nr3 s VAL 98 Ca 0.24 -0.68 -0.05 0.00 -2.93 0.00 0.00 61.98 58.55 1nr3 s VAL 98 Cb 0.02 -2.85 0.08 0.00 -1.53 0.00 0.00 36.38 32.11 1nr3 s VAL 98 CO 0.07 0.18 0.52 1.41 -3.33 0.00 0.00 175.10 173.94 1nr3 n HIS 99 N 4.82 -3.78 -3.16 1.54 8.25 -1.26 -4.43 115.22 117.19 1nr3 n HIS 99 Ca -0.16 -0.55 0.03 0.00 -0.26 0.00 0.00 57.72 56.78 1nr3 n HIS 99 Cb 0.49 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1nr3 n HIS 99 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1nr3 s ARG 100 N -4.02 0.55 0.08 -0.41 3.03 -1.26 -4.96 118.95 111.96 1nr3 s ARG 100 Ca 0.30 0.96 0.04 0.00 2.03 0.00 0.00 55.73 59.06 1nr3 s ARG 100 Cb -0.01 0.48 -0.04 0.00 -1.03 0.00 0.00 34.95 34.35 1nr3 s ARG 100 CO 0.21 -0.64 0.04 0.54 -1.13 0.00 0.00 175.30 174.32 1nr3 s VAL 101 N 2.84 4.26 -0.59 4.99 0.11 -1.26 -4.94 120.40 125.81 1nr3 s VAL 101 Ca 0.20 -0.85 0.04 0.00 -2.93 0.00 0.00 61.98 58.44 1nr3 s VAL 101 Cb -0.15 -3.03 0.14 0.00 -1.53 0.00 0.00 36.38 31.82 1nr3 s VAL 101 CO -0.21 0.15 0.35 0.54 -3.33 0.00 0.00 175.10 172.60 1nr3 s VAL 102 N -1.32 2.76 0.00 2.04 0.11 -1.26 -3.51 120.40 119.21 1nr3 s VAL 102 Ca 0.27 -3.62 0.00 0.00 -2.93 0.00 0.00 61.98 55.69 1nr3 s VAL 102 Cb -0.12 -2.87 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 1nr3 s VAL 102 CO 0.19 -0.87 0.00 1.17 -3.33 0.00 0.00 175.10 172.26 1nr3 n LYS 103 N 2.75 0.00 -4.36 1.54 4.81 -1.26 -4.78 118.16 116.86 1nr3 n LYS 103 Ca 0.10 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.34 1nr3 n LYS 103 Cb 0.33 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.30 1nr3 n LYS 103 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1nr3 s SER 104 N -1.27 1.84 0.13 3.14 0.15 -1.26 -5.02 113.70 111.40 1nr3 s SER 104 Ca 0.00 -1.65 -0.18 0.00 0.70 0.00 0.00 55.95 54.83 1nr3 s SER 104 Cb 0.00 0.47 -0.07 0.00 -1.71 0.00 0.00 66.02 64.71 1nr3 s SER 104 CO 0.00 -0.95 0.60 -0.62 1.20 0.00 0.00 173.24 173.46 1nr3 s ASP 105 N -3.42 6.99 0.15 5.45 -1.08 -1.26 -4.44 116.67 119.06 1nr3 s ASP 105 Ca 0.34 1.24 -0.02 0.00 -0.52 0.00 0.00 52.55 53.59 1nr3 s ASP 105 Cb 0.04 -2.35 -0.04 0.00 -1.46 0.00 0.00 42.92 39.11 1nr3 s ASP 105 CO 0.20 0.17 0.10 0.12 0.52 0.00 0.00 175.17 176.28 1nr3 s PHE 106 N -1.31 0.85 0.01 -5.34 5.36 -0.16 -4.05 117.98 113.34 1nr3 s PHE 106 Ca 0.35 -1.20 0.01 0.00 -0.96 0.00 0.00 56.93 55.14 1nr3 s PHE 106 Cb -0.18 -0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 42.06 1nr3 s PHE 106 CO 0.20 -0.57 -0.05 -1.83 -1.46 0.00 0.00 175.22 171.51 1nr3 s GLU 107 N -4.06 0.36 -0.13 10.12 4.04 0.15 0.12 118.70 129.31 1nr3 s GLU 107 Ca 0.26 -0.34 -0.09 0.00 0.04 0.00 0.00 54.97 54.84 1nr3 s GLU 107 Cb 0.07 -0.25 0.04 0.00 0.02 0.00 0.00 34.13 34.01 1nr3 s GLU 107 CO 0.03 0.06 0.32 0.42 -1.84 0.00 0.00 175.26 174.25 1nr3 s ILE 108 N -0.55 -0.02 0.12 1.83 1.09 -0.09 -1.95 121.20 121.63 1nr3 s ILE 108 Ca -0.03 0.07 -0.25 0.00 -1.10 0.00 0.00 60.65 59.34 1nr3 s ILE 108 Cb -0.04 -0.47 0.07 0.00 -1.06 0.00 0.00 42.46 40.96 1nr3 s ILE 108 CO -0.00 0.03 0.80 -0.83 -0.10 0.00 0.00 174.94 174.84 1nr3 s GLY 109 N 0.83 -0.39 0.23 6.18 0.00 -0.47 -0.53 107.32 113.17 1nr3 s GLY 109 Ca -0.05 0.45 -0.02 0.00 0.00 0.00 0.00 44.72 45.10 1nr3 s GLY 109 CO -0.06 0.14 0.21 0.54 0.00 0.00 0.00 173.10 173.94 1nr3 s VAL 110 N -3.46 0.00 -0.02 1.40 0.11 0.88 -0.14 120.40 119.17 1nr3 s VAL 110 Ca 0.07 -1.90 0.02 0.00 -2.93 0.00 0.00 61.98 57.24 1nr3 s VAL 110 Cb -0.02 -2.47 -0.03 0.00 -1.53 0.00 0.00 36.38 32.34 1nr3 s VAL 110 CO -0.05 0.00 0.01 0.35 -3.33 0.00 0.00 175.10 172.08 1nr3 n THR 111 N -0.35 0.16 0.00 5.04 -2.24 -1.26 -0.37 114.28 115.27 1nr3 n THR 111 Ca 0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1nr3 n THR 111 Cb 0.65 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1nr3 n THR 111 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nr3 n ARG 112 N -2.07 0.00 0.00 -0.78 1.74 -1.26 -1.97 116.66 112.32 1nr3 n ARG 112 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1nr3 n ARG 112 Cb 0.56 -0.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1nr3 n ARG 112 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1nr3 n ASP 113 N -2.29 0.00 0.00 0.55 10.43 -1.26 -4.37 116.55 119.61 1nr3 n ASP 113 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1nr3 n ASP 113 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1nr3 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nr3 n GLY 114 N 0.00 -0.55 3.83 0.44 0.00 -1.26 -4.55 105.19 103.11 1nr3 n GLY 114 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1nr3 n GLY 114 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nr3 s GLU 115 N -1.11 3.70 0.06 1.61 -1.05 -1.26 -4.92 118.70 115.72 1nr3 s GLU 115 Ca 0.00 1.04 -0.00 0.00 -0.15 0.00 0.00 54.97 55.85 1nr3 s GLU 115 Cb 0.00 -2.09 -0.04 0.00 -0.44 0.00 0.00 34.13 31.56 1nr3 s GLU 115 CO 0.00 -0.49 -0.04 0.96 0.95 0.00 0.00 175.26 176.64 1nr3 s ILE 116 N -2.59 0.32 -0.01 1.83 -5.25 -1.26 -4.04 121.20 110.20 1nr3 s ILE 116 Ca 0.60 -1.79 0.04 0.00 -0.99 0.00 0.00 60.65 58.51 1nr3 s ILE 116 Cb -0.12 -1.49 -0.01 0.00 2.95 0.00 0.00 42.46 43.78 1nr3 s ILE 116 CO 0.34 -0.95 -0.13 0.27 -1.79 0.00 0.00 174.94 172.68 1nr3 s ILE 117 N -3.73 1.06 0.03 8.37 -4.36 0.80 -4.98 121.20 118.39 1nr3 s ILE 117 Ca 0.07 -0.61 -0.09 0.00 -0.26 0.00 0.00 60.65 59.75 1nr3 s ILE 117 Cb 0.07 -0.89 0.00 0.00 1.25 0.00 0.00 42.46 42.89 1nr3 s ILE 117 CO -0.08 0.27 0.19 0.68 0.24 0.00 0.00 174.94 176.23 1nr3 s VAL 118 N -0.37 0.10 0.33 8.37 -7.23 -1.25 -1.36 120.40 118.99 1nr3 s VAL 118 Ca 0.05 -0.86 -0.18 0.00 -1.81 0.00 0.00 61.98 59.17 1nr3 s VAL 118 Cb -0.05 -0.83 0.05 0.00 0.56 0.00 0.00 36.38 36.10 1nr3 s VAL 118 CO -0.00 -0.48 0.81 -0.62 -0.31 0.00 0.00 175.10 174.50 1nr3 s ASP 119 N -1.96 -0.07 0.00 4.85 -1.08 -0.82 -4.88 116.67 112.70 1nr3 s ASP 119 Ca -0.07 -0.92 0.08 0.00 -0.52 0.00 0.00 52.55 51.13 1nr3 s ASP 119 Cb -0.02 0.77 0.09 0.00 -1.46 0.00 0.00 42.92 42.30 1nr3 s ASP 119 CO -0.03 -1.49 0.84 0.00 0.52 0.00 0.00 175.17 175.01 1nr3 n LEU 120 N -0.53 1.86 -4.19 -1.34 -0.00 -1.26 0.31 117.00 111.86 1nr3 n LEU 120 Ca -0.07 -1.16 -0.34 0.00 -0.00 0.00 0.00 56.01 54.44 1nr3 n LEU 120 Cb 0.60 -0.03 -0.08 0.00 -0.00 0.00 0.00 43.42 43.91 1nr3 n LEU 120 CO 0.22 0.39 -0.27 -3.20 -0.00 0.00 0.00 177.39 174.54 1nr3 n ASN 121 N 0.44 -0.57 0.00 1.45 2.85 -1.26 -4.02 115.26 114.15 1nr3 n ASN 121 Ca 0.06 -1.13 0.00 0.00 -0.11 0.00 0.00 54.58 53.39 1nr3 n ASN 121 Cb 0.24 -1.43 0.00 0.00 1.24 0.00 0.00 39.78 39.83 1nr3 n ASN 121 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91