#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 0.45 -4.41 0.03 0.63 -1.26 -4.97 116.66 107.12 1nr3 n ARG 2 Ca 0.00 -0.61 -0.21 0.00 -0.92 0.00 0.00 57.85 56.11 1nr3 n ARG 2 Cb 0.00 0.34 -0.10 0.00 0.45 0.00 0.00 32.46 33.15 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 0.04 1.51 -0.29 -0.14 8.01 -1.26 -5.11 118.70 121.46 1nr3 s GLU 3 Ca 0.03 -1.72 -0.24 0.00 0.01 0.00 0.00 54.97 53.04 1nr3 s GLU 3 Cb 0.15 -1.28 0.00 0.00 -4.31 0.00 0.00 34.13 28.69 1nr3 s GLU 3 CO -0.04 0.15 0.84 1.03 0.01 0.00 0.00 175.26 177.24 1nr3 s ARG 4 N -3.65 4.03 0.00 1.61 3.00 -1.26 -4.55 118.95 118.14 1nr3 s ARG 4 Ca 0.27 0.74 0.00 0.00 0.00 0.00 0.00 55.73 56.75 1nr3 s ARG 4 Cb 0.01 -3.71 0.00 0.00 0.00 0.00 0.00 34.95 31.25 1nr3 s ARG 4 CO 0.11 -0.66 0.00 0.41 0.00 0.00 0.00 175.30 175.15 1nr3 n GLY 5 N 4.04 -1.74 3.41 -3.53 0.00 -1.26 -4.93 105.19 101.18 1nr3 n GLY 5 Ca 0.05 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 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 0.58 -2.72 0.03 1.61 4.27 -1.26 -4.91 117.44 115.03 1nr3 n TRP 6 Ca 0.00 1.14 0.00 0.00 -3.89 0.00 0.00 57.50 54.75 1nr3 n TRP 6 Cb 0.00 -2.05 0.00 0.00 -1.36 0.00 0.00 31.31 27.90 1nr3 n TRP 6 CO 0.00 0.00 0.00 0.43 -2.29 0.00 0.00 177.69 175.83 1nr3 n SER 7 N -0.15 -0.02 -2.67 -0.67 7.64 -1.26 -4.79 113.62 111.70 1nr3 n SER 7 Ca -0.06 0.09 -0.09 0.00 1.01 0.00 0.00 58.87 59.83 1nr3 n SER 7 Cb 0.65 0.07 0.03 0.00 -1.01 0.00 0.00 64.21 63.95 1nr3 n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nr3 n GLN 8 N -2.71 1.20 0.00 1.43 1.13 -1.26 -0.50 117.38 116.67 1nr3 n GLN 8 Ca 0.00 -3.28 0.00 0.00 -1.94 0.00 0.00 57.00 51.78 1nr3 n GLN 8 Cb 0.02 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.09 1nr3 n GLN 8 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1nr3 n LYS 9 N -0.10 0.00 0.00 -1.09 4.01 -1.26 -5.06 118.16 114.66 1nr3 n LYS 9 Ca 0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 1nr3 n LYS 9 Cb 0.82 -0.42 0.00 0.00 -0.51 0.00 0.00 35.03 34.91 1nr3 n LYS 9 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1nr3 n LYS 10 N -0.40 0.00 -0.06 1.97 3.00 -1.26 -4.90 118.16 116.50 1nr3 n LYS 10 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 1nr3 n LYS 10 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.08 1nr3 n LYS 10 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1nr3 n ILE 11 N -1.20 0.17 -0.57 3.15 5.41 -1.26 -4.14 119.36 120.92 1nr3 n ILE 11 Ca 0.00 -0.15 0.46 0.00 1.00 0.00 0.00 62.75 64.06 1nr3 n ILE 11 Cb 0.00 -0.01 0.75 0.00 -0.71 0.00 0.00 39.64 39.67 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 3.06 3.34 0.73 -1.39 0.00 -1.94 0.70 119.26 123.77 1nr3 h ALA 12 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1nr3 h ALA 12 Cb 0.22 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1nr3 h ALA 12 CO 0.01 -1.93 -0.39 0.00 0.00 0.00 0.00 179.25 176.94 1nr3 h ARG 13 N 0.02 -0.99 0.00 0.00 3.08 -1.95 0.39 114.38 114.94 1nr3 h ARG 13 Ca 0.88 0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.99 1nr3 h ARG 13 Cb 3.20 0.23 -0.00 0.00 0.08 0.00 0.00 29.97 33.47 1nr3 h ARG 13 CO -0.20 -0.66 -0.00 1.49 -1.07 0.00 0.00 179.97 179.52 1nr3 h GLU 14 N -1.03 0.00 0.20 0.04 4.81 0.03 -1.44 114.58 117.19 1nr3 h GLU 14 Ca -0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1nr3 h GLU 14 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1nr3 h GLU 14 CO 0.14 0.00 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.25 1nr3 h LEU 15 N 0.00 -0.23 -1.99 1.64 4.07 -0.36 -0.52 115.31 117.93 1nr3 h LEU 15 Ca -0.00 -0.22 0.20 0.00 0.08 0.00 0.00 57.88 57.94 1nr3 h LEU 15 Cb 0.01 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 1nr3 h LEU 15 CO 0.00 0.31 0.53 0.07 -1.08 0.00 0.00 178.44 178.26 1nr3 h LYS 16 N -0.98 0.00 0.00 1.13 2.10 0.25 0.91 116.57 119.98 1nr3 h LYS 16 Ca -0.03 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.45 1nr3 h LYS 16 Cb 0.43 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.74 1nr3 h LYS 16 CO 0.05 0.00 -0.89 1.15 -2.00 0.00 0.00 179.45 177.75 1nr3 h THR 17 N 0.00 1.17 -2.49 0.07 2.02 -1.25 -3.46 112.91 108.97 1nr3 h THR 17 Ca 0.33 -2.72 -0.18 0.00 0.77 0.00 0.00 66.41 64.61 1nr3 h THR 17 Cb 1.38 2.55 0.09 0.00 -1.74 0.00 0.00 68.15 70.42 1nr3 h THR 17 CO -0.00 0.66 0.10 1.07 0.37 0.00 0.00 175.52 177.72 1nr3 n THR 18 N -3.22 0.00 -0.34 3.16 5.66 0.32 -4.96 114.28 114.89 1nr3 n THR 18 Ca -0.01 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 1nr3 n THR 18 Cb 0.85 -1.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.32 1nr3 n THR 18 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1nr3 n ARG 19 N -2.77 0.00 -3.11 1.09 1.85 -1.26 -4.97 116.66 107.49 1nr3 n ARG 19 Ca 0.07 0.34 -0.24 0.00 -1.00 0.00 0.00 57.85 57.02 1nr3 n ARG 19 Cb 0.26 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.63 1nr3 n ARG 19 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1nr3 n GLN 20 N 0.78 2.26 -1.78 2.89 0.00 -1.26 -4.83 117.38 115.43 1nr3 n GLN 20 Ca 0.00 -4.27 -0.12 0.00 0.00 0.00 0.00 57.00 52.61 1nr3 n GLN 20 Cb 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 30.24 28.21 1nr3 n GLN 20 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1nr3 n ASN 21 N 0.22 -4.13 -0.26 2.61 3.02 -1.26 -4.99 115.26 110.47 1nr3 n ASN 21 Ca 0.28 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 1nr3 n ASN 21 Cb 0.48 -3.01 0.00 0.00 -0.61 0.00 0.00 39.78 36.64 1nr3 n ASN 21 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1nr3 n VAL 22 N -3.33 0.00 -0.34 2.41 3.14 -1.26 -4.93 118.33 114.02 1nr3 n VAL 22 Ca -0.13 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.16 1nr3 n VAL 22 Cb 0.50 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.21 1nr3 n VAL 22 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1nr3 h SER 23 N 0.00 -1.89 -6.96 6.55 0.87 -1.99 -3.44 113.55 106.68 1nr3 h SER 23 Ca 0.00 0.30 -0.52 0.00 -1.23 0.00 0.00 61.79 60.34 1nr3 h SER 23 Cb 0.00 0.85 -0.07 0.00 -0.44 0.00 0.00 62.40 62.74 1nr3 h SER 23 CO 0.00 -0.28 -0.86 0.00 -0.53 0.00 0.00 176.83 175.16 1nr3 n ALA 24 N -3.25 -2.21 0.22 6.23 0.00 -1.26 -4.76 120.51 115.49 1nr3 n ALA 24 Ca 0.03 -0.47 0.06 0.00 0.00 0.00 0.00 53.44 53.06 1nr3 n ALA 24 Cb 0.31 -1.68 0.50 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.69 1.06 -0.27 0.00 2.04 -1.95 0.20 117.51 116.90 1nr3 h ILE 25 Ca -0.60 -0.80 -0.18 0.00 1.00 0.00 0.00 64.86 64.29 1nr3 h ILE 25 Cb 1.20 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1nr3 h ILE 25 CO 0.50 0.22 -0.54 1.05 0.00 0.00 0.00 178.15 179.38 1nr3 h GLU 26 N 0.00 0.83 -0.21 2.37 -0.00 -1.98 0.70 114.58 116.28 1nr3 h GLU 26 Ca -0.00 -0.54 -0.09 0.00 -0.00 0.00 0.00 59.36 58.73 1nr3 h GLU 26 Cb 0.42 0.07 -0.00 0.00 -0.00 0.00 0.00 28.75 29.24 1nr3 h GLU 26 CO 0.03 1.17 -0.21 0.00 -0.00 0.00 0.00 179.01 180.00 1nr3 h ARG 27 N 0.60 0.52 0.66 1.06 2.47 -1.76 -1.34 114.38 116.59 1nr3 h ARG 27 Ca 0.01 -0.27 -0.03 0.00 -1.26 0.00 0.00 59.98 58.43 1nr3 h ARG 27 Cb 1.15 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.48 1nr3 h ARG 27 CO 0.12 0.85 -0.32 0.87 0.56 0.00 0.00 179.97 182.05 1nr3 h LYS 28 N 0.20 -0.86 -0.70 0.04 6.56 -0.99 0.36 116.57 121.19 1nr3 h LYS 28 Ca 0.03 0.06 0.13 0.00 -1.06 0.00 0.00 60.65 59.81 1nr3 h LYS 28 Cb 0.75 0.19 -0.13 0.00 -0.57 0.00 0.00 32.23 32.48 1nr3 h LYS 28 CO 0.05 -0.57 -0.29 0.00 -2.06 0.00 0.00 179.45 176.58 1nr3 h ALA 29 N -1.42 0.16 0.00 3.86 0.00 -0.94 1.52 119.26 122.44 1nr3 h ALA 29 Ca -0.09 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nr3 h ALA 29 Cb 0.68 0.74 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1nr3 h ALA 29 CO 0.15 -0.58 -0.10 1.98 0.00 0.00 0.00 179.25 180.70 1nr3 h MET 30 N -0.09 0.00 -2.06 0.00 1.85 -1.20 -2.63 114.93 110.80 1nr3 h MET 30 Ca 0.29 0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 59.26 1nr3 h MET 30 Cb 0.56 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.54 1nr3 h MET 30 CO -0.75 0.10 -0.22 0.39 -0.40 0.00 0.00 176.91 176.03 1nr3 n GLU 31 N -3.57 1.55 -3.49 0.39 1.02 0.52 -4.63 120.64 112.44 1nr3 n GLU 31 Ca -0.02 -0.64 -0.23 0.00 -0.02 0.00 0.00 57.16 56.25 1nr3 n GLU 31 Cb 0.22 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 1nr3 n GLU 31 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nr3 n ASN 32 N 2.25 -2.60 -4.70 1.62 4.13 -1.17 -4.73 115.26 110.06 1nr3 n ASN 32 Ca 0.28 -0.42 -0.54 0.00 1.68 0.00 0.00 54.58 55.58 1nr3 n ASN 32 Cb 0.73 -2.21 -0.06 0.00 -1.54 0.00 0.00 39.78 36.69 1nr3 n ASN 32 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1nr3 n ILE 33 N -3.65 0.42 -2.09 2.41 3.06 -1.00 -4.68 119.36 113.84 1nr3 n ILE 33 Ca 0.02 -0.08 -0.00 0.00 -2.50 0.00 0.00 62.75 60.19 1nr3 n ILE 33 Cb 0.51 -1.51 0.00 0.00 0.54 0.00 0.00 39.64 39.19 1nr3 n ILE 33 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 1nr3 n GLU 34 N 5.92 0.07 -0.16 9.51 -0.00 -1.26 -4.95 120.64 129.76 1nr3 n GLU 34 Ca 0.25 -0.09 0.00 0.00 -0.00 0.00 0.00 57.16 57.32 1nr3 n GLU 34 Cb 0.20 0.24 0.00 0.00 -0.00 0.00 0.00 31.44 31.88 1nr3 n GLU 34 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1nr3 n LYS 35 N -0.07 0.15 -3.03 3.44 5.02 -1.26 -5.04 118.16 117.37 1nr3 n LYS 35 Ca -0.02 -0.75 -0.01 0.00 -2.02 0.00 0.00 58.31 55.51 1nr3 n LYS 35 Cb 0.43 -0.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 1nr3 n LYS 35 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1nr3 n SER 36 N -0.05 -7.61 -0.32 4.39 7.64 -1.26 -4.84 113.62 111.56 1nr3 n SER 36 Ca 0.00 -0.10 0.21 0.00 1.01 0.00 0.00 58.87 59.99 1nr3 n SER 36 Cb 0.56 -5.21 0.41 0.00 -1.01 0.00 0.00 64.21 58.95 1nr3 n SER 36 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1nr3 h ARG 37 N 0.37 0.15 0.00 1.43 9.65 -1.99 -3.44 114.38 120.55 1nr3 h ARG 37 Ca -0.03 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1nr3 h ARG 37 Cb 1.02 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1nr3 h ARG 37 CO 0.30 0.10 0.00 -1.71 2.80 0.00 0.00 179.97 181.46 1nr3 n ASN 38 N -5.24 -2.61 0.00 -3.80 5.15 -1.26 -4.97 115.26 102.52 1nr3 n ASN 38 Ca 0.28 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1nr3 n ASN 38 Cb 0.92 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 1nr3 n ASN 38 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1nr3 n THR 39 N -2.87 0.00 -0.44 -0.44 -1.04 -1.26 -1.48 114.28 106.75 1nr3 n THR 39 Ca 0.00 0.22 0.41 0.00 -2.04 0.00 0.00 64.05 62.64 1nr3 n THR 39 Cb 0.00 -0.49 0.77 0.00 -1.82 0.00 0.00 70.33 68.79 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 0.55 -4.42 -0.00 -1.93 0.46 115.31 109.97 1nr3 h LEU 40 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1nr3 h LEU 40 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1nr3 h LEU 40 CO 0.00 0.00 -0.26 -0.78 -0.00 0.00 0.00 178.44 177.40 1nr3 h ASP 41 N 0.00 -0.62 -0.82 0.17 3.58 -1.97 0.43 116.42 117.19 1nr3 h ASP 41 Ca 0.68 -0.05 0.20 0.00 0.42 0.00 0.00 57.03 58.28 1nr3 h ASP 41 Cb 2.74 0.16 -0.05 0.00 1.72 0.00 0.00 39.33 43.90 1nr3 h ASP 41 CO -0.01 -0.29 0.56 0.15 -2.88 0.00 0.00 179.24 176.78 1nr3 h PHE 42 N -0.98 0.30 0.00 0.28 3.57 0.10 0.87 116.94 121.08 1nr3 h PHE 42 Ca -0.08 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.36 1nr3 h PHE 42 Cb 0.64 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1nr3 h PHE 42 CO 0.00 0.09 -0.55 0.28 -2.23 0.00 0.00 178.31 175.90 1nr3 h VAL 43 N 0.23 0.51 -0.30 1.41 2.07 -1.03 -3.27 116.25 115.87 1nr3 h VAL 43 Ca 0.41 -1.76 -0.10 0.00 0.82 0.00 0.00 66.70 66.07 1nr3 h VAL 43 Cb 1.25 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1nr3 h VAL 43 CO -0.09 0.29 -0.21 0.07 0.02 0.00 0.00 177.57 177.64 1nr3 h LYS 44 N 0.00 0.67 -0.90 1.57 5.09 0.54 -2.98 116.57 120.57 1nr3 h LYS 44 Ca -0.03 -0.32 0.19 0.00 0.09 0.00 0.00 60.65 60.58 1nr3 h LYS 44 Cb 1.28 -0.00 -0.11 0.00 0.10 0.00 0.00 32.23 33.49 1nr3 h LYS 44 CO 0.04 0.93 0.44 1.03 -2.09 0.00 0.00 179.45 179.80 1nr3 h SER 45 N 0.42 0.46 -0.91 7.07 0.87 -1.18 -0.66 113.55 119.63 1nr3 h SER 45 Ca 0.06 0.13 0.13 0.00 -1.23 0.00 0.00 61.79 60.88 1nr3 h SER 45 Cb 0.76 0.07 -0.14 0.00 -0.44 0.00 0.00 62.40 62.65 1nr3 h SER 45 CO 0.06 0.11 -0.37 0.18 -0.53 0.00 0.00 176.83 176.27 1nr3 n LEU 46 N -4.95 -0.62 -2.75 2.23 4.77 -1.12 -4.84 117.00 109.72 1nr3 n LEU 46 Ca 0.21 1.58 -0.10 0.00 -0.03 0.00 0.00 56.01 57.67 1nr3 n LEU 46 Cb 0.58 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1nr3 n LEU 46 CO 0.17 -1.41 0.04 0.29 -1.33 0.00 0.00 177.39 175.14 1nr3 n LYS 47 N -5.31 -1.58 -3.54 3.23 5.02 -0.26 -5.00 118.16 110.72 1nr3 n LYS 47 Ca 0.09 0.66 -0.37 0.00 -2.02 0.00 0.00 58.31 56.66 1nr3 n LYS 47 Cb 0.35 -4.62 -0.06 0.00 -0.02 0.00 0.00 35.03 30.68 1nr3 n LYS 47 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1nr3 s SER 48 N -3.25 6.62 0.51 4.39 1.04 -1.25 -4.60 113.70 117.16 1nr3 s SER 48 Ca 0.31 0.74 -0.19 0.00 0.48 0.00 0.00 55.95 57.29 1nr3 s SER 48 Cb -0.04 -2.21 -0.08 0.00 0.10 0.00 0.00 66.02 63.79 1nr3 s SER 48 CO 0.53 0.23 1.04 -2.16 0.98 0.00 0.00 173.24 173.86 1nr3 s PRO 49 N -0.38 3.71 -0.09 4.02 0.04 -1.03 -4.23 135.00 137.03 1nr3 s PRO 49 Ca 0.21 1.31 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 1nr3 s PRO 49 Cb -0.15 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.35 1nr3 s PRO 49 CO 0.09 -0.50 0.47 0.08 0.04 0.00 0.00 177.00 177.18 1nr3 s VAL 50 N -2.10 0.02 -0.06 -0.36 1.01 0.69 -4.95 120.40 114.65 1nr3 s VAL 50 Ca 0.66 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1nr3 s VAL 50 Cb -0.16 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.52 1nr3 s VAL 50 CO 0.24 -0.10 0.15 -0.60 0.00 0.00 0.00 175.10 174.79 1nr3 s ARG 51 N -0.65 0.13 -0.03 2.72 3.52 -1.26 0.11 118.95 123.47 1nr3 s ARG 51 Ca -0.07 0.30 -0.22 0.00 -0.13 0.00 0.00 55.73 55.61 1nr3 s ARG 51 Cb -0.03 -0.06 0.04 0.00 -1.56 0.00 0.00 34.95 33.34 1nr3 s ARG 51 CO 0.04 -0.10 0.47 0.96 -0.81 0.00 0.00 175.30 175.86 1nr3 s ILE 52 N 0.69 0.03 -0.04 4.11 -4.36 -0.48 -4.72 121.20 116.44 1nr3 s ILE 52 Ca -0.05 -0.26 -0.04 0.00 -0.26 0.00 0.00 60.65 60.03 1nr3 s ILE 52 Cb -0.07 -0.78 -0.04 0.00 1.25 0.00 0.00 42.46 42.82 1nr3 s ILE 52 CO -0.03 -0.15 0.18 -0.22 0.24 0.00 0.00 174.94 174.96 1nr3 s LEU 53 N -1.22 4.38 -0.17 0.37 0.20 -1.26 -1.07 118.68 119.90 1nr3 s LEU 53 Ca -0.12 0.40 -0.04 0.00 0.69 0.00 0.00 54.13 55.05 1nr3 s LEU 53 Cb -0.03 -2.46 -0.03 0.00 -0.43 0.00 0.00 46.19 43.24 1nr3 s LEU 53 CO 0.07 0.30 -0.02 0.00 -0.29 0.00 0.00 176.35 176.41 1nr3 n ARG 55 N 3.81 1.26 -1.65 0.00 5.12 -1.26 -1.69 116.66 122.25 1nr3 n ARG 55 Ca -0.17 -1.37 -0.49 0.00 -1.93 0.00 0.00 57.85 53.89 1nr3 n ARG 55 Cb 0.52 0.21 -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 0.54 -1.93 0.00 0.00 177.63 176.24 1nr3 n ARG 56 N -0.88 1.76 -0.21 5.56 1.74 -1.26 -4.75 116.66 118.62 1nr3 n ARG 56 Ca -0.03 0.64 0.30 0.00 -0.77 0.00 0.00 57.85 57.99 1nr3 n ARG 56 Cb 0.25 -2.37 0.73 0.00 -1.02 0.00 0.00 32.46 30.05 1nr3 n ARG 56 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1nr3 h GLY 57 N 5.94 0.00 1.97 -0.13 0.00 -1.86 1.17 103.07 110.16 1nr3 h GLY 57 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1nr3 h GLY 57 CO 0.86 0.00 0.01 -1.80 0.00 0.00 0.00 176.54 175.62 1nr3 h ASP 58 N 0.00 0.00 -0.18 0.19 1.82 -1.93 0.26 116.42 116.58 1nr3 h ASP 58 Ca 0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 1nr3 h ASP 58 Cb 1.85 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.86 1nr3 h ASP 58 CO -0.00 0.00 0.00 1.07 -1.61 0.00 0.00 179.24 178.70 1nr3 n THR 59 N -3.22 0.69 -0.32 2.25 5.66 0.40 -4.62 114.28 115.12 1nr3 n THR 59 Ca -0.03 -0.85 0.11 0.00 -3.05 0.00 0.00 64.05 60.24 1nr3 n THR 59 Cb 0.09 0.71 0.29 0.00 -1.55 0.00 0.00 70.33 69.86 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 1.53 0.54 -0.24 1.09 5.85 0.09 1.99 115.31 126.15 1nr3 h LEU 60 Ca 0.00 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1nr3 h LEU 60 Cb 0.57 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1nr3 h LEU 60 CO 0.00 0.16 -0.06 -2.24 -0.34 0.00 0.00 178.44 175.96 1nr3 h ASP 61 N 0.58 -0.22 0.05 1.25 3.04 -1.82 0.44 116.42 119.75 1nr3 h ASP 61 Ca 0.53 0.07 -0.21 0.00 -3.24 0.00 0.00 57.03 54.19 1nr3 h ASP 61 Cb 0.88 0.15 0.00 0.00 -1.04 0.00 0.00 39.33 39.33 1nr3 h ASP 61 CO -0.43 -0.08 -0.78 -0.08 -2.04 0.00 0.00 179.24 175.84 1nr3 h GLU 62 N 0.00 0.61 0.00 4.15 4.81 -1.03 -2.89 114.58 120.23 1nr3 h GLU 62 Ca 0.12 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1nr3 h GLU 62 Cb 0.18 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1nr3 h GLU 62 CO -0.25 1.13 -0.03 0.97 -0.73 0.00 0.00 179.01 180.10 1nr3 h ILE 63 N 0.41 0.55 0.03 2.32 -0.00 0.37 -1.41 117.51 119.78 1nr3 h ILE 63 Ca -0.05 -0.11 -0.00 0.00 -0.00 0.00 0.00 64.86 64.70 1nr3 h ILE 63 Cb 1.38 1.07 0.00 0.00 -0.00 0.00 0.00 36.82 39.28 1nr3 h ILE 63 CO 0.15 0.03 -0.02 0.40 -0.00 0.00 0.00 178.15 178.71 1nr3 h ILE 64 N 0.00 1.10 -0.25 2.19 2.04 0.08 1.03 117.51 123.71 1nr3 h ILE 64 Ca -0.00 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1nr3 h ILE 64 Cb 0.07 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1nr3 h ILE 64 CO 0.00 0.11 -0.10 0.07 0.00 0.00 0.00 178.15 178.23 1nr3 h LYS 65 N -0.23 0.40 -0.06 2.37 2.10 -1.38 -0.54 116.57 119.23 1nr3 h LYS 65 Ca -0.00 -0.10 -0.18 0.00 -2.00 0.00 0.00 60.65 58.36 1nr3 h LYS 65 Cb 0.21 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 1nr3 h LYS 65 CO 0.01 0.51 -0.75 0.00 -2.00 0.00 0.00 179.45 177.21 1nr3 h ARG 66 N 0.37 0.34 0.03 0.07 2.47 -0.88 -3.05 114.38 113.74 1nr3 h ARG 66 Ca 0.08 -0.29 -0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1nr3 h ARG 66 Cb 0.41 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1nr3 h ARG 66 CO 0.02 0.94 -0.02 -0.07 0.56 0.00 0.00 179.97 181.41 1nr3 h LEU 67 N 0.23 -0.04 -0.80 3.04 3.38 0.18 -2.95 115.31 118.35 1nr3 h LEU 67 Ca -0.03 -0.32 0.19 0.00 0.09 0.00 0.00 57.88 57.81 1nr3 h LEU 67 Cb 1.33 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.96 1nr3 h LEU 67 CO 0.12 0.30 0.14 0.17 0.09 0.00 0.00 178.44 179.27 1nr3 h LEU 68 N -0.38 -0.12 -2.52 1.67 8.10 -1.15 2.20 115.31 123.11 1nr3 h LEU 68 Ca -0.00 0.18 0.01 0.00 0.11 0.00 0.00 57.88 58.18 1nr3 h LEU 68 Cb 0.36 0.27 -0.00 0.00 -0.44 0.00 0.00 40.66 40.85 1nr3 h LEU 68 CO 0.01 -0.13 0.08 -0.33 -4.11 0.00 0.00 178.44 173.96 1nr3 h GLU 69 N 0.19 0.00 0.09 0.17 5.08 -1.41 2.75 114.58 121.46 1nr3 h GLU 69 Ca 0.46 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.45 1nr3 h GLU 69 Cb 0.86 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1nr3 h GLU 69 CO -0.62 0.00 -2.10 0.39 -1.00 0.00 0.00 179.01 175.68 1nr3 n GLU 70 N -3.55 0.73 -0.04 2.33 -0.58 0.67 -3.98 120.64 116.22 1nr3 n GLU 70 Ca -0.02 0.24 -0.02 0.00 -0.42 0.00 0.00 57.16 56.94 1nr3 n GLU 70 Cb 0.16 -1.66 -0.01 0.00 -0.57 0.00 0.00 31.44 29.36 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 0.02 0.00 -1.45 1.62 0.02 0.17 -3.33 113.55 110.61 1nr3 h SER 71 Ca -0.46 0.00 0.48 0.00 -0.84 0.00 0.00 61.79 60.96 1nr3 h SER 71 Cb 1.98 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 64.41 1nr3 h SER 71 CO 0.04 0.38 0.97 -3.20 -1.14 0.00 0.00 176.83 173.88 1nr3 n ASN 72 N -3.49 0.15 0.21 3.07 5.15 0.91 0.22 115.26 121.48 1nr3 n ASN 72 Ca -0.03 1.22 -0.15 0.00 -0.60 0.00 0.00 54.58 55.02 1nr3 n ASN 72 Cb 0.12 -0.60 -0.08 0.00 -0.53 0.00 0.00 39.78 38.69 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 -0.23 1.20 1.79 -1.61 -2.15 116.57 115.11 1nr3 h LYS 73 Ca 0.85 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.35 1nr3 h LYS 73 Cb 2.92 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 33.67 1nr3 h LYS 73 CO -0.34 -0.31 0.00 -0.85 -1.08 0.00 0.00 179.45 176.87 1nr3 n GLU 74 N -5.31 1.83 -2.64 3.15 0.28 0.59 -4.90 120.64 113.64 1nr3 n GLU 74 Ca -0.10 -1.26 -0.07 0.00 -0.16 0.00 0.00 57.16 55.57 1nr3 n GLU 74 Cb 0.22 -1.39 -0.02 0.00 1.43 0.00 0.00 31.44 31.69 1nr3 n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nr3 n GLY 75 N 1.16 3.95 3.93 -1.84 0.00 0.53 -5.06 105.19 107.86 1nr3 n GLY 75 Ca 0.16 -2.08 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.74 4.79 -0.90 -0.61 1.10 -1.26 -4.69 121.20 117.89 1nr3 s ILE 76 Ca 0.03 -0.27 -0.27 0.00 -0.51 0.00 0.00 60.65 59.63 1nr3 s ILE 76 Cb 0.00 -3.78 -0.20 0.00 0.15 0.00 0.00 42.46 38.63 1nr3 s ILE 76 CO 0.02 -0.60 2.58 1.57 -2.11 0.00 0.00 174.94 176.40 1nr3 n HIS 77 N -2.00 0.68 -4.17 3.50 -0.00 -1.26 -4.71 115.22 107.25 1nr3 n HIS 77 Ca -0.02 0.27 -0.17 0.00 0.46 0.00 0.00 57.72 58.26 1nr3 n HIS 77 Cb 0.56 -2.22 -0.15 0.00 -0.12 0.00 0.00 29.99 28.06 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 8.77 0.46 -0.37 3.57 1.01 -1.26 -4.91 120.40 127.68 1nr3 s VAL 78 Ca 1.27 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 63.12 1nr3 s VAL 78 Cb -0.97 -0.42 0.44 0.00 0.00 0.00 0.00 36.38 35.42 1nr3 s VAL 78 CO 0.44 0.16 1.13 2.30 0.00 0.00 0.00 175.10 179.13 1nr3 n ILE 79 N 3.29 2.35 -2.51 2.22 -5.35 -1.26 -4.79 119.36 113.30 1nr3 n ILE 79 Ca -0.17 -4.54 -0.25 0.00 -0.27 0.00 0.00 62.75 57.52 1nr3 n ILE 79 Cb 0.56 -1.07 0.03 0.00 -1.74 0.00 0.00 39.64 37.42 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 -3.55 3.14 0.39 4.28 3.76 -1.26 -4.45 115.29 117.60 1nr3 s HIS 80 Ca 0.48 0.45 0.08 0.00 -0.15 0.00 0.00 55.06 55.91 1nr3 s HIS 80 Cb 0.40 -2.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.35 1nr3 s HIS 80 CO -0.09 -0.84 0.41 -0.51 -0.85 0.00 0.00 174.74 172.86 1nr3 s ASP 81 N -4.34 5.32 0.46 1.40 1.11 -1.26 -4.82 116.67 114.55 1nr3 s ASP 81 Ca 0.54 -0.56 0.16 0.00 0.18 0.00 0.00 52.55 52.87 1nr3 s ASP 81 Cb -0.10 -0.75 1.08 0.00 1.07 0.00 0.00 42.92 44.22 1nr3 s ASP 81 CO 0.43 -0.58 2.02 0.77 1.18 0.00 0.00 175.17 178.99 1nr3 h SER 82 N 0.98 0.00 -0.19 0.27 4.64 -1.91 0.27 113.55 117.62 1nr3 h SER 82 Ca -0.42 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.70 1nr3 h SER 82 Cb 1.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1nr3 h SER 82 CO 0.54 0.15 -0.66 0.40 -0.87 0.00 0.00 176.83 176.40 1nr3 h ILE 83 N 0.00 1.29 -0.13 0.95 2.04 -1.95 -2.69 117.51 117.01 1nr3 h ILE 83 Ca -0.00 -1.86 -0.16 0.00 1.00 0.00 0.00 64.86 63.84 1nr3 h ILE 83 Cb 0.28 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1nr3 h ILE 83 CO 0.02 0.59 -0.58 0.74 0.00 0.00 0.00 178.15 178.93 1nr3 h THR 84 N 0.51 1.35 -0.94 -0.27 2.02 -1.74 -2.69 112.91 111.15 1nr3 h THR 84 Ca -0.03 -1.87 0.01 0.00 0.77 0.00 0.00 66.41 65.29 1nr3 h THR 84 Cb 1.28 1.87 -0.05 0.00 -1.74 0.00 0.00 68.15 69.52 1nr3 h THR 84 CO 0.14 0.57 0.61 -0.07 0.37 0.00 0.00 175.52 177.14 1nr3 h LEU 85 N 0.32 1.08 -0.44 2.58 4.07 -0.45 1.75 115.31 124.23 1nr3 h LEU 85 Ca 0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 1nr3 h LEU 85 Cb 1.10 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 1nr3 h LEU 85 CO 0.10 0.79 0.12 0.00 -1.08 0.00 0.00 178.44 178.38 1nr3 h ALA 86 N 1.34 0.58 -0.01 1.53 0.00 -1.33 0.67 119.26 122.04 1nr3 h ALA 86 Ca 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1nr3 h ALA 86 Cb -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1nr3 h ALA 86 CO -0.07 0.25 -0.02 0.35 0.00 0.00 0.00 179.25 179.76 1nr3 h PHE 87 N 0.58 0.03 -0.04 0.00 3.04 -1.03 0.35 116.94 119.87 1nr3 h PHE 87 Ca 0.14 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.08 1nr3 h PHE 87 Cb 0.29 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1nr3 h PHE 87 CO 0.02 0.59 0.01 -0.07 -2.02 0.00 0.00 178.31 176.83 1nr3 h LEU 88 N -0.53 -0.00 0.13 0.59 4.07 0.27 -2.78 115.31 117.06 1nr3 h LEU 88 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1nr3 h LEU 88 Cb 0.59 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.34 1nr3 h LEU 88 CO 0.00 0.01 -0.06 0.40 -1.08 0.00 0.00 178.44 177.71 1nr3 h ILE 89 N 0.02 0.94 -1.37 1.22 2.04 0.30 -2.33 117.51 118.33 1nr3 h ILE 89 Ca 0.02 -0.27 0.45 0.00 1.00 0.00 0.00 64.86 66.06 1nr3 h ILE 89 Cb 0.02 1.11 -0.11 0.00 -0.74 0.00 0.00 36.82 37.10 1nr3 h ILE 89 CO -0.03 0.07 0.92 0.54 0.00 0.00 0.00 178.15 179.64 1nr3 n ARG 90 N -5.11 -0.02 -0.03 2.37 1.74 0.12 0.37 116.66 116.10 1nr3 n ARG 90 Ca -0.08 1.08 -0.13 0.00 -0.77 0.00 0.00 57.85 57.94 1nr3 n ARG 90 Cb 0.14 -2.21 -0.08 0.00 -1.02 0.00 0.00 32.46 29.29 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 0.18 -0.06 5.56 4.39 -1.15 0.42 114.58 123.92 1nr3 h GLU 91 Ca 0.80 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 60.41 1nr3 h GLU 91 Cb 2.75 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.40 1nr3 h GLU 91 CO -0.31 0.57 0.00 0.36 -1.16 0.00 0.00 179.01 178.47 1nr3 n LYS 92 N -4.73 1.76 -2.75 2.33 2.85 0.72 -4.42 118.16 113.92 1nr3 n LYS 92 Ca -0.07 -1.12 -0.06 0.00 -1.05 0.00 0.00 58.31 56.01 1nr3 n LYS 92 Cb 0.28 -1.46 0.03 0.00 -0.65 0.00 0.00 35.03 33.23 1nr3 n LYS 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nr3 n ALA 93 N 0.35 -1.68 1.96 0.58 0.00 1.19 -4.96 120.51 117.94 1nr3 n ALA 93 Ca 0.18 -1.21 0.11 0.00 0.00 0.00 0.00 53.44 52.51 1nr3 n ALA 93 Cb 0.38 -1.47 0.62 0.00 0.00 0.00 0.00 19.45 18.99 1nr3 n ALA 93 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nr3 n SER 94 N 2.16 0.00 0.00 0.00 3.41 0.15 -3.62 113.62 115.71 1nr3 n SER 94 Ca 0.12 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1nr3 n SER 94 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1nr3 n SER 94 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nr3 n HIS 95 N -0.84 0.00 -3.42 7.33 8.25 -1.26 -4.91 115.22 120.38 1nr3 n HIS 95 Ca 0.16 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.19 1nr3 n HIS 95 Cb 0.07 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.09 1nr3 n HIS 95 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1nr3 s ARG 96 N 0.00 3.06 0.44 -0.41 0.52 -1.26 -5.06 118.95 116.25 1nr3 s ARG 96 Ca 0.00 -0.89 0.06 0.00 -0.52 0.00 0.00 55.73 54.38 1nr3 s ARG 96 Cb 0.00 -3.96 -0.05 0.00 0.52 0.00 0.00 34.95 31.46 1nr3 s ARG 96 CO 0.00 -0.76 0.07 0.42 0.02 0.00 0.00 175.30 175.06 1nr3 s ILE 97 N 1.84 1.90 -0.16 1.52 1.09 -1.26 -4.91 121.20 121.22 1nr3 s ILE 97 Ca 0.08 -1.89 -0.15 0.00 -1.10 0.00 0.00 60.65 57.59 1nr3 s ILE 97 Cb -0.18 -2.79 -0.04 0.00 -1.06 0.00 0.00 42.46 38.38 1nr3 s ILE 97 CO 0.11 0.00 0.33 0.54 -0.10 0.00 0.00 174.94 175.82 1nr3 s VAL 98 N -2.72 5.28 0.40 2.92 0.11 -1.26 -5.08 120.40 120.05 1nr3 s VAL 98 Ca 0.31 0.62 -0.03 0.00 -2.93 0.00 0.00 61.98 59.95 1nr3 s VAL 98 Cb 0.06 -3.67 0.08 0.00 -1.53 0.00 0.00 36.38 31.33 1nr3 s VAL 98 CO 0.16 0.37 0.55 1.41 -3.33 0.00 0.00 175.10 174.26 1nr3 n HIS 99 N 3.69 -3.43 -3.30 1.54 8.25 -1.26 -4.62 115.22 116.09 1nr3 n HIS 99 Ca -0.11 -0.78 -0.08 0.00 -0.26 0.00 0.00 57.72 56.49 1nr3 n HIS 99 Cb 0.52 -0.41 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 1nr3 n HIS 99 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1nr3 s ARG 100 N -3.97 0.42 0.07 -0.41 3.00 -1.26 -5.04 118.95 111.76 1nr3 s ARG 100 Ca 0.34 0.17 0.03 0.00 -1.00 0.00 0.00 55.73 55.27 1nr3 s ARG 100 Cb -0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 34.95 34.60 1nr3 s ARG 100 CO 0.23 -1.01 0.07 0.54 0.00 0.00 0.00 175.30 175.13 1nr3 s VAL 101 N 2.55 4.50 -0.51 7.11 0.11 -1.26 -4.99 120.40 127.91 1nr3 s VAL 101 Ca 0.10 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.42 1nr3 s VAL 101 Cb -0.12 -3.16 0.14 0.00 -1.53 0.00 0.00 36.38 31.71 1nr3 s VAL 101 CO -0.29 0.14 0.30 0.54 -3.33 0.00 0.00 175.10 172.46 1nr3 s VAL 102 N -1.36 2.03 0.00 2.04 0.11 -1.26 -3.65 120.40 118.31 1nr3 s VAL 102 Ca 0.28 -3.15 0.00 0.00 -2.93 0.00 0.00 61.98 56.19 1nr3 s VAL 102 Cb -0.12 -2.40 0.00 0.00 -1.53 0.00 0.00 36.38 32.33 1nr3 s VAL 102 CO 0.21 -0.90 0.00 1.17 -3.33 0.00 0.00 175.10 172.25 1nr3 n LYS 103 N 3.06 0.00 -4.37 1.54 0.00 -1.26 -4.77 118.16 112.36 1nr3 n LYS 103 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.21 1nr3 n LYS 103 Cb 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.29 1nr3 n LYS 103 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1nr3 s SER 104 N -0.84 1.90 -0.11 3.14 0.15 -1.26 -5.02 113.70 111.66 1nr3 s SER 104 Ca 0.00 -1.64 -0.09 0.00 0.70 0.00 0.00 55.95 54.92 1nr3 s SER 104 Cb 0.00 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1nr3 s SER 104 CO 0.00 -0.95 0.19 -0.62 1.20 0.00 0.00 173.24 173.07 1nr3 s ASP 105 N -3.43 6.45 -0.19 5.45 -1.08 -1.26 -4.37 116.67 118.24 1nr3 s ASP 105 Ca 0.34 0.54 -0.16 0.00 -0.52 0.00 0.00 52.55 52.75 1nr3 s ASP 105 Cb 0.04 -2.11 0.05 0.00 -1.46 0.00 0.00 42.92 39.44 1nr3 s ASP 105 CO 0.19 0.36 0.50 0.12 0.52 0.00 0.00 175.17 176.86 1nr3 s PHE 106 N -0.84 -0.59 0.01 -5.34 2.19 -0.68 -4.46 117.98 108.27 1nr3 s PHE 106 Ca 0.16 1.38 0.00 0.00 0.33 0.00 0.00 56.93 58.80 1nr3 s PHE 106 Cb -0.13 0.23 -0.04 0.00 -1.31 0.00 0.00 43.02 41.77 1nr3 s PHE 106 CO 0.05 -0.29 0.08 -1.21 1.83 0.00 0.00 175.22 175.67 1nr3 s GLU 107 N 0.54 3.02 -0.01 10.12 2.02 0.29 0.85 118.70 135.54 1nr3 s GLU 107 Ca -0.02 -0.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.43 1nr3 s GLU 107 Cb -0.04 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1nr3 s GLU 107 CO -0.03 0.63 0.02 0.42 0.02 0.00 0.00 175.26 176.32 1nr3 s ILE 108 N -1.22 0.00 0.23 -1.63 1.09 -0.23 -1.92 121.20 117.53 1nr3 s ILE 108 Ca 0.24 -0.02 -0.19 0.00 -1.10 0.00 0.00 60.65 59.58 1nr3 s ILE 108 Cb -0.12 -0.04 0.02 0.00 -1.06 0.00 0.00 42.46 41.27 1nr3 s ILE 108 CO 0.15 -0.01 0.59 -0.83 -0.10 0.00 0.00 174.94 174.75 1nr3 s GLY 109 N -0.02 -0.04 0.20 6.18 0.00 0.16 -1.38 107.32 112.42 1nr3 s GLY 109 Ca -0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 44.72 44.34 1nr3 s GLY 109 CO 0.00 -0.22 0.32 0.54 0.00 0.00 0.00 173.10 173.74 1nr3 s VAL 110 N -3.90 0.03 -0.02 1.40 0.11 0.12 -0.40 120.40 117.73 1nr3 s VAL 110 Ca 0.11 -1.55 0.03 0.00 -2.93 0.00 0.00 61.98 57.65 1nr3 s VAL 110 Cb -0.03 -2.14 -0.05 0.00 -1.53 0.00 0.00 36.38 32.64 1nr3 s VAL 110 CO 0.02 -0.12 0.03 0.35 -3.33 0.00 0.00 175.10 172.05 1nr3 n THR 111 N -0.29 0.15 0.00 5.04 -2.24 -1.26 -0.22 114.28 115.46 1nr3 n THR 111 Ca -0.03 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1nr3 n THR 111 Cb 0.63 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.96 0.00 0.00 -0.78 1.74 -1.26 -2.47 116.66 111.93 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 0.44 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 1nr3 n ARG 112 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1nr3 n ASP 113 N -2.45 0.00 0.00 0.55 4.64 -1.26 -4.62 116.55 113.41 1nr3 n ASP 113 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1nr3 n ASP 113 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1nr3 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1nr3 n GLY 114 N 0.00 -0.49 3.84 0.27 0.00 -1.26 -4.21 105.19 103.34 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 1.85 0.00 0.00 0.00 173.32 175.17 1nr3 s GLU 115 N -1.09 3.80 0.12 1.61 2.56 -1.26 -4.64 118.70 119.80 1nr3 s GLU 115 Ca 0.00 1.00 0.01 0.00 0.00 0.00 0.00 54.97 55.97 1nr3 s GLU 115 Cb 0.00 -2.11 -0.04 0.00 2.00 0.00 0.00 34.13 33.98 1nr3 s GLU 115 CO 0.00 -0.40 -0.02 0.96 -0.56 0.00 0.00 175.26 175.24 1nr3 s ILE 116 N -2.62 0.52 -0.01 -3.70 -5.25 -1.26 -4.03 121.20 104.86 1nr3 s ILE 116 Ca 0.60 -1.92 0.03 0.00 -0.99 0.00 0.00 60.65 58.36 1nr3 s ILE 116 Cb -0.11 -1.83 -0.01 0.00 2.95 0.00 0.00 42.46 43.46 1nr3 s ILE 116 CO 0.34 -0.72 -0.10 0.27 -1.79 0.00 0.00 174.94 172.94 1nr3 s ILE 117 N -3.75 0.77 0.06 8.37 -5.25 0.46 -4.97 121.20 116.89 1nr3 s ILE 117 Ca 0.16 -0.44 0.01 0.00 -0.99 0.00 0.00 60.65 59.40 1nr3 s ILE 117 Cb 0.06 -0.65 -0.03 0.00 2.95 0.00 0.00 42.46 44.79 1nr3 s ILE 117 CO -0.02 0.20 -0.06 0.68 -1.79 0.00 0.00 174.94 173.95 1nr3 s VAL 118 N -0.26 0.50 -0.30 8.37 -7.23 -1.26 -0.66 120.40 119.56 1nr3 s VAL 118 Ca 0.04 -1.36 -0.16 0.00 -1.81 0.00 0.00 61.98 58.68 1nr3 s VAL 118 Cb -0.04 -0.94 0.17 0.00 0.56 0.00 0.00 36.38 36.13 1nr3 s VAL 118 CO -0.00 -0.59 1.08 -0.62 -0.31 0.00 0.00 175.10 174.66 1nr3 s ASP 119 N -2.09 -0.38 -0.21 4.85 -1.08 -0.81 -4.92 116.67 112.03 1nr3 s ASP 119 Ca -0.03 0.55 -0.05 0.00 -0.52 0.00 0.00 52.55 52.50 1nr3 s ASP 119 Cb -0.04 1.31 -0.14 0.00 -1.46 0.00 0.00 42.92 42.59 1nr3 s ASP 119 CO -0.02 -0.08 3.28 0.18 0.52 0.00 0.00 175.17 179.05 1nr3 n LEU 120 N 4.17 5.79 -1.62 -1.34 4.32 -1.26 0.10 117.00 127.15 1nr3 n LEU 120 Ca -0.13 -3.55 0.00 0.00 -0.02 0.00 0.00 56.01 52.31 1nr3 n LEU 120 Cb 0.55 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.00 1nr3 n LEU 120 CO -0.01 1.72 -0.47 -3.20 -1.22 0.00 0.00 177.39 174.22 1nr3 n ASN 121 N 1.88 -8.77 0.00 -1.43 2.85 -1.26 -4.85 115.26 103.69 1nr3 n ASN 121 Ca 0.46 1.37 0.00 0.00 -0.11 0.00 0.00 54.58 56.30 1nr3 n ASN 121 Cb 0.76 -4.99 0.00 0.00 1.24 0.00 0.00 39.78 36.80 1nr3 n ASN 121 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95