#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 -3.92 0.03 1.74 -1.26 -5.15 116.66 108.10 1nr3 n ARG 2 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 1nr3 n ARG 2 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 1nr3 n ARG 2 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1nr3 s GLU 3 N 0.00 3.91 0.44 5.56 2.02 -1.26 -5.00 118.70 124.36 1nr3 s GLU 3 Ca 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1nr3 s GLU 3 Cb 0.00 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1nr3 s GLU 3 CO 0.00 0.14 0.00 0.54 0.02 0.00 0.00 175.26 175.96 1nr3 n ARG 4 N 3.96 -0.50 -0.13 1.61 1.74 -1.26 -5.02 116.66 117.06 1nr3 n ARG 4 Ca -0.16 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1nr3 n ARG 4 Cb 0.52 -0.60 0.00 0.00 -1.02 0.00 0.00 32.46 31.36 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 -0.87 -0.42 1.90 -0.13 0.00 -1.26 -4.96 105.19 99.45 1nr3 n GLY 5 Ca 0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 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 0.11 2.26 -0.03 1.61 4.27 -1.26 -4.35 117.44 120.05 1nr3 n TRP 6 Ca 0.00 -1.46 -0.01 0.00 -3.89 0.00 0.00 57.50 52.14 1nr3 n TRP 6 Cb 0.00 -0.75 0.28 0.00 -1.36 0.00 0.00 31.31 29.47 1nr3 n TRP 6 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 1nr3 h SER 7 N 0.84 0.56 0.00 -0.67 0.02 -1.97 -3.42 113.55 108.91 1nr3 h SER 7 Ca 0.46 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1nr3 h SER 7 Cb 2.36 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.76 1nr3 h SER 7 CO 0.81 0.60 0.00 1.67 -1.14 0.00 0.00 176.83 178.77 1nr3 n GLN 8 N -4.29 0.00 0.00 3.45 7.27 -1.26 -5.00 117.38 117.55 1nr3 n GLN 8 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1nr3 n GLN 8 Cb 0.23 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.88 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 0.00 0.00 0.00 3.69 0.00 -1.26 -5.00 118.16 115.59 1nr3 n LYS 9 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 58.31 58.42 1nr3 n LYS 9 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 35.03 34.48 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 -1.00 0.00 0.00 1.64 4.81 -1.26 -4.86 118.16 117.49 1nr3 n LYS 10 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.54 1nr3 n LYS 10 Cb 0.00 0.00 0.57 0.00 0.02 0.00 0.00 35.03 35.62 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 -0.41 0.00 -0.47 3.15 5.41 -1.26 -3.80 119.36 121.98 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 -0.41 0.67 0.00 -0.71 0.00 0.00 39.64 39.19 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 3.43 2.87 0.44 -1.39 0.00 -1.91 0.55 119.26 123.25 1nr3 h ALA 12 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nr3 h ALA 12 Cb 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1nr3 h ALA 12 CO 0.00 -1.47 -0.39 -0.09 0.00 0.00 0.00 179.25 177.29 1nr3 h ARG 13 N 0.08 -0.81 -0.11 0.00 1.12 -1.93 0.28 114.38 113.02 1nr3 h ARG 13 Ca 0.82 0.06 0.01 0.00 -1.11 0.00 0.00 59.98 59.75 1nr3 h ARG 13 Cb 2.67 0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 32.81 1nr3 h ARG 13 CO -0.35 -0.54 0.07 0.93 -3.11 0.00 0.00 179.97 176.97 1nr3 h GLU 14 N -0.84 0.10 0.17 0.20 5.08 -0.26 -1.40 114.58 117.62 1nr3 h GLU 14 Ca -0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1nr3 h GLU 14 Cb 0.73 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1nr3 h GLU 14 CO -0.04 0.06 -0.08 1.25 -1.00 0.00 0.00 179.01 179.20 1nr3 h LEU 15 N 0.10 -0.19 -1.26 1.33 6.46 -0.20 -2.60 115.31 118.94 1nr3 h LEU 15 Ca 0.04 -0.22 0.11 0.00 -0.12 0.00 0.00 57.88 57.70 1nr3 h LEU 15 Cb 0.05 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 1nr3 h LEU 15 CO -0.01 0.12 0.56 0.11 -0.62 0.00 0.00 178.44 178.61 1nr3 h LYS 16 N -0.51 0.76 0.00 1.25 1.57 0.20 0.39 116.57 120.23 1nr3 h LYS 16 Ca -0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1nr3 h LYS 16 Cb 0.40 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1nr3 h LYS 16 CO 0.04 0.50 -0.03 1.15 -0.57 0.00 0.00 179.45 180.54 1nr3 h THR 17 N 0.78 0.78 -3.36 -0.16 2.02 -1.01 -3.40 112.91 108.56 1nr3 h THR 17 Ca 0.41 -0.12 -0.57 0.00 0.77 0.00 0.00 66.41 66.90 1nr3 h THR 17 Cb 0.52 1.07 -0.07 0.00 -1.74 0.00 0.00 68.15 67.94 1nr3 h THR 17 CO -0.18 0.03 0.08 0.28 0.37 0.00 0.00 175.52 176.10 1nr3 s THR 18 N -4.76 5.06 0.00 3.16 -1.32 0.14 -4.82 115.64 113.08 1nr3 s THR 18 Ca -0.05 1.33 0.00 0.00 -1.21 0.00 0.00 61.69 61.76 1nr3 s THR 18 Cb 0.16 -3.99 0.00 0.00 -1.51 0.00 0.00 72.50 67.16 1nr3 s THR 18 CO 0.62 0.22 0.00 -1.14 -2.21 0.00 0.00 174.62 172.11 1nr3 n ARG 19 N 4.08 0.00 -0.61 7.08 0.00 -1.26 -4.86 116.66 121.09 1nr3 n ARG 19 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.65 1nr3 n ARG 19 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.95 1nr3 n ARG 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1nr3 n GLN 20 N 0.00 1.72 -2.08 -0.14 6.02 -1.26 -4.02 117.38 117.62 1nr3 n GLN 20 Ca 0.00 -1.26 -0.16 0.00 -0.01 0.00 0.00 57.00 55.57 1nr3 n GLN 20 Cb 0.00 -2.35 -0.02 0.00 1.02 0.00 0.00 30.24 28.89 1nr3 n GLN 20 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1nr3 n ASN 21 N 4.25 -4.76 -0.95 1.08 3.02 -1.26 -4.99 115.26 111.65 1nr3 n ASN 21 Ca 0.37 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1nr3 n ASN 21 Cb 0.13 -3.82 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 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 -3.62 0.00 0.04 2.41 3.14 -1.26 -4.97 118.33 114.07 1nr3 n VAL 22 Ca -0.18 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.09 1nr3 n VAL 22 Cb 0.61 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.32 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 -1.11 -6.68 6.55 0.87 -1.94 -3.46 113.55 107.78 1nr3 h SER 23 Ca 0.00 0.12 -0.54 0.00 -1.23 0.00 0.00 61.79 60.15 1nr3 h SER 23 Cb 0.00 0.42 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 1nr3 h SER 23 CO 0.00 -0.35 -0.94 0.00 -0.53 0.00 0.00 176.83 175.01 1nr3 n ALA 24 N -2.81 -2.20 0.09 6.23 0.00 -1.26 -4.74 120.51 115.82 1nr3 n ALA 24 Ca -0.05 -0.36 -0.05 0.00 0.00 0.00 0.00 53.44 52.98 1nr3 n ALA 24 Cb 0.27 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 -1.97 1.58 -0.49 0.00 2.04 -1.97 -1.10 117.51 115.60 1nr3 h ILE 25 Ca -0.66 -2.82 -0.07 0.00 1.00 0.00 0.00 64.86 62.31 1nr3 h ILE 25 Cb 1.38 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 39.98 1nr3 h ILE 25 CO 0.61 0.81 0.01 1.05 0.00 0.00 0.00 178.15 180.63 1nr3 h GLU 26 N 0.02 0.85 0.01 2.37 4.11 -1.98 0.28 114.58 120.25 1nr3 h GLU 26 Ca -0.02 -0.27 -0.00 0.00 0.07 0.00 0.00 59.36 59.15 1nr3 h GLU 26 Cb 1.48 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1nr3 h GLU 26 CO 0.11 0.89 -0.01 0.00 0.07 0.00 0.00 179.01 180.07 1nr3 h ARG 27 N 0.72 -0.02 -0.65 1.06 2.47 -1.93 -1.66 114.38 114.38 1nr3 h ARG 27 Ca 0.14 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.93 1nr3 h ARG 27 Cb 0.49 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.76 1nr3 h ARG 27 CO 0.02 0.67 0.34 0.87 0.56 0.00 0.00 179.97 182.43 1nr3 h LYS 28 N -0.73 0.60 0.80 0.04 1.57 -1.21 0.62 116.57 118.26 1nr3 h LYS 28 Ca -0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1nr3 h LYS 28 Cb 0.69 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.88 1nr3 h LYS 28 CO 0.00 0.40 -0.39 0.00 -0.57 0.00 0.00 179.45 178.89 1nr3 h ALA 29 N 1.36 -1.29 0.00 3.86 0.00 -0.48 -1.69 119.26 121.02 1nr3 h ALA 29 Ca 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nr3 h ALA 29 Cb 0.22 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1nr3 h ALA 29 CO -0.20 -1.21 0.00 -0.12 0.00 0.00 0.00 179.25 177.72 1nr3 n MET 30 N -4.95 0.07 -0.78 0.00 1.56 -0.62 -1.36 117.12 111.04 1nr3 n MET 30 Ca -0.13 0.57 -0.07 0.00 -0.27 0.00 0.00 57.70 57.79 1nr3 n MET 30 Cb 0.43 -1.72 -0.10 0.00 2.15 0.00 0.00 33.22 33.97 1nr3 n MET 30 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1nr3 n GLU 31 N -1.87 1.56 -2.59 2.12 -0.58 0.21 -4.61 120.64 114.90 1nr3 n GLU 31 Ca -0.01 -0.61 -0.14 0.00 -0.42 0.00 0.00 57.16 55.99 1nr3 n GLU 31 Cb 0.02 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.25 1nr3 n GLU 31 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1nr3 n ASN 32 N 2.16 -3.81 -4.72 1.62 4.13 -1.16 -4.84 115.26 108.65 1nr3 n ASN 32 Ca 0.26 0.12 -0.43 0.00 1.68 0.00 0.00 54.58 56.21 1nr3 n ASN 32 Cb 0.73 -3.23 -0.01 0.00 -1.54 0.00 0.00 39.78 35.73 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 -3.46 1.46 -0.05 2.41 3.06 -0.46 -4.94 119.36 117.38 1nr3 n ILE 33 Ca -0.12 -0.36 -0.05 0.00 -2.50 0.00 0.00 62.75 59.72 1nr3 n ILE 33 Cb 0.60 -1.73 -0.02 0.00 0.54 0.00 0.00 39.64 39.03 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 1.36 0.28 0.00 9.51 2.13 -1.26 -4.99 120.64 127.67 1nr3 n GLU 34 Ca 0.07 0.11 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1nr3 n GLU 34 Cb 0.36 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 31.08 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 -3.53 0.00 0.00 5.31 2.85 -1.26 -5.09 118.16 116.44 1nr3 n LYS 35 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1nr3 n LYS 35 Cb 0.27 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.65 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 -5.01 113.62 104.65 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 -1.14 -1.23 0.00 0.00 175.04 172.67 1nr3 n ARG 37 N -0.13 0.00 -0.99 -1.46 3.00 -1.26 -4.48 116.66 111.33 1nr3 n ARG 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1nr3 n ARG 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1nr3 n ARG 37 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1nr3 n ASN 38 N 1.10 -2.98 0.00 6.15 3.02 -1.26 -4.97 115.26 116.32 1nr3 n ASN 38 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1nr3 n ASN 38 Cb 0.00 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 1nr3 n ASN 38 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1nr3 n THR 39 N -2.99 0.00 -0.31 3.41 -1.04 -1.26 -1.29 114.28 110.80 1nr3 n THR 39 Ca 0.00 0.06 0.34 0.00 -2.04 0.00 0.00 64.05 62.41 1nr3 n THR 39 Cb 0.00 -0.20 0.64 0.00 -1.82 0.00 0.00 70.33 68.94 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 0.33 -4.42 -0.00 -1.93 0.77 115.31 110.07 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 -0.16 -0.78 -0.00 0.00 0.00 178.44 177.50 1nr3 h ASP 41 N 0.00 -0.38 -1.01 0.17 3.58 -1.91 0.25 116.42 117.11 1nr3 h ASP 41 Ca 0.57 -0.16 0.24 0.00 0.42 0.00 0.00 57.03 58.09 1nr3 h ASP 41 Cb 2.74 0.10 -0.11 0.00 1.72 0.00 0.00 39.33 43.77 1nr3 h ASP 41 CO -0.01 0.07 0.62 0.15 -2.88 0.00 0.00 179.24 177.19 1nr3 h PHE 42 N -0.94 0.91 0.01 0.28 3.04 0.19 0.70 116.94 121.12 1nr3 h PHE 42 Ca -0.05 0.03 -0.20 0.00 3.98 0.00 0.00 57.97 61.74 1nr3 h PHE 42 Cb 0.52 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1nr3 h PHE 42 CO 0.03 0.10 -0.93 -0.24 -2.02 0.00 0.00 178.31 175.25 1nr3 h VAL 43 N 0.56 1.64 -0.52 1.41 3.04 -1.29 -3.15 116.25 117.94 1nr3 h VAL 43 Ca 0.61 -3.11 0.00 0.00 -1.01 0.00 0.00 66.70 63.20 1nr3 h VAL 43 Cb 1.25 2.70 -0.03 0.00 -2.01 0.00 0.00 31.29 33.20 1nr3 h VAL 43 CO -0.39 0.89 0.35 0.11 -1.01 0.00 0.00 177.57 177.51 1nr3 h LYS 44 N 0.01 0.69 -0.66 4.17 1.79 0.39 -1.83 116.57 121.13 1nr3 h LYS 44 Ca -0.02 -0.04 0.13 0.00 -2.18 0.00 0.00 60.65 58.54 1nr3 h LYS 44 Cb 1.64 -0.16 -0.10 0.00 -1.58 0.00 0.00 32.23 32.04 1nr3 h LYS 44 CO 0.13 0.46 0.16 1.03 -1.08 0.00 0.00 179.45 180.14 1nr3 h SER 45 N 0.71 0.02 -0.96 0.86 0.87 -1.09 -0.55 113.55 113.41 1nr3 h SER 45 Ca 0.19 0.12 0.18 0.00 -1.23 0.00 0.00 61.79 61.05 1nr3 h SER 45 Cb -0.08 0.16 -0.17 0.00 -0.44 0.00 0.00 62.40 61.87 1nr3 h SER 45 CO -0.04 0.00 -0.29 0.18 -0.53 0.00 0.00 176.83 176.15 1nr3 n LEU 46 N -5.13 -0.45 -2.46 2.23 4.77 -0.69 -4.84 117.00 110.43 1nr3 n LEU 46 Ca 0.11 1.66 -0.06 0.00 -0.03 0.00 0.00 56.01 57.69 1nr3 n LEU 46 Cb 0.37 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1nr3 n LEU 46 CO 0.15 -1.55 0.08 0.29 -1.33 0.00 0.00 177.39 175.03 1nr3 n LYS 47 N -5.51 -1.10 -3.67 3.23 5.02 -0.22 -5.02 118.16 110.89 1nr3 n LYS 47 Ca 0.13 0.69 -0.37 0.00 -2.02 0.00 0.00 58.31 56.74 1nr3 n LYS 47 Cb 0.44 -3.96 -0.06 0.00 -0.02 0.00 0.00 35.03 31.43 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 -3.00 6.61 0.52 4.39 1.04 -1.26 -4.65 113.70 117.35 1nr3 s SER 48 Ca 0.17 0.72 -0.19 0.00 0.48 0.00 0.00 55.95 57.14 1nr3 s SER 48 Cb -0.02 -2.17 -0.07 0.00 0.10 0.00 0.00 66.02 63.86 1nr3 s SER 48 CO 0.42 0.35 1.04 -2.16 0.98 0.00 0.00 173.24 173.88 1nr3 s PRO 49 N -0.99 3.67 0.14 4.02 0.04 -0.68 -4.10 135.00 137.10 1nr3 s PRO 49 Ca 0.19 1.30 -0.15 0.00 0.04 0.00 0.00 61.00 62.38 1nr3 s PRO 49 Cb -0.14 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1nr3 s PRO 49 CO 0.09 -0.53 0.40 0.08 0.04 0.00 0.00 177.00 177.07 1nr3 s VAL 50 N -2.15 0.07 -0.22 -0.36 1.01 0.60 -4.95 120.40 114.41 1nr3 s VAL 50 Ca 0.66 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 1nr3 s VAL 50 Cb -0.16 -1.32 0.07 0.00 0.00 0.00 0.00 36.38 34.97 1nr3 s VAL 50 CO 0.25 -0.31 0.72 -0.60 0.00 0.00 0.00 175.10 175.16 1nr3 s ARG 51 N -3.84 0.89 -0.12 2.72 3.52 -1.26 -0.67 118.95 120.19 1nr3 s ARG 51 Ca 0.06 0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 56.18 1nr3 s ARG 51 Cb 0.02 0.43 0.08 0.00 -1.56 0.00 0.00 34.95 33.91 1nr3 s ARG 51 CO -0.09 -0.15 0.74 0.96 -0.81 0.00 0.00 175.30 175.95 1nr3 s ILE 52 N -0.00 0.00 0.04 4.11 -4.36 -0.20 -4.48 121.20 116.30 1nr3 s ILE 52 Ca -0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.34 1nr3 s ILE 52 Cb -0.04 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.63 1nr3 s ILE 52 CO 0.03 0.00 0.22 -0.22 0.24 0.00 0.00 174.94 175.21 1nr3 s LEU 53 N -0.78 4.36 -0.16 0.37 0.20 -1.26 -1.02 118.68 120.37 1nr3 s LEU 53 Ca -0.07 0.35 -0.05 0.00 0.69 0.00 0.00 54.13 55.06 1nr3 s LEU 53 Cb -0.01 -2.83 -0.03 0.00 -0.43 0.00 0.00 46.19 42.89 1nr3 s LEU 53 CO 0.06 0.20 -0.02 0.00 -0.29 0.00 0.00 176.35 176.31 1nr3 n ARG 55 N 3.60 1.28 -1.66 0.00 5.12 -1.26 -1.18 116.66 122.56 1nr3 n ARG 55 Ca -0.17 -1.78 -0.49 0.00 -1.93 0.00 0.00 57.85 53.48 1nr3 n ARG 55 Cb 0.52 0.37 -0.05 0.00 -1.16 0.00 0.00 32.46 32.15 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 -0.82 1.82 -0.24 5.56 1.85 -1.26 -4.60 116.66 118.98 1nr3 n ARG 56 Ca -0.07 0.66 0.32 0.00 -1.00 0.00 0.00 57.85 57.76 1nr3 n ARG 56 Cb 0.31 -2.41 0.71 0.00 -1.05 0.00 0.00 32.46 30.02 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 6.53 0.00 1.84 2.89 0.00 -1.84 1.53 103.07 114.02 1nr3 h GLY 57 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1nr3 h GLY 57 CO 0.89 0.00 0.03 -1.80 0.00 0.00 0.00 176.54 175.66 1nr3 h ASP 58 N 0.00 0.19 -0.50 0.19 3.58 -1.91 -0.12 116.42 117.85 1nr3 h ASP 58 Ca 0.50 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.93 1nr3 h ASP 58 Cb 2.23 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 43.23 1nr3 h ASP 58 CO -0.01 0.20 0.00 1.07 -2.88 0.00 0.00 179.24 177.63 1nr3 n THR 59 N -4.44 0.80 -0.33 2.25 5.66 0.52 -4.48 114.28 114.25 1nr3 n THR 59 Ca -0.01 -0.90 0.14 0.00 -3.05 0.00 0.00 64.05 60.23 1nr3 n THR 59 Cb 0.13 0.69 0.33 0.00 -1.55 0.00 0.00 70.33 69.93 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 3.65 0.62 -0.20 1.09 5.85 -0.08 1.88 115.31 128.11 1nr3 h LEU 60 Ca 0.00 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1nr3 h LEU 60 Cb 0.89 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1nr3 h LEU 60 CO 0.00 0.15 0.01 -2.24 -0.34 0.00 0.00 178.44 176.01 1nr3 h ASP 61 N 0.60 -0.06 -0.09 1.25 3.04 -1.79 0.12 116.42 119.49 1nr3 h ASP 61 Ca 0.59 0.04 -0.20 0.00 -3.24 0.00 0.00 57.03 54.22 1nr3 h ASP 61 Cb 1.02 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.39 1nr3 h ASP 61 CO -0.45 -0.00 -0.68 -0.08 -2.04 0.00 0.00 179.24 175.99 1nr3 h GLU 62 N 0.07 0.72 -0.25 4.15 4.81 -0.85 -2.89 114.58 120.34 1nr3 h GLU 62 Ca 0.09 -0.53 0.07 0.00 -0.13 0.00 0.00 59.36 58.86 1nr3 h GLU 62 Cb 0.11 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1nr3 h GLU 62 CO -0.15 1.15 0.19 0.97 -0.73 0.00 0.00 179.01 180.44 1nr3 h ILE 63 N 0.52 0.84 -0.30 2.32 -0.00 0.32 -0.08 117.51 121.13 1nr3 h ILE 63 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.83 1nr3 h ILE 63 Cb 1.28 0.87 -0.01 0.00 -0.00 0.00 0.00 36.82 38.96 1nr3 h ILE 63 CO 0.14 0.00 0.16 0.40 -0.00 0.00 0.00 178.15 178.85 1nr3 h ILE 64 N 0.00 1.14 -0.71 2.19 2.04 -0.55 0.99 117.51 122.61 1nr3 h ILE 64 Ca 0.12 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1nr3 h ILE 64 Cb 0.49 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1nr3 h ILE 64 CO -0.00 0.14 0.23 0.50 0.00 0.00 0.00 178.15 179.02 1nr3 h LYS 65 N 0.36 1.09 -0.16 2.37 3.64 -1.10 -0.08 116.57 122.70 1nr3 h LYS 65 Ca 0.11 -0.22 -0.14 0.00 -1.27 0.00 0.00 60.65 59.12 1nr3 h LYS 65 Cb 0.08 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1nr3 h LYS 65 CO -0.02 0.93 -0.49 0.00 -2.27 0.00 0.00 179.45 177.60 1nr3 h ARG 66 N 1.05 0.42 0.14 1.90 2.47 -0.75 -2.78 114.38 116.84 1nr3 h ARG 66 Ca 0.23 -0.24 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1nr3 h ARG 66 Cb 0.28 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1nr3 h ARG 66 CO -0.01 0.82 -0.07 -0.07 0.56 0.00 0.00 179.97 181.20 1nr3 h LEU 67 N 0.34 -0.16 -0.80 3.04 3.38 0.16 -2.86 115.31 118.40 1nr3 h LEU 67 Ca 0.02 -0.21 0.18 0.00 0.09 0.00 0.00 57.88 57.96 1nr3 h LEU 67 Cb 0.99 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.67 1nr3 h LEU 67 CO 0.09 0.12 0.27 0.17 0.09 0.00 0.00 178.44 179.18 1nr3 h LEU 68 N -0.45 0.16 -2.23 1.67 8.10 -1.00 1.49 115.31 123.05 1nr3 h LEU 68 Ca -0.02 0.14 0.05 0.00 0.11 0.00 0.00 57.88 58.17 1nr3 h LEU 68 Cb 0.36 0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.73 1nr3 h LEU 68 CO 0.03 -0.00 0.23 -0.33 -4.11 0.00 0.00 178.44 174.26 1nr3 h GLU 69 N 0.35 0.00 0.07 0.17 4.39 -1.27 2.68 114.58 120.97 1nr3 h GLU 69 Ca 0.47 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.80 1nr3 h GLU 69 Cb 0.81 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.43 1nr3 h GLU 69 CO -0.50 0.00 -2.12 0.39 -1.16 0.00 0.00 179.01 175.62 1nr3 n GLU 70 N -3.66 0.71 -0.03 2.33 -0.58 0.45 -3.92 120.64 115.94 1nr3 n GLU 70 Ca 0.02 0.25 -0.01 0.00 -0.42 0.00 0.00 57.16 56.99 1nr3 n GLU 70 Cb 0.34 -1.64 -0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 -0.06 0.00 -1.73 1.62 0.02 0.14 -3.28 113.55 110.26 1nr3 h SER 71 Ca -0.48 0.00 0.50 0.00 -0.84 0.00 0.00 61.79 60.97 1nr3 h SER 71 Cb 1.93 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 64.40 1nr3 h SER 71 CO -0.01 0.31 1.27 -1.13 -1.14 0.00 0.00 176.83 176.13 1nr3 h ASN 72 N -0.48 0.00 -0.10 3.07 -1.24 0.45 2.19 115.58 119.46 1nr3 h ASN 72 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1nr3 h ASN 72 Cb 0.14 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.18 1nr3 h ASN 72 CO 0.00 0.00 0.04 0.11 -1.29 0.00 0.00 177.43 176.29 1nr3 h LYS 73 N 0.00 0.16 -0.45 6.67 6.56 -1.58 -2.72 116.57 125.22 1nr3 h LYS 73 Ca 0.82 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 60.38 1nr3 h LYS 73 Cb 3.35 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 34.98 1nr3 h LYS 73 CO -0.01 0.30 0.00 -0.85 -2.06 0.00 0.00 179.45 176.83 1nr3 n GLU 74 N -4.90 2.37 -2.38 3.15 0.28 0.61 -4.94 120.64 114.83 1nr3 n GLU 74 Ca -0.06 -2.09 -0.04 0.00 -0.16 0.00 0.00 57.16 54.81 1nr3 n GLU 74 Cb 0.13 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 31.50 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 1.45 4.02 3.93 -1.84 0.00 0.55 -5.02 105.19 108.29 1nr3 n GLY 75 Ca 0.19 -2.06 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 1nr3 n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nr3 s ILE 76 N -1.58 4.67 -0.83 -0.61 -1.09 -1.26 -4.70 121.20 115.79 1nr3 s ILE 76 Ca 0.02 -0.26 -0.27 0.00 -2.23 0.00 0.00 60.65 57.91 1nr3 s ILE 76 Cb 0.00 -3.74 -0.18 0.00 -1.58 0.00 0.00 42.46 36.96 1nr3 s ILE 76 CO 0.01 -0.58 2.54 1.57 -1.23 0.00 0.00 174.94 177.25 1nr3 n HIS 77 N -2.04 0.79 -4.15 3.97 -0.00 -1.26 -4.72 115.22 107.81 1nr3 n HIS 77 Ca -0.01 0.23 -0.15 0.00 0.46 0.00 0.00 57.72 58.25 1nr3 n HIS 77 Cb 0.56 -2.26 -0.14 0.00 -0.12 0.00 0.00 29.99 28.04 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 9.33 0.46 -0.45 3.57 1.01 -1.26 -4.92 120.40 128.14 1nr3 s VAL 78 Ca 1.21 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.85 1nr3 s VAL 78 Cb -0.82 -0.42 0.41 0.00 0.00 0.00 0.00 36.38 35.56 1nr3 s VAL 78 CO 0.40 0.02 1.07 2.30 0.00 0.00 0.00 175.10 178.90 1nr3 n ILE 79 N 2.65 2.30 -2.46 2.22 -5.35 -1.26 -4.81 119.36 112.64 1nr3 n ILE 79 Ca -0.15 -4.85 -0.25 0.00 -0.27 0.00 0.00 62.75 57.24 1nr3 n ILE 79 Cb 0.57 -1.10 0.04 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 -3.48 3.08 0.49 4.28 3.76 -1.26 -4.29 115.29 117.87 1nr3 s HIS 80 Ca 0.46 0.41 0.05 0.00 -0.15 0.00 0.00 55.06 55.83 1nr3 s HIS 80 Cb 0.39 -2.82 -0.00 0.00 1.11 0.00 0.00 32.58 31.26 1nr3 s HIS 80 CO -0.16 -0.94 0.25 -0.51 -0.85 0.00 0.00 174.74 172.53 1nr3 s ASP 81 N -4.38 4.49 0.30 1.40 1.11 -1.26 -4.82 116.67 113.50 1nr3 s ASP 81 Ca 0.56 -1.26 0.07 0.00 0.18 0.00 0.00 52.55 52.09 1nr3 s ASP 81 Cb -0.10 0.13 0.47 0.00 1.07 0.00 0.00 42.92 44.49 1nr3 s ASP 81 CO 0.43 -0.87 1.71 -1.28 1.18 0.00 0.00 175.17 176.34 1nr3 h SER 82 N 1.08 0.23 0.02 0.27 0.87 -1.92 0.19 113.55 114.30 1nr3 h SER 82 Ca -0.40 -0.10 -0.14 0.00 -1.23 0.00 0.00 61.79 59.92 1nr3 h SER 82 Cb 1.29 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 1nr3 h SER 82 CO 0.64 0.62 -0.46 0.40 -0.53 0.00 0.00 176.83 177.50 1nr3 h ILE 83 N 0.19 1.31 0.06 2.23 2.04 -1.96 -2.40 117.51 118.99 1nr3 h ILE 83 Ca 0.02 -1.67 -0.26 0.00 1.00 0.00 0.00 64.86 63.95 1nr3 h ILE 83 Cb 0.81 1.66 0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1nr3 h ILE 83 CO 0.06 0.52 -1.10 0.74 0.00 0.00 0.00 178.15 178.37 1nr3 h THR 84 N 0.42 1.39 -0.59 -0.27 2.02 -1.87 -3.18 112.91 110.84 1nr3 h THR 84 Ca 0.03 -2.60 0.01 0.00 0.77 0.00 0.00 66.41 64.62 1nr3 h THR 84 Cb 0.97 2.62 -0.03 0.00 -1.74 0.00 0.00 68.15 69.98 1nr3 h THR 84 CO 0.09 0.78 0.39 -0.07 0.37 0.00 0.00 175.52 177.08 1nr3 h LEU 85 N 0.21 0.66 0.03 2.58 4.07 -0.51 1.41 115.31 123.74 1nr3 h LEU 85 Ca -0.12 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 1nr3 h LEU 85 Cb 1.77 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.35 1nr3 h LEU 85 CO 0.19 0.47 -0.01 0.00 -1.08 0.00 0.00 178.44 178.01 1nr3 h ALA 86 N 1.64 -0.04 -0.04 1.53 0.00 -1.41 0.65 119.26 121.59 1nr3 h ALA 86 Ca 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1nr3 h ALA 86 Cb -0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nr3 h ALA 86 CO -0.05 -0.49 -0.11 0.35 0.00 0.00 0.00 179.25 178.95 1nr3 h PHE 87 N -0.10 0.18 -0.94 0.00 3.57 -1.34 0.32 116.94 118.63 1nr3 h PHE 87 Ca -0.00 -0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.51 1nr3 h PHE 87 Cb 0.09 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 1nr3 h PHE 87 CO -0.06 0.72 0.60 -0.07 -2.23 0.00 0.00 178.31 177.28 1nr3 h LEU 88 N -0.42 0.89 0.02 0.59 4.07 0.19 -2.15 115.31 118.50 1nr3 h LEU 88 Ca -0.00 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1nr3 h LEU 88 Cb 0.72 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1nr3 h LEU 88 CO 0.02 0.53 -0.01 0.40 -1.08 0.00 0.00 178.44 178.30 1nr3 h ILE 89 N 0.99 1.44 -1.30 1.22 2.04 0.34 -2.89 117.51 119.34 1nr3 h ILE 89 Ca 0.43 -1.59 0.45 0.00 1.00 0.00 0.00 64.86 65.15 1nr3 h ILE 89 Cb 0.33 2.48 -0.13 0.00 -0.74 0.00 0.00 36.82 38.76 1nr3 h ILE 89 CO -0.18 0.40 0.84 0.54 0.00 0.00 0.00 178.15 179.74 1nr3 n ARG 90 N -4.77 -0.03 0.03 2.37 1.74 0.11 0.41 116.66 116.52 1nr3 n ARG 90 Ca -0.09 1.19 -0.19 0.00 -0.77 0.00 0.00 57.85 57.99 1nr3 n ARG 90 Cb 0.33 -2.35 -0.12 0.00 -1.02 0.00 0.00 32.46 29.30 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 0.43 -0.00 5.56 4.39 -1.41 0.62 114.58 124.16 1nr3 h GLU 91 Ca 0.84 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1nr3 h GLU 91 Cb 2.69 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 31.51 1nr3 h GLU 91 CO -0.45 1.20 -0.05 0.36 -1.16 0.00 0.00 179.01 178.91 1nr3 n LYS 92 N -4.11 0.81 -2.68 2.33 2.85 0.64 -4.48 118.16 113.53 1nr3 n LYS 92 Ca -0.12 -0.20 -0.02 0.00 -1.05 0.00 0.00 58.31 56.92 1nr3 n LYS 92 Cb 0.78 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.69 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 -2.32 -4.69 -2.00 0.58 0.00 1.38 -4.98 121.76 109.72 1nr3 s ALA 93 Ca 0.35 0.85 0.23 0.00 0.00 0.00 0.00 51.96 53.39 1nr3 s ALA 93 Cb 0.21 -3.02 1.38 0.00 0.00 0.00 0.00 23.12 21.69 1nr3 s ALA 93 CO 0.43 -2.55 1.78 0.45 0.00 0.00 0.00 175.76 175.88 1nr3 n SER 94 N 2.82 0.00 0.00 0.00 2.88 0.21 -3.69 113.62 115.84 1nr3 n SER 94 Ca 0.09 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 1nr3 n SER 94 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1nr3 n SER 94 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1nr3 n HIS 95 N -0.95 0.00 -3.48 0.66 8.25 -1.26 -4.84 115.22 113.60 1nr3 n HIS 95 Ca 0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.21 1nr3 n HIS 95 Cb 0.08 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 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 -0.23 2.92 0.43 -0.41 0.52 -1.25 -5.06 118.95 115.86 1nr3 s ARG 96 Ca 0.00 -1.14 0.06 0.00 -0.52 0.00 0.00 55.73 54.13 1nr3 s ARG 96 Cb 0.00 -3.96 -0.06 0.00 0.52 0.00 0.00 34.95 31.46 1nr3 s ARG 96 CO 0.00 -0.82 0.08 0.42 0.02 0.00 0.00 175.30 175.00 1nr3 s ILE 97 N 1.63 1.98 0.03 1.52 1.09 -1.26 -4.89 121.20 121.29 1nr3 s ILE 97 Ca 0.04 -1.87 -0.01 0.00 -1.10 0.00 0.00 60.65 57.71 1nr3 s ILE 97 Cb -0.21 -2.85 -0.04 0.00 -1.06 0.00 0.00 42.46 38.30 1nr3 s ILE 97 CO 0.08 0.00 0.20 0.54 -0.10 0.00 0.00 174.94 175.66 1nr3 s VAL 98 N -2.70 5.40 0.16 2.92 0.11 -1.26 -5.09 120.40 119.94 1nr3 s VAL 98 Ca 0.33 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 1nr3 s VAL 98 Cb 0.06 -3.58 0.01 0.00 -1.53 0.00 0.00 36.38 31.34 1nr3 s VAL 98 CO 0.18 0.22 0.10 0.00 -3.33 0.00 0.00 175.10 172.27 1nr3 n HIS 99 N 0.58 -0.94 -3.62 1.54 1.44 -1.26 -4.65 115.22 108.30 1nr3 n HIS 99 Ca -0.08 -0.70 -0.17 0.00 -2.01 0.00 0.00 57.72 54.76 1nr3 n HIS 99 Cb 0.52 -0.13 -0.15 0.00 0.12 0.00 0.00 29.99 30.35 1nr3 n HIS 99 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 1nr3 s ARG 100 N -2.65 0.09 0.01 -1.40 1.70 -1.26 -5.01 118.95 110.44 1nr3 s ARG 100 Ca 0.07 0.48 0.06 0.00 -0.47 0.00 0.00 55.73 55.87 1nr3 s ARG 100 Cb -0.01 -0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 33.81 1nr3 s ARG 100 CO 0.05 -0.41 -0.17 0.54 -1.08 0.00 0.00 175.30 174.23 1nr3 s VAL 101 N 2.32 2.88 -0.55 4.99 0.11 -1.26 -5.00 120.40 123.88 1nr3 s VAL 101 Ca 0.04 -1.04 0.04 0.00 -2.93 0.00 0.00 61.98 58.09 1nr3 s VAL 101 Cb -0.13 -2.18 0.16 0.00 -1.53 0.00 0.00 36.38 32.70 1nr3 s VAL 101 CO -0.08 0.41 0.40 0.54 -3.33 0.00 0.00 175.10 173.04 1nr3 s VAL 102 N -0.87 1.72 0.00 2.04 0.11 -1.26 -3.09 120.40 119.06 1nr3 s VAL 102 Ca 0.14 -3.40 0.00 0.00 -2.93 0.00 0.00 61.98 55.79 1nr3 s VAL 102 Cb -0.11 -2.15 0.00 0.00 -1.53 0.00 0.00 36.38 32.59 1nr3 s VAL 102 CO 0.04 -1.07 0.00 1.17 -3.33 0.00 0.00 175.10 171.91 1nr3 n LYS 103 N 2.55 0.00 -4.39 1.54 3.00 -1.26 -4.77 118.16 114.83 1nr3 n LYS 103 Ca 0.22 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.31 1nr3 n LYS 103 Cb 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.34 1nr3 n LYS 103 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1nr3 s SER 104 N -0.80 2.03 0.12 3.14 0.01 -1.26 -5.04 113.70 111.90 1nr3 s SER 104 Ca 0.00 -1.63 -0.20 0.00 1.31 0.00 0.00 55.95 55.43 1nr3 s SER 104 Cb 0.00 0.45 -0.07 0.00 0.21 0.00 0.00 66.02 66.61 1nr3 s SER 104 CO 0.00 -0.93 0.63 -0.62 0.41 0.00 0.00 173.24 172.73 1nr3 s ASP 105 N -3.46 7.09 0.17 2.44 -1.08 -1.26 -4.43 116.67 116.13 1nr3 s ASP 105 Ca 0.32 1.33 -0.06 0.00 -0.52 0.00 0.00 52.55 53.62 1nr3 s ASP 105 Cb 0.04 -2.38 -0.02 0.00 -1.46 0.00 0.00 42.92 39.09 1nr3 s ASP 105 CO 0.18 0.20 0.22 -0.36 0.52 0.00 0.00 175.17 175.94 1nr3 s PHE 106 N -1.23 0.63 -0.05 -5.34 0.40 -0.33 -4.19 117.98 107.86 1nr3 s PHE 106 Ca 0.34 -0.97 -0.14 0.00 -0.60 0.00 0.00 56.93 55.56 1nr3 s PHE 106 Cb -0.19 -0.22 0.03 0.00 0.51 0.00 0.00 43.02 43.15 1nr3 s PHE 106 CO 0.21 -0.68 0.32 -1.83 0.70 0.00 0.00 175.22 173.93 1nr3 s GLU 107 N -4.02 0.58 -0.05 0.44 -1.05 0.22 0.34 118.70 115.15 1nr3 s GLU 107 Ca 0.23 0.03 -0.10 0.00 -0.15 0.00 0.00 54.97 54.98 1nr3 s GLU 107 Cb 0.05 0.26 0.02 0.00 -0.44 0.00 0.00 34.13 34.01 1nr3 s GLU 107 CO 0.03 -0.14 0.23 0.42 0.95 0.00 0.00 175.26 176.76 1nr3 s ILE 108 N -0.82 0.04 0.21 1.83 1.09 -0.19 -1.90 121.20 121.46 1nr3 s ILE 108 Ca -0.09 -0.30 -0.23 0.00 -1.10 0.00 0.00 60.65 58.93 1nr3 s ILE 108 Cb -0.04 -0.43 0.04 0.00 -1.06 0.00 0.00 42.46 40.97 1nr3 s ILE 108 CO 0.03 -0.17 0.83 -0.83 -0.10 0.00 0.00 174.94 174.71 1nr3 s GLY 109 N -0.63 -0.18 0.27 6.18 0.00 0.25 -1.03 107.32 112.18 1nr3 s GLY 109 Ca -0.07 -0.05 -0.14 0.00 0.00 0.00 0.00 44.72 44.45 1nr3 s GLY 109 CO 0.02 -0.03 0.55 0.54 0.00 0.00 0.00 173.10 174.18 1nr3 s VAL 110 N -3.60 0.00 -0.03 1.40 0.11 0.16 0.47 120.40 118.91 1nr3 s VAL 110 Ca 0.11 -1.30 0.04 0.00 -2.93 0.00 0.00 61.98 57.90 1nr3 s VAL 110 Cb -0.04 -2.21 -0.06 0.00 -1.53 0.00 0.00 36.38 32.55 1nr3 s VAL 110 CO 0.04 0.00 0.04 0.35 -3.33 0.00 0.00 175.10 172.20 1nr3 n THR 111 N -0.42 0.18 0.00 5.04 -2.24 -1.16 -0.29 114.28 115.39 1nr3 n THR 111 Ca -0.02 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1nr3 n THR 111 Cb 0.61 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.97 0.00 0.00 -0.78 1.74 -1.26 -1.68 116.66 112.70 1nr3 n ARG 112 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1nr3 n ARG 112 Cb 0.45 -0.07 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 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 -2.07 0.00 0.00 0.55 2.03 -1.26 -4.64 116.55 111.16 1nr3 n ASP 113 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1nr3 n ASP 113 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1nr3 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nr3 n GLY 114 N 0.00 0.38 3.74 0.27 0.00 -1.26 -4.44 105.19 103.88 1nr3 n GLY 114 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.60 4.74 0.22 1.61 1.03 -1.26 -4.85 118.70 119.60 1nr3 s GLU 115 Ca 0.00 1.49 0.03 0.00 0.03 0.00 0.00 54.97 56.52 1nr3 s GLU 115 Cb 0.00 -3.33 -0.05 0.00 -0.80 0.00 0.00 34.13 29.95 1nr3 s GLU 115 CO 0.00 0.30 0.02 0.96 -1.33 0.00 0.00 175.26 175.21 1nr3 s ILE 116 N -0.44 0.84 -0.01 1.83 -0.00 -1.26 -2.98 121.20 119.19 1nr3 s ILE 116 Ca 0.45 -2.01 0.04 0.00 -0.00 0.00 0.00 60.65 59.13 1nr3 s ILE 116 Cb -0.25 -2.35 -0.01 0.00 -0.00 0.00 0.00 42.46 39.86 1nr3 s ILE 116 CO 0.31 -0.30 -0.12 0.27 -0.00 0.00 0.00 174.94 175.11 1nr3 s ILE 117 N -3.55 0.92 0.07 8.37 -5.25 0.18 -4.93 121.20 117.01 1nr3 s ILE 117 Ca 0.29 -0.50 -0.12 0.00 -0.99 0.00 0.00 60.65 59.33 1nr3 s ILE 117 Cb 0.06 -0.77 0.01 0.00 2.95 0.00 0.00 42.46 44.71 1nr3 s ILE 117 CO 0.08 0.26 0.27 0.68 -1.79 0.00 0.00 174.94 174.45 1nr3 s VAL 118 N -0.24 0.10 0.09 8.37 -7.23 -1.25 0.86 120.40 121.09 1nr3 s VAL 118 Ca 0.04 -0.84 -0.27 0.00 -1.81 0.00 0.00 61.98 59.10 1nr3 s VAL 118 Cb -0.05 -1.09 0.09 0.00 0.56 0.00 0.00 36.38 35.89 1nr3 s VAL 118 CO -0.00 -0.46 1.10 -0.62 -0.31 0.00 0.00 175.10 174.80 1nr3 s ASP 119 N -2.42 -0.12 -0.03 4.85 -1.08 -0.80 -4.93 116.67 112.15 1nr3 s ASP 119 Ca -0.01 -0.31 0.15 0.00 -0.52 0.00 0.00 52.55 51.86 1nr3 s ASP 119 Cb 0.01 0.35 0.46 0.00 -1.46 0.00 0.00 42.92 42.28 1nr3 s ASP 119 CO -0.07 -0.66 1.38 0.00 0.52 0.00 0.00 175.17 176.34 1nr3 n LEU 120 N -0.50 3.48 -1.59 -1.34 -0.00 -1.26 0.72 117.00 116.52 1nr3 n LEU 120 Ca -0.07 -2.16 0.00 0.00 -0.00 0.00 0.00 56.01 53.79 1nr3 n LEU 120 Cb 0.61 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1nr3 n LEU 120 CO 0.13 0.80 -0.46 -3.20 -0.00 0.00 0.00 177.39 174.66 1nr3 n ASN 121 N 0.75 -8.57 -0.03 1.45 5.15 -1.26 -4.38 115.26 108.37 1nr3 n ASN 121 Ca 0.17 1.41 0.00 0.00 -0.60 0.00 0.00 54.58 55.57 1nr3 n ASN 121 Cb 0.57 -4.88 0.00 0.00 -0.53 0.00 0.00 39.78 34.94 1nr3 n ASN 121 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12