#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr3 s ARG 2 N 0.00 0.33 -0.15 0.03 6.06 -1.26 -5.15 118.95 118.82 1nr3 s ARG 2 Ca 0.00 0.68 -0.19 0.00 -2.50 0.00 0.00 55.73 53.73 1nr3 s ARG 2 Cb 0.00 0.25 -0.04 0.00 0.06 0.00 0.00 34.95 35.22 1nr3 s ARG 2 CO 0.00 -0.09 0.52 -1.21 -2.50 0.00 0.00 175.30 172.02 1nr3 s GLU 3 N 1.85 4.28 0.00 5.12 2.02 -1.26 -5.01 118.70 125.70 1nr3 s GLU 3 Ca -0.06 0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.41 1nr3 s GLU 3 Cb -0.05 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.69 1nr3 s GLU 3 CO -0.16 0.01 0.00 -2.13 0.02 0.00 0.00 175.26 173.00 1nr3 n ARG 4 N 4.19 0.00 0.00 1.61 3.00 -1.26 -5.17 116.66 119.03 1nr3 n ARG 4 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1nr3 n ARG 4 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 1nr3 n ARG 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1nr3 n GLY 5 N -0.22 0.46 2.84 5.14 0.00 -1.26 -4.81 105.19 107.34 1nr3 n GLY 5 Ca 0.00 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 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 3.01 2.99 0.01 1.61 4.27 -1.26 -4.51 117.44 123.56 1nr3 n TRP 6 Ca 0.00 -2.40 -0.21 0.00 -3.89 0.00 0.00 57.50 51.00 1nr3 n TRP 6 Cb 0.00 -1.22 -0.14 0.00 -1.36 0.00 0.00 31.31 28.59 1nr3 n TRP 6 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 1nr3 h SER 7 N 2.88 0.36 0.00 -0.67 4.64 -1.99 -3.46 113.55 115.31 1nr3 h SER 7 Ca 0.57 -0.87 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1nr3 h SER 7 Cb 0.13 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1nr3 h SER 7 CO 1.45 1.50 0.00 1.67 -0.87 0.00 0.00 176.83 180.58 1nr3 n GLN 8 N -4.07 0.00 0.00 4.77 7.27 -1.26 -5.08 117.38 119.01 1nr3 n GLN 8 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.86 1nr3 n GLN 8 Cb 0.83 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.48 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 3.00 -1.26 -5.03 118.16 118.56 1nr3 n LYS 9 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1nr3 n LYS 9 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 35.03 34.37 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 -1.16 0.00 0.00 1.64 4.81 -1.26 -4.89 118.16 117.30 1nr3 n LYS 10 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1nr3 n LYS 10 Cb 0.00 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.28 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 -1.25 0.95 -0.38 3.15 5.41 -1.26 -3.16 119.36 122.82 1nr3 n ILE 11 Ca 0.00 0.24 0.35 0.00 1.00 0.00 0.00 62.75 64.34 1nr3 n ILE 11 Cb 0.00 -1.08 0.61 0.00 -0.71 0.00 0.00 39.64 38.46 1nr3 n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nr3 n ALA 12 N -1.35 1.15 0.14 -1.39 0.00 -1.26 0.16 120.51 117.97 1nr3 n ALA 12 Ca 0.04 0.90 -0.13 0.00 0.00 0.00 0.00 53.44 54.24 1nr3 n ALA 12 Cb 0.09 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 1nr3 n ALA 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1nr3 h ARG 13 N 0.00 -0.43 -0.05 0.00 0.11 -1.96 0.33 114.38 112.38 1nr3 h ARG 13 Ca 0.83 0.03 0.01 0.00 0.10 0.00 0.00 59.98 60.95 1nr3 h ARG 13 Cb 2.44 0.10 -0.00 0.00 1.11 0.00 0.00 29.97 33.62 1nr3 h ARG 13 CO -0.58 -0.29 0.03 1.49 0.10 0.00 0.00 179.97 180.72 1nr3 h GLU 14 N -0.45 0.01 -0.01 0.08 4.81 0.13 -1.40 114.58 117.76 1nr3 h GLU 14 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1nr3 h GLU 14 Cb 0.43 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1nr3 h GLU 14 CO -0.07 0.01 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.15 1nr3 h LEU 15 N 0.01 0.01 -1.53 1.64 4.07 -0.02 0.84 115.31 120.34 1nr3 h LEU 15 Ca 0.02 -0.51 0.14 0.00 0.08 0.00 0.00 57.88 57.60 1nr3 h LEU 15 Cb 0.07 -0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 1nr3 h LEU 15 CO -0.00 0.53 0.50 0.50 -1.08 0.00 0.00 178.44 178.89 1nr3 h LYS 16 N -0.50 0.46 0.00 1.13 3.64 0.36 0.32 116.57 121.99 1nr3 h LYS 16 Ca 0.00 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 1nr3 h LYS 16 Cb 0.52 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1nr3 h LYS 16 CO 0.00 0.31 -0.75 1.15 -2.27 0.00 0.00 179.45 177.89 1nr3 h THR 17 N 0.48 1.34 -1.62 1.00 2.02 -1.13 -3.45 112.91 111.54 1nr3 h THR 17 Ca 0.37 -2.76 -0.04 0.00 0.77 0.00 0.00 66.41 64.74 1nr3 h THR 17 Cb 0.75 2.58 0.02 0.00 -1.74 0.00 0.00 68.15 69.76 1nr3 h THR 17 CO -0.13 0.74 0.01 1.07 0.37 0.00 0.00 175.52 177.58 1nr3 n THR 18 N -3.35 0.00 -0.29 3.16 5.66 0.11 -4.96 114.28 114.61 1nr3 n THR 18 Ca 0.01 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1nr3 n THR 18 Cb 0.81 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 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 -1.91 0.00 -2.87 1.09 1.85 -1.26 -4.98 116.66 108.58 1nr3 n ARG 19 Ca 0.02 0.29 -0.22 0.00 -1.00 0.00 0.00 57.85 56.93 1nr3 n ARG 19 Cb 0.06 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.45 1nr3 n ARG 19 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1nr3 n GLN 20 N 0.64 2.41 -1.31 2.89 0.00 -1.26 -4.84 117.38 115.91 1nr3 n GLN 20 Ca 0.00 -4.19 -0.08 0.00 -0.00 0.00 0.00 57.00 52.74 1nr3 n GLN 20 Cb 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 30.24 28.24 1nr3 n GLN 20 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1nr3 n ASN 21 N -0.14 -3.81 -0.64 1.69 5.15 -1.26 -5.00 115.26 111.25 1nr3 n ASN 21 Ca 0.28 0.17 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 1nr3 n ASN 21 Cb 0.58 -2.10 0.00 0.00 -0.53 0.00 0.00 39.78 37.73 1nr3 n ASN 21 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1nr3 n VAL 22 N -2.89 0.00 0.02 3.44 3.14 -1.26 -4.97 118.33 115.80 1nr3 n VAL 22 Ca -0.08 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.16 1nr3 n VAL 22 Cb 0.28 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.97 1nr3 n VAL 22 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1nr3 h SER 23 N 0.00 -1.53 -6.96 6.55 4.64 -1.97 -3.45 113.55 110.84 1nr3 h SER 23 Ca 0.00 0.18 -0.55 0.00 -0.47 0.00 0.00 61.79 60.95 1nr3 h SER 23 Cb 0.00 0.59 -0.09 0.00 -0.31 0.00 0.00 62.40 62.59 1nr3 h SER 23 CO 0.00 -0.45 -0.89 0.00 -0.87 0.00 0.00 176.83 174.62 1nr3 n ALA 24 N -2.94 -2.20 -0.04 5.18 0.00 -1.26 -4.62 120.51 114.62 1nr3 n ALA 24 Ca -0.06 -0.47 0.24 0.00 0.00 0.00 0.00 53.44 53.15 1nr3 n ALA 24 Cb 0.35 -1.59 0.72 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.80 0.47 0.02 0.00 2.04 -1.96 0.29 117.51 116.57 1nr3 h ILE 25 Ca -0.62 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1nr3 h ILE 25 Cb 1.25 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1nr3 h ILE 25 CO 0.54 0.00 -0.01 1.05 0.00 0.00 0.00 178.15 179.72 1nr3 h GLU 26 N 0.00 -0.03 -0.63 2.37 4.11 -1.98 -0.06 114.58 118.36 1nr3 h GLU 26 Ca 0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.74 1nr3 h GLU 26 Cb 1.41 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.64 1nr3 h GLU 26 CO -0.00 0.58 0.38 -0.09 0.07 0.00 0.00 179.01 179.95 1nr3 h ARG 27 N -0.68 0.85 0.80 1.06 2.43 -1.17 0.19 114.38 117.86 1nr3 h ARG 27 Ca -0.00 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1nr3 h ARG 27 Cb 0.63 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1nr3 h ARG 27 CO 0.01 0.61 -0.39 0.87 -1.51 0.00 0.00 179.97 179.56 1nr3 h LYS 28 N 0.85 -1.04 -0.82 0.20 6.56 -0.61 0.46 116.57 122.16 1nr3 h LYS 28 Ca 0.22 0.07 0.20 0.00 -1.06 0.00 0.00 60.65 60.08 1nr3 h LYS 28 Cb -0.02 0.24 -0.12 0.00 -0.57 0.00 0.00 32.23 31.75 1nr3 h LYS 28 CO -0.04 -0.69 0.24 0.00 -2.06 0.00 0.00 179.45 176.89 1nr3 h ALA 29 N -1.33 1.15 0.00 3.86 0.00 -0.92 1.48 119.26 123.51 1nr3 h ALA 29 Ca -0.11 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1nr3 h ALA 29 Cb 0.83 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nr3 h ALA 29 CO 0.18 -0.38 -0.04 0.52 0.00 0.00 0.00 179.25 179.54 1nr3 h MET 30 N 0.28 0.00 -1.99 0.00 2.86 -0.46 -3.02 114.93 112.59 1nr3 h MET 30 Ca 0.49 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 58.00 1nr3 h MET 30 Cb 0.91 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.52 1nr3 h MET 30 CO -0.57 0.04 -0.23 0.39 1.06 0.00 0.00 176.91 177.60 1nr3 n GLU 31 N -3.14 1.64 -3.16 1.72 -0.58 0.50 -4.65 120.64 112.98 1nr3 n GLU 31 Ca 0.01 -0.67 -0.19 0.00 -0.42 0.00 0.00 57.16 55.90 1nr3 n GLU 31 Cb 0.35 -1.64 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 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 2.09 -2.93 -4.65 1.62 4.13 -1.22 -4.76 115.26 109.54 1nr3 n ASN 32 Ca 0.27 -0.20 -0.52 0.00 1.68 0.00 0.00 54.58 55.82 1nr3 n ASN 32 Cb 0.76 -2.49 -0.06 0.00 -1.54 0.00 0.00 39.78 36.45 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 -3.55 0.16 0.00 2.41 3.06 -1.14 -4.43 119.36 115.88 1nr3 n ILE 33 Ca -0.02 -0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 1nr3 n ILE 33 Cb 0.53 -1.21 0.00 0.00 0.54 0.00 0.00 39.64 39.50 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 4.03 0.00 -2.24 9.51 2.13 -1.26 -4.96 120.64 127.84 1nr3 n GLU 34 Ca 0.21 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.82 1nr3 n GLU 34 Cb 0.21 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.94 1nr3 n GLU 34 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1nr3 n LYS 35 N -0.46 3.22 0.00 5.31 4.81 -1.26 -4.89 118.16 124.89 1nr3 n LYS 35 Ca 0.00 -4.10 0.00 0.00 -0.87 0.00 0.00 58.31 53.34 1nr3 n LYS 35 Cb 0.00 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 32.91 1nr3 n LYS 35 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1nr3 n SER 36 N -0.63 0.00 -0.05 3.14 7.64 -1.26 -5.14 113.62 117.32 1nr3 n SER 36 Ca 0.37 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1nr3 n SER 36 Cb 0.88 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 1nr3 n SER 36 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nr3 n ARG 37 N 0.00 0.00 -0.82 1.43 1.74 -1.26 -4.83 116.66 112.91 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 -3.49 0.00 0.00 0.55 5.15 -1.26 -4.94 115.26 111.27 1nr3 n ASN 38 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1nr3 n ASN 38 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 -2.00 0.00 -0.38 -0.44 -1.04 -1.26 -1.44 114.28 107.72 1nr3 n THR 39 Ca 0.00 0.10 0.38 0.00 -2.04 0.00 0.00 64.05 62.49 1nr3 n THR 39 Cb 0.00 -0.30 0.70 0.00 -1.82 0.00 0.00 70.33 68.91 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 0.47 -4.42 -0.00 -1.92 0.69 115.31 110.13 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 -0.22 -0.78 -0.00 0.00 0.00 178.44 177.44 1nr3 h ASP 41 N 0.00 -0.53 -0.76 0.17 1.82 -1.94 0.29 116.42 115.47 1nr3 h ASP 41 Ca 0.64 -0.08 0.19 0.00 -0.39 0.00 0.00 57.03 57.38 1nr3 h ASP 41 Cb 2.83 0.14 -0.04 0.00 0.68 0.00 0.00 39.33 42.93 1nr3 h ASP 41 CO -0.01 -0.16 0.53 0.15 -1.61 0.00 0.00 179.24 178.14 1nr3 h PHE 42 N -0.97 0.21 0.00 0.28 3.57 0.15 0.66 116.94 120.84 1nr3 h PHE 42 Ca -0.06 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.27 1nr3 h PHE 42 Cb 0.59 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1nr3 h PHE 42 CO 0.01 0.07 -0.85 0.28 -2.23 0.00 0.00 178.31 175.59 1nr3 h VAL 43 N 0.17 1.24 -0.28 1.41 2.07 -1.11 -3.21 116.25 116.53 1nr3 h VAL 43 Ca 0.37 -2.79 -0.09 0.00 0.82 0.00 0.00 66.70 65.01 1nr3 h VAL 43 Cb 1.22 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 1nr3 h VAL 43 CO -0.06 0.71 -0.22 0.07 0.02 0.00 0.00 177.57 178.08 1nr3 h LYS 44 N 0.00 0.53 -0.80 1.57 5.09 0.41 -2.70 116.57 120.67 1nr3 h LYS 44 Ca -0.03 -0.19 0.06 0.00 0.09 0.00 0.00 60.65 60.58 1nr3 h LYS 44 Cb 1.61 -0.04 -0.06 0.00 0.10 0.00 0.00 32.23 33.84 1nr3 h LYS 44 CO 0.09 0.72 0.49 1.03 -2.09 0.00 0.00 179.45 179.69 1nr3 h SER 45 N 0.47 0.75 -0.92 7.07 0.87 -1.15 -1.97 113.55 118.67 1nr3 h SER 45 Ca 0.07 0.02 0.19 0.00 -1.23 0.00 0.00 61.79 60.85 1nr3 h SER 45 Cb 0.65 -0.13 -0.17 0.00 -0.44 0.00 0.00 62.40 62.30 1nr3 h SER 45 CO 0.05 0.48 -0.19 0.18 -0.53 0.00 0.00 176.83 176.81 1nr3 n LEU 46 N -4.67 -0.30 -2.54 2.23 4.77 -1.02 -4.83 117.00 110.65 1nr3 n LEU 46 Ca 0.11 1.58 -0.07 0.00 -0.03 0.00 0.00 56.01 57.60 1nr3 n LEU 46 Cb 0.18 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1nr3 n LEU 46 CO 0.30 -1.52 0.07 1.17 -1.33 0.00 0.00 177.39 176.08 1nr3 n LYS 47 N -5.48 -1.23 -3.82 3.23 4.81 -0.74 -5.02 118.16 109.92 1nr3 n LYS 47 Ca 0.16 0.68 -0.35 0.00 -0.87 0.00 0.00 58.31 57.92 1nr3 n LYS 47 Cb 0.49 -4.14 -0.09 0.00 0.02 0.00 0.00 35.03 31.32 1nr3 n LYS 47 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1nr3 s SER 48 N -3.08 6.02 0.51 3.14 1.04 -1.25 -4.78 113.70 115.30 1nr3 s SER 48 Ca 0.21 0.18 -0.19 0.00 0.48 0.00 0.00 55.95 56.63 1nr3 s SER 48 Cb -0.03 -2.05 -0.07 0.00 0.10 0.00 0.00 66.02 63.97 1nr3 s SER 48 CO 0.45 0.18 1.04 -2.16 0.98 0.00 0.00 173.24 173.73 1nr3 s PRO 49 N 0.37 3.69 -0.09 4.02 0.04 -1.16 -4.33 135.00 137.55 1nr3 s PRO 49 Ca 0.06 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.24 1nr3 s PRO 49 Cb -0.11 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1nr3 s PRO 49 CO -0.01 -0.52 0.42 0.08 0.04 0.00 0.00 177.00 177.01 1nr3 s VAL 50 N -2.11 0.02 -0.02 -0.36 1.01 0.93 -4.96 120.40 114.91 1nr3 s VAL 50 Ca 0.66 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.45 1nr3 s VAL 50 Cb -0.16 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1nr3 s VAL 50 CO 0.24 -0.10 0.04 0.00 0.00 0.00 0.00 175.10 175.28 1nr3 s ARG 51 N -0.60 -0.01 -0.05 2.72 3.03 -1.26 -0.29 118.95 122.48 1nr3 s ARG 51 Ca -0.07 0.18 -0.17 0.00 2.03 0.00 0.00 55.73 57.70 1nr3 s ARG 51 Cb -0.03 -0.20 0.03 0.00 -1.03 0.00 0.00 34.95 33.72 1nr3 s ARG 51 CO 0.03 -0.14 0.39 0.96 -1.13 0.00 0.00 175.30 175.41 1nr3 s ILE 52 N 0.91 0.04 0.10 4.99 -4.36 -0.46 -4.64 121.20 117.76 1nr3 s ILE 52 Ca -0.07 -0.29 -0.05 0.00 -0.26 0.00 0.00 60.65 59.98 1nr3 s ILE 52 Cb -0.11 -0.66 -0.05 0.00 1.25 0.00 0.00 42.46 42.89 1nr3 s ILE 52 CO -0.03 -0.16 0.33 -0.22 0.24 0.00 0.00 174.94 175.10 1nr3 s LEU 53 N -0.94 4.31 -0.17 0.37 0.20 -1.26 -1.20 118.68 119.99 1nr3 s LEU 53 Ca -0.10 0.55 -0.02 0.00 0.69 0.00 0.00 54.13 55.25 1nr3 s LEU 53 Cb -0.04 -3.12 -0.01 0.00 -0.43 0.00 0.00 46.19 42.59 1nr3 s LEU 53 CO 0.04 0.12 -0.09 0.00 -0.29 0.00 0.00 176.35 176.13 1nr3 n ARG 55 N 3.98 1.33 -1.65 0.00 5.12 -1.26 -1.74 116.66 122.44 1nr3 n ARG 55 Ca -0.18 -1.27 -0.50 0.00 -1.93 0.00 0.00 57.85 53.97 1nr3 n ARG 55 Cb 0.52 0.22 -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 -0.78 1.72 -0.02 5.56 1.74 -1.26 -4.71 116.66 118.91 1nr3 n ARG 56 Ca -0.03 0.63 0.23 0.00 -0.77 0.00 0.00 57.85 57.90 1nr3 n ARG 56 Cb 0.23 -2.36 0.62 0.00 -1.02 0.00 0.00 32.46 29.93 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 6.23 0.00 1.49 -0.13 0.00 -1.86 1.30 103.07 110.11 1nr3 h GLY 57 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1nr3 h GLY 57 CO 0.87 0.00 0.12 -1.80 0.00 0.00 0.00 176.54 175.73 1nr3 h ASP 58 N 0.00 0.60 -0.64 0.19 3.58 -1.92 -1.15 116.42 117.08 1nr3 h ASP 58 Ca 0.31 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1nr3 h ASP 58 Cb 1.84 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.73 1nr3 h ASP 58 CO -0.00 0.58 0.00 1.07 -2.88 0.00 0.00 179.24 178.01 1nr3 n THR 59 N -4.32 0.85 -0.34 2.25 5.66 0.44 -4.42 114.28 114.39 1nr3 n THR 59 Ca 0.03 -0.92 0.14 0.00 -3.05 0.00 0.00 64.05 60.25 1nr3 n THR 59 Cb 0.19 0.65 0.34 0.00 -1.55 0.00 0.00 70.33 69.96 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 4.40 0.69 -0.12 1.09 5.85 -0.37 2.24 115.31 129.09 1nr3 h LEU 60 Ca 0.00 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1nr3 h LEU 60 Cb 1.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1nr3 h LEU 60 CO 0.00 0.19 -0.00 -2.24 -0.34 0.00 0.00 178.44 176.05 1nr3 h ASP 61 N 0.66 -0.05 -0.19 1.25 3.04 -1.77 0.10 116.42 119.46 1nr3 h ASP 61 Ca 0.59 0.03 -0.18 0.00 -3.24 0.00 0.00 57.03 54.23 1nr3 h ASP 61 Cb 1.01 0.05 0.01 0.00 -1.04 0.00 0.00 39.33 39.35 1nr3 h ASP 61 CO -0.43 -0.01 -0.59 -0.08 -2.04 0.00 0.00 179.24 176.10 1nr3 h GLU 62 N 0.04 0.74 -0.58 4.15 4.81 -0.92 -2.95 114.58 119.88 1nr3 h GLU 62 Ca 0.06 -0.54 0.14 0.00 -0.13 0.00 0.00 59.36 58.89 1nr3 h GLU 62 Cb 0.07 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1nr3 h GLU 62 CO -0.10 1.16 0.40 0.97 -0.73 0.00 0.00 179.01 180.72 1nr3 h ILE 63 N 0.46 0.78 -0.42 2.32 -0.00 0.39 0.15 117.51 121.19 1nr3 h ILE 63 Ca -0.02 -0.05 -0.02 0.00 -0.00 0.00 0.00 64.86 64.76 1nr3 h ILE 63 Cb 1.21 0.61 -0.02 0.00 -0.00 0.00 0.00 36.82 38.62 1nr3 h ILE 63 CO 0.13 0.03 0.17 0.40 -0.00 0.00 0.00 178.15 178.88 1nr3 h ILE 64 N 0.16 1.20 -0.84 2.19 2.04 -0.62 0.93 117.51 122.56 1nr3 h ILE 64 Ca 0.28 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1nr3 h ILE 64 Cb 0.88 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1nr3 h ILE 64 CO -0.04 0.22 0.46 0.50 0.00 0.00 0.00 178.15 179.29 1nr3 h LYS 65 N 0.54 1.18 -0.12 2.37 3.64 -0.75 0.15 116.57 123.57 1nr3 h LYS 65 Ca 0.14 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1nr3 h LYS 65 Cb 0.18 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1nr3 h LYS 65 CO -0.01 0.87 -0.63 0.00 -2.27 0.00 0.00 179.45 177.41 1nr3 h ARG 66 N 1.17 0.44 0.03 1.90 2.47 -0.81 -3.03 114.38 116.55 1nr3 h ARG 66 Ca 0.30 -0.31 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1nr3 h ARG 66 Cb 0.03 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1nr3 h ARG 66 CO -0.05 0.92 -0.01 -0.07 0.56 0.00 0.00 179.97 181.32 1nr3 h LEU 67 N 0.32 -0.03 -0.84 3.04 3.38 0.16 -2.72 115.31 118.62 1nr3 h LEU 67 Ca -0.01 -0.21 0.20 0.00 0.09 0.00 0.00 57.88 57.96 1nr3 h LEU 67 Cb 1.17 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 1nr3 h LEU 67 CO 0.11 0.19 0.28 0.17 0.09 0.00 0.00 178.44 179.27 1nr3 h LEU 68 N -0.25 0.14 -2.42 1.67 8.10 -0.72 1.90 115.31 123.73 1nr3 h LEU 68 Ca -0.00 0.16 0.02 0.00 0.11 0.00 0.00 57.88 58.17 1nr3 h LEU 68 Cb 0.24 0.19 -0.00 0.00 -0.44 0.00 0.00 40.66 40.64 1nr3 h LEU 68 CO 0.01 -0.05 0.11 -0.33 -4.11 0.00 0.00 178.44 174.07 1nr3 h GLU 69 N 0.31 0.00 0.08 0.17 4.39 -1.36 2.66 114.58 120.83 1nr3 h GLU 69 Ca 0.50 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.84 1nr3 h GLU 69 Cb 0.94 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.55 1nr3 h GLU 69 CO -0.55 0.00 -2.11 0.39 -1.16 0.00 0.00 179.01 175.58 1nr3 n GLU 70 N -3.63 0.72 -0.03 2.33 -0.58 0.58 -3.96 120.64 116.07 1nr3 n GLU 70 Ca -0.01 0.25 -0.02 0.00 -0.42 0.00 0.00 57.16 56.96 1nr3 n GLU 70 Cb 0.21 -1.66 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 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 -0.01 0.00 -1.43 1.62 0.02 0.13 -3.32 113.55 110.55 1nr3 h SER 71 Ca -0.47 0.00 0.48 0.00 -0.84 0.00 0.00 61.79 60.96 1nr3 h SER 71 Cb 1.96 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 64.37 1nr3 h SER 71 CO 0.02 0.34 0.94 -3.20 -1.14 0.00 0.00 176.83 173.79 1nr3 n ASN 72 N -3.39 0.17 0.12 3.07 5.15 0.88 0.22 115.26 121.49 1nr3 n ASN 72 Ca -0.03 1.28 -0.13 0.00 -0.60 0.00 0.00 54.58 55.11 1nr3 n ASN 72 Cb 0.10 -0.63 -0.07 0.00 -0.53 0.00 0.00 39.78 38.65 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 -0.30 -0.34 1.20 1.79 -1.60 -2.06 116.57 115.27 1nr3 h LYS 73 Ca 0.86 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.35 1nr3 h LYS 73 Cb 2.90 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 33.62 1nr3 h LYS 73 CO -0.38 -0.20 0.00 -0.85 -1.08 0.00 0.00 179.45 176.94 1nr3 n GLU 74 N -5.25 2.09 -2.86 3.15 0.28 0.60 -4.92 120.64 113.73 1nr3 n GLU 74 Ca -0.08 -1.66 -0.10 0.00 -0.16 0.00 0.00 57.16 55.16 1nr3 n GLU 74 Cb 0.17 -1.43 -0.02 0.00 1.43 0.00 0.00 31.44 31.59 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 1.29 3.87 3.94 -1.84 0.00 0.60 -5.06 105.19 107.99 1nr3 n GLY 75 Ca 0.17 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.92 4.38 -0.82 -0.61 1.10 -1.26 -4.67 121.20 117.41 1nr3 s ILE 76 Ca 0.05 -0.37 -0.28 0.00 -0.51 0.00 0.00 60.65 59.54 1nr3 s ILE 76 Cb 0.00 -3.63 -0.17 0.00 0.15 0.00 0.00 42.46 38.81 1nr3 s ILE 76 CO 0.03 -0.46 2.56 1.57 -2.11 0.00 0.00 174.94 176.53 1nr3 n HIS 77 N -2.05 0.84 -4.22 3.50 -0.00 -1.26 -4.70 115.22 107.33 1nr3 n HIS 77 Ca -0.00 0.25 -0.17 0.00 0.46 0.00 0.00 57.72 58.26 1nr3 n HIS 77 Cb 0.57 -2.36 -0.15 0.00 -0.12 0.00 0.00 29.99 27.93 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 9.79 0.51 -0.41 3.57 1.01 -1.26 -4.85 120.40 128.75 1nr3 s VAL 78 Ca 1.21 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 63.03 1nr3 s VAL 78 Cb -0.82 -0.45 0.43 0.00 0.00 0.00 0.00 36.38 35.54 1nr3 s VAL 78 CO 0.40 0.16 1.05 2.30 0.00 0.00 0.00 175.10 179.01 1nr3 n ILE 79 N 3.09 1.97 -2.52 2.22 -5.35 -1.26 -4.84 119.36 112.68 1nr3 n ILE 79 Ca -0.15 -4.43 -0.26 0.00 -0.27 0.00 0.00 62.75 57.64 1nr3 n ILE 79 Cb 0.57 -0.72 0.03 0.00 -1.74 0.00 0.00 39.64 37.78 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 -3.40 3.27 0.51 4.28 3.76 -1.26 -4.47 115.29 117.97 1nr3 s HIS 80 Ca 0.42 0.58 0.06 0.00 -0.15 0.00 0.00 55.06 55.97 1nr3 s HIS 80 Cb 0.41 -2.63 0.04 0.00 1.11 0.00 0.00 32.58 31.51 1nr3 s HIS 80 CO -0.12 -0.70 0.70 -0.51 -0.85 0.00 0.00 174.74 173.26 1nr3 s ASP 81 N -4.27 5.33 0.35 1.40 -0.00 -1.26 -4.91 116.67 113.30 1nr3 s ASP 81 Ca 0.52 -0.45 0.13 0.00 -0.00 0.00 0.00 52.55 52.76 1nr3 s ASP 81 Cb -0.10 -0.40 0.63 0.00 -0.00 0.00 0.00 42.92 43.05 1nr3 s ASP 81 CO 0.44 -1.07 1.76 0.28 -0.00 0.00 0.00 175.17 176.57 1nr3 h SER 82 N 0.32 0.00 0.44 0.27 0.02 -1.95 -0.08 113.55 112.57 1nr3 h SER 82 Ca -0.37 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.38 1nr3 h SER 82 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1nr3 h SER 82 CO 0.45 0.44 -0.81 0.40 -1.14 0.00 0.00 176.83 176.17 1nr3 h ILE 83 N 0.00 1.44 -0.04 3.27 2.04 -1.94 -2.96 117.51 119.32 1nr3 h ILE 83 Ca -0.00 -2.39 -0.22 0.00 1.00 0.00 0.00 64.86 63.24 1nr3 h ILE 83 Cb 0.81 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 1nr3 h ILE 83 CO 0.06 0.70 -0.88 0.74 0.00 0.00 0.00 178.15 178.77 1nr3 h THR 84 N 0.17 1.37 -0.94 -0.27 2.02 -1.77 -2.88 112.91 110.60 1nr3 h THR 84 Ca -0.04 -2.29 0.04 0.00 0.77 0.00 0.00 66.41 64.89 1nr3 h THR 84 Cb 1.41 2.28 -0.06 0.00 -1.74 0.00 0.00 68.15 70.05 1nr3 h THR 84 CO 0.13 0.69 0.61 -0.07 0.37 0.00 0.00 175.52 177.25 1nr3 h LEU 85 N 0.30 1.01 -0.52 2.58 4.07 -0.99 1.57 115.31 123.32 1nr3 h LEU 85 Ca -0.07 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 1nr3 h LEU 85 Cb 1.50 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.99 1nr3 h LEU 85 CO 0.16 0.68 0.15 0.00 -1.08 0.00 0.00 178.44 178.35 1nr3 h ALA 86 N 1.40 0.68 0.05 1.53 0.00 -1.48 0.66 119.26 122.10 1nr3 h ALA 86 Ca 0.38 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nr3 h ALA 86 Cb 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1nr3 h ALA 86 CO -0.13 0.35 -0.02 0.35 0.00 0.00 0.00 179.25 179.80 1nr3 h PHE 87 N 0.71 -0.06 -0.06 0.00 3.04 -1.04 0.32 116.94 119.85 1nr3 h PHE 87 Ca 0.17 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.12 1nr3 h PHE 87 Cb 0.30 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1nr3 h PHE 87 CO 0.02 0.46 -0.00 -0.07 -2.02 0.00 0.00 178.31 176.69 1nr3 h LEU 88 N -0.62 -0.03 0.15 0.59 4.07 0.22 -2.73 115.31 116.97 1nr3 h LEU 88 Ca -0.01 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1nr3 h LEU 88 Cb 0.55 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.31 1nr3 h LEU 88 CO 0.01 -0.00 -0.07 0.40 -1.08 0.00 0.00 178.44 177.69 1nr3 h ILE 89 N 0.02 0.89 -1.42 1.22 2.04 0.28 -2.16 117.51 118.38 1nr3 h ILE 89 Ca 0.03 -0.16 0.47 0.00 1.00 0.00 0.00 64.86 66.20 1nr3 h ILE 89 Cb 0.03 0.99 -0.12 0.00 -0.74 0.00 0.00 36.82 36.99 1nr3 h ILE 89 CO -0.05 0.04 0.95 0.54 0.00 0.00 0.00 178.15 179.63 1nr3 n ARG 90 N -5.14 -0.03 -0.03 2.37 1.74 0.11 0.37 116.66 116.05 1nr3 n ARG 90 Ca -0.09 1.13 -0.13 0.00 -0.77 0.00 0.00 57.85 57.99 1nr3 n ARG 90 Cb 0.13 -2.31 -0.08 0.00 -1.02 0.00 0.00 32.46 29.18 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 0.17 -0.08 5.56 4.39 -1.10 0.51 114.58 124.04 1nr3 h GLU 91 Ca 0.83 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.45 1nr3 h GLU 91 Cb 2.86 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.51 1nr3 h GLU 91 CO -0.33 0.58 0.00 0.36 -1.16 0.00 0.00 179.01 178.46 1nr3 n LYS 92 N -4.73 1.71 -2.74 2.33 2.85 0.64 -4.42 118.16 113.80 1nr3 n LYS 92 Ca -0.07 -1.05 -0.06 0.00 -1.05 0.00 0.00 58.31 56.09 1nr3 n LYS 92 Cb 0.28 -1.45 0.03 0.00 -0.65 0.00 0.00 35.03 33.25 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 0.27 -2.10 1.87 0.58 0.00 1.17 -4.89 120.51 117.41 1nr3 n ALA 93 Ca 0.18 -0.97 0.06 0.00 0.00 0.00 0.00 53.44 52.71 1nr3 n ALA 93 Cb 0.35 -1.81 0.33 0.00 0.00 0.00 0.00 19.45 18.32 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 2.26 0.25 0.00 0.00 3.41 0.18 -3.59 113.62 116.13 1nr3 n SER 94 Ca 0.12 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.06 1nr3 n SER 94 Cb 0.61 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 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 -0.52 0.00 -3.71 7.33 8.25 -1.26 -4.93 115.22 120.38 1nr3 n HIS 95 Ca 0.09 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.17 1nr3 n HIS 95 Cb 0.08 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.08 2.90 0.44 -0.41 0.52 -1.26 -5.08 118.95 115.98 1nr3 s ARG 96 Ca 0.00 -1.00 0.06 0.00 -0.52 0.00 0.00 55.73 54.27 1nr3 s ARG 96 Cb 0.00 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 1nr3 s ARG 96 CO 0.00 -0.57 0.14 0.42 0.02 0.00 0.00 175.30 175.31 1nr3 s ILE 97 N 1.49 2.02 -0.03 1.52 1.09 -1.26 -4.82 121.20 121.20 1nr3 s ILE 97 Ca 0.01 -1.79 -0.21 0.00 -1.10 0.00 0.00 60.65 57.56 1nr3 s ILE 97 Cb -0.18 -2.80 -0.05 0.00 -1.06 0.00 0.00 42.46 38.37 1nr3 s ILE 97 CO 0.04 0.00 0.61 0.54 -0.10 0.00 0.00 174.94 176.03 1nr3 s VAL 98 N -2.68 4.98 0.56 2.92 0.11 -1.26 -5.07 120.40 119.96 1nr3 s VAL 98 Ca 0.34 1.28 -0.02 0.00 -2.93 0.00 0.00 61.98 60.64 1nr3 s VAL 98 Cb 0.04 -3.95 0.02 0.00 -1.53 0.00 0.00 36.38 30.96 1nr3 s VAL 98 CO 0.19 0.36 0.83 -1.00 -3.33 0.00 0.00 175.10 172.14 1nr3 s HIS 99 N 0.19 3.07 -0.28 1.54 3.76 -1.26 -4.70 115.29 117.61 1nr3 s HIS 99 Ca 0.32 0.32 -0.03 0.00 -0.15 0.00 0.00 55.06 55.52 1nr3 s HIS 99 Cb -0.18 -2.72 0.11 0.00 1.11 0.00 0.00 32.58 30.90 1nr3 s HIS 99 CO 0.17 -0.83 0.17 0.50 -0.85 0.00 0.00 174.74 173.90 1nr3 s ARG 100 N -4.86 0.22 0.09 1.40 3.00 -1.26 -4.98 118.95 112.55 1nr3 s ARG 100 Ca 0.55 -0.40 0.05 0.00 -1.00 0.00 0.00 55.73 54.93 1nr3 s ARG 100 Cb -0.10 -1.07 -0.04 0.00 0.00 0.00 0.00 34.95 33.74 1nr3 s ARG 100 CO 0.41 -1.00 -0.02 0.54 0.00 0.00 0.00 175.30 175.24 1nr3 s VAL 101 N 2.17 3.91 -0.59 7.11 0.11 -1.26 -4.97 120.40 126.88 1nr3 s VAL 101 Ca 0.09 -1.01 0.04 0.00 -2.93 0.00 0.00 61.98 58.17 1nr3 s VAL 101 Cb -0.15 -2.85 0.15 0.00 -1.53 0.00 0.00 36.38 32.00 1nr3 s VAL 101 CO -0.34 0.14 0.38 0.54 -3.33 0.00 0.00 175.10 172.48 1nr3 s VAL 102 N -1.28 2.38 0.00 2.04 0.11 -1.26 -3.46 120.40 118.93 1nr3 s VAL 102 Ca 0.25 -3.63 0.00 0.00 -2.93 0.00 0.00 61.98 55.66 1nr3 s VAL 102 Cb -0.12 -2.61 0.00 0.00 -1.53 0.00 0.00 36.38 32.13 1nr3 s VAL 102 CO 0.17 -0.95 0.00 1.17 -3.33 0.00 0.00 175.10 172.16 1nr3 n LYS 103 N 2.58 0.00 -4.44 1.54 4.81 -1.26 -4.77 118.16 116.62 1nr3 n LYS 103 Ca 0.15 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.36 1nr3 n LYS 103 Cb 0.35 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.32 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 -0.88 2.34 -0.13 3.14 0.15 -1.26 -5.02 113.70 112.03 1nr3 s SER 104 Ca 0.00 -1.63 -0.06 0.00 0.70 0.00 0.00 55.95 54.96 1nr3 s SER 104 Cb 0.00 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1nr3 s SER 104 CO 0.00 -0.91 0.08 -0.62 1.20 0.00 0.00 173.24 172.99 1nr3 s ASP 105 N -3.52 5.83 -0.17 5.45 2.15 -1.26 -4.35 116.67 120.80 1nr3 s ASP 105 Ca 0.29 0.26 -0.15 0.00 0.43 0.00 0.00 52.55 53.39 1nr3 s ASP 105 Cb 0.04 -1.86 0.05 0.00 -0.30 0.00 0.00 42.92 40.84 1nr3 s ASP 105 CO 0.17 0.33 0.46 0.12 -0.17 0.00 0.00 175.17 176.07 1nr3 s PHE 106 N -0.57 -0.54 0.01 -5.34 2.19 -0.71 -4.51 117.98 108.52 1nr3 s PHE 106 Ca 0.11 1.26 -0.00 0.00 0.33 0.00 0.00 56.93 58.63 1nr3 s PHE 106 Cb -0.12 0.20 -0.04 0.00 -1.31 0.00 0.00 43.02 41.75 1nr3 s PHE 106 CO 0.02 -0.27 0.10 -1.21 1.83 0.00 0.00 175.22 175.70 1nr3 s GLU 107 N 0.47 3.11 0.00 10.12 2.02 0.29 0.69 118.70 135.41 1nr3 s GLU 107 Ca -0.02 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.49 1nr3 s GLU 107 Cb -0.04 -2.88 -0.00 0.00 0.10 0.00 0.00 34.13 31.30 1nr3 s GLU 107 CO -0.02 0.63 -0.03 0.42 0.02 0.00 0.00 175.26 176.28 1nr3 s ILE 108 N -1.27 0.22 0.15 -1.63 1.09 -0.34 -1.85 121.20 117.56 1nr3 s ILE 108 Ca 0.25 -0.20 -0.13 0.00 -1.10 0.00 0.00 60.65 59.47 1nr3 s ILE 108 Cb -0.12 -0.20 0.01 0.00 -1.06 0.00 0.00 42.46 41.09 1nr3 s ILE 108 CO 0.17 0.01 0.36 -0.83 -0.10 0.00 0.00 174.94 174.55 1nr3 s GLY 109 N -0.21 0.05 0.12 6.18 0.00 0.85 -1.36 107.32 112.94 1nr3 s GLY 109 Ca -0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.18 1nr3 s GLY 109 CO -0.00 -0.53 0.27 0.54 0.00 0.00 0.00 173.10 173.38 1nr3 s VAL 110 N -3.88 0.11 -0.02 1.40 0.11 0.60 0.25 120.40 118.96 1nr3 s VAL 110 Ca 0.09 -1.08 0.05 0.00 -2.93 0.00 0.00 61.98 58.10 1nr3 s VAL 110 Cb 0.02 -1.43 -0.08 0.00 -1.53 0.00 0.00 36.38 33.37 1nr3 s VAL 110 CO -0.06 -0.48 0.08 0.35 -3.33 0.00 0.00 175.10 171.66 1nr3 n THR 111 N -0.14 0.11 0.01 5.04 -2.24 -1.24 -0.05 114.28 115.78 1nr3 n THR 111 Ca -0.13 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1nr3 n THR 111 Cb 0.63 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.85 0.00 0.00 -0.78 1.74 -1.26 -2.97 116.66 111.55 1nr3 n ARG 112 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1nr3 n ARG 112 Cb 0.31 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.75 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 -2.57 0.00 0.00 0.55 8.00 -1.26 -4.75 116.55 116.52 1nr3 n ASP 113 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1nr3 n ASP 113 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1nr3 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nr3 n GLY 114 N 0.00 -0.09 3.75 0.44 0.00 -1.26 -4.05 105.19 103.97 1nr3 n GLY 114 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1nr3 n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nr3 s GLU 115 N -0.81 4.84 0.30 1.61 2.02 -1.26 -4.51 118.70 120.88 1nr3 s GLU 115 Ca 0.00 1.48 0.04 0.00 0.02 0.00 0.00 54.97 56.51 1nr3 s GLU 115 Cb 0.00 -3.29 -0.06 0.00 0.10 0.00 0.00 34.13 30.88 1nr3 s GLU 115 CO 0.00 0.48 0.02 0.96 0.02 0.00 0.00 175.26 176.74 1nr3 s ILE 116 N -1.03 1.25 -0.00 -1.63 -5.25 -1.26 -3.60 121.20 109.68 1nr3 s ILE 116 Ca 0.42 -2.03 0.03 0.00 -0.99 0.00 0.00 60.65 58.08 1nr3 s ILE 116 Cb -0.26 -2.64 -0.01 0.00 2.95 0.00 0.00 42.46 42.50 1nr3 s ILE 116 CO 0.32 -0.12 -0.10 0.27 -1.79 0.00 0.00 174.94 173.51 1nr3 s ILE 117 N -3.27 0.80 0.11 8.37 -4.36 0.14 -4.94 121.20 118.06 1nr3 s ILE 117 Ca 0.34 -0.50 0.05 0.00 -0.26 0.00 0.00 60.65 60.28 1nr3 s ILE 117 Cb 0.07 -0.69 -0.04 0.00 1.25 0.00 0.00 42.46 43.06 1nr3 s ILE 117 CO 0.14 0.18 -0.14 0.68 0.24 0.00 0.00 174.94 176.04 1nr3 s VAL 118 N -0.34 1.24 -0.30 8.37 -7.23 -1.26 -0.11 120.40 120.78 1nr3 s VAL 118 Ca 0.03 -1.63 -0.16 0.00 -1.81 0.00 0.00 61.98 58.41 1nr3 s VAL 118 Cb -0.04 -1.43 0.17 0.00 0.56 0.00 0.00 36.38 35.64 1nr3 s VAL 118 CO -0.00 -0.40 1.06 -0.62 -0.31 0.00 0.00 175.10 174.83 1nr3 s ASP 119 N -2.32 -0.44 -0.28 4.85 2.15 -0.77 -4.93 116.67 114.93 1nr3 s ASP 119 Ca 0.06 0.62 -0.06 0.00 0.43 0.00 0.00 52.55 53.60 1nr3 s ASP 119 Cb -0.06 1.48 -0.19 0.00 -0.30 0.00 0.00 42.92 43.85 1nr3 s ASP 119 CO 0.02 -0.09 3.41 0.18 -0.17 0.00 0.00 175.17 178.52 1nr3 n LEU 120 N 4.72 5.87 -1.65 -1.34 4.32 -1.26 0.10 117.00 127.77 1nr3 n LEU 120 Ca -0.09 -3.48 0.00 0.00 -0.02 0.00 0.00 56.01 52.42 1nr3 n LEU 120 Cb 0.54 -1.41 0.00 0.00 -1.62 0.00 0.00 43.42 40.93 1nr3 n LEU 120 CO -0.04 1.76 -0.47 -3.20 -1.22 0.00 0.00 177.39 174.22 1nr3 n ASN 121 N 2.38 -8.86 0.00 -1.43 2.85 -1.26 -4.87 115.26 104.07 1nr3 n ASN 121 Ca 0.48 1.28 0.00 0.00 -0.11 0.00 0.00 54.58 56.23 1nr3 n ASN 121 Cb 0.78 -4.95 0.00 0.00 1.24 0.00 0.00 39.78 36.85 1nr3 n ASN 121 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91