#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lmn s VAL 2 N 0.00 4.73 0.48 3.15 1.01 -1.26 -1.02 120.40 127.49 1lmn s VAL 2 Ca 0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 1lmn s VAL 2 Cb 0.00 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1lmn s VAL 2 CO 0.00 -0.29 1.01 -0.31 0.00 0.00 0.00 175.10 175.51 1lmn s TYR 3 N 1.58 3.12 0.29 5.22 1.51 0.51 -4.98 117.35 124.59 1lmn s TYR 3 Ca 0.03 1.57 -0.24 0.00 -1.01 0.00 0.00 57.07 57.41 1lmn s TYR 3 Cb -0.20 -2.98 -0.09 0.00 -0.11 0.00 0.00 41.96 38.58 1lmn s TYR 3 CO 0.07 -0.62 0.88 0.34 -1.11 0.00 0.00 175.55 175.11 1lmn s ASP 4 N -2.22 7.28 0.17 2.29 2.15 -1.26 -4.79 116.67 120.29 1lmn s ASP 4 Ca 0.65 1.72 -0.16 0.00 0.43 0.00 0.00 52.55 55.19 1lmn s ASP 4 Cb -0.14 -2.53 0.12 0.00 -0.30 0.00 0.00 42.92 40.07 1lmn s ASP 4 CO 0.21 -0.02 1.67 -0.09 -0.17 0.00 0.00 175.17 176.77 1lmn h ARG 5 N 3.33 0.03 -0.00 4.34 2.43 -1.96 -0.23 114.38 122.31 1lmn h ARG 5 Ca -0.47 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.53 1lmn h ARG 5 Cb 1.19 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1lmn h ARG 5 CO 0.65 0.02 -0.77 0.00 -1.51 0.00 0.00 179.97 178.37 1lmn h GLU 7 N 0.04 1.04 -0.26 0.00 4.81 -1.83 -0.78 114.58 117.60 1lmn h GLU 7 Ca -0.02 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 58.97 1lmn h GLU 7 Cb 1.35 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1lmn h GLU 7 CO 0.11 0.86 -0.06 1.25 -0.73 0.00 0.00 179.01 180.44 1lmn h LEU 8 N 1.00 0.51 -0.56 1.64 5.85 -0.95 -1.47 115.31 121.34 1lmn h LEU 8 Ca 0.23 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.66 1lmn h LEU 8 Cb 0.21 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1lmn h LEU 8 CO -0.02 0.76 0.24 0.00 -0.34 0.00 0.00 178.44 179.08 1lmn h ALA 9 N 0.77 0.72 -0.61 1.25 0.00 -0.77 -0.45 119.26 120.16 1lmn h ALA 9 Ca 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1lmn h ALA 9 Cb 0.54 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1lmn h ALA 9 CO 0.03 -0.14 0.30 0.00 0.00 0.00 0.00 179.25 179.44 1lmn h ARG 10 N 0.45 0.87 -0.34 0.00 3.08 -1.09 -0.29 114.38 117.07 1lmn h ARG 10 Ca 0.27 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 1lmn h ARG 10 Cb 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1lmn h ARG 10 CO -0.23 0.69 -0.22 0.00 -1.07 0.00 0.00 179.97 179.14 1lmn h ALA 11 N 1.13 0.98 -0.15 0.04 0.00 -0.63 -1.31 119.26 119.33 1lmn h ALA 11 Ca 0.21 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1lmn h ALA 11 Cb 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1lmn h ALA 11 CO -0.03 0.60 -0.12 -0.07 0.00 0.00 0.00 179.25 179.63 1lmn h LEU 12 N 0.58 0.36 -0.78 0.00 3.38 -0.89 -2.42 115.31 115.53 1lmn h LEU 12 Ca 0.08 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1lmn h LEU 12 Cb 0.69 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1lmn h LEU 12 CO 0.05 0.74 0.47 0.50 0.09 0.00 0.00 178.44 180.29 1lmn h LYS 13 N -0.01 1.07 -0.01 1.13 1.63 -0.96 -1.43 116.57 117.99 1lmn h LYS 13 Ca 0.03 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1lmn h LYS 13 Cb 0.63 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1lmn h LYS 13 CO 0.03 0.76 -0.21 0.00 -3.45 0.00 0.00 179.45 176.58 1lmn h ALA 14 N 1.25 1.64 -0.26 5.00 0.00 -1.21 -2.95 119.26 122.74 1lmn h ALA 14 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1lmn h ALA 14 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1lmn h ALA 14 CO -0.05 0.27 0.00 0.43 0.00 0.00 0.00 179.25 179.90 1lmn n SER 15 N -4.29 1.79 -0.26 0.00 7.64 -0.88 -4.94 113.62 112.68 1lmn n SER 15 Ca -0.02 -1.84 -0.03 0.00 1.01 0.00 0.00 58.87 57.99 1lmn n SER 15 Cb 0.27 -0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 63.29 1lmn n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lmn n GLY 16 N 1.10 0.52 0.15 0.23 0.00 -1.10 -4.96 105.19 101.14 1lmn n GLY 16 Ca 0.14 -0.89 0.04 0.00 0.00 0.00 0.00 46.02 45.31 1lmn n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1lmn h MET 17 N 0.00 0.00 -5.94 1.61 2.86 -1.49 -3.38 114.93 108.59 1lmn h MET 17 Ca -0.06 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.07 1lmn h MET 17 Cb 0.42 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1lmn h MET 17 CO 0.09 0.45 1.40 0.34 1.06 0.00 0.00 176.91 180.26 1lmn s ASP 18 N -6.43 5.18 0.00 1.22 2.15 -1.26 -1.85 116.67 115.69 1lmn s ASP 18 Ca 0.03 0.62 0.00 0.00 0.43 0.00 0.00 52.55 53.64 1lmn s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1lmn s ASP 18 CO 0.73 -2.39 0.00 0.61 -0.17 0.00 0.00 175.17 173.94 1lmn n GLY 19 N 5.73 0.76 3.68 2.66 0.00 0.21 -4.85 105.19 113.37 1lmn n GLY 19 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1lmn n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lmn s TYR 20 N -2.18 1.84 -1.40 1.61 5.04 -0.77 0.07 117.35 121.56 1lmn s TYR 20 Ca 0.00 -0.12 -0.08 0.00 -2.44 0.00 0.00 57.07 54.43 1lmn s TYR 20 Cb 0.00 -4.15 0.05 0.00 0.35 0.00 0.00 41.96 38.21 1lmn s TYR 20 CO 0.00 -4.90 0.60 0.00 -1.34 0.00 0.00 175.55 169.91 1lmn n ALA 21 N 6.51 -1.06 -1.02 3.97 0.00 -1.26 -1.29 120.51 126.36 1lmn n ALA 21 Ca 0.18 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.79 1lmn n ALA 21 Cb 0.40 -3.39 -0.00 0.00 0.00 0.00 0.00 19.45 16.46 1lmn n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lmn n GLY 22 N -1.36 0.48 3.42 0.00 0.00 0.11 -5.02 105.19 102.82 1lmn n GLY 22 Ca -0.04 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1lmn n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lmn s ASN 23 N -2.35 5.91 0.76 1.61 -0.87 -0.41 -4.91 114.94 114.68 1lmn s ASN 23 Ca 0.00 -0.92 -0.11 0.00 -1.57 0.00 0.00 52.86 50.26 1lmn s ASN 23 Cb 0.00 -2.09 0.05 0.00 -0.02 0.00 0.00 41.25 39.19 1lmn s ASN 23 CO 0.00 -0.40 1.10 -0.94 -2.57 0.00 0.00 177.10 174.29 1lmn s SER 24 N 1.62 4.52 0.24 -1.22 1.04 -1.26 -0.62 113.70 118.02 1lmn s SER 24 Ca 0.04 1.89 -0.06 0.00 0.48 0.00 0.00 55.95 58.29 1lmn s SER 24 Cb -0.19 -2.53 0.44 0.00 0.10 0.00 0.00 66.02 63.84 1lmn s SER 24 CO 0.08 -2.03 1.67 0.25 0.98 0.00 0.00 173.24 174.19 1lmn h LEU 25 N -0.94 -0.13 -2.01 2.42 5.85 -1.89 -1.57 115.31 117.04 1lmn h LEU 25 Ca -0.44 0.16 0.15 0.00 0.84 0.00 0.00 57.88 58.59 1lmn h LEU 25 Cb 1.24 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 1lmn h LEU 25 CO 0.51 -0.09 0.39 -0.65 -0.34 0.00 0.00 178.44 178.26 1lmn h PRO 26 N 0.19 0.00 -0.28 5.25 0.11 -1.92 -1.10 132.00 134.25 1lmn h PRO 26 Ca 0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 1lmn h PRO 26 Cb 0.70 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1lmn h PRO 26 CO -0.56 0.00 0.14 -0.91 -0.21 0.00 0.00 178.00 176.46 1lmn h ASN 27 N 0.00 0.37 0.04 -2.05 2.35 -1.64 0.52 115.58 115.16 1lmn h ASN 27 Ca 0.25 -0.12 -0.15 0.00 -0.55 0.00 0.00 56.30 55.73 1lmn h ASN 27 Cb 1.02 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 1lmn h ASN 27 CO -0.00 0.38 -0.50 -0.50 -1.65 0.00 0.00 177.43 175.16 1lmn h TRP 28 N 0.33 0.64 -0.15 1.19 4.06 -1.31 -2.23 115.95 118.48 1lmn h TRP 28 Ca 0.10 -0.21 -0.15 0.00 2.06 0.00 0.00 58.89 60.68 1lmn h TRP 28 Cb 0.11 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 1lmn h TRP 28 CO -0.02 0.92 -0.50 0.28 -3.56 0.00 0.00 178.44 175.55 1lmn h VAL 29 N 0.41 1.34 -0.26 1.49 2.07 -1.19 -2.52 116.25 117.59 1lmn h VAL 29 Ca 0.02 -1.76 0.02 0.00 0.82 0.00 0.00 66.70 65.79 1lmn h VAL 29 Cb 1.02 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1lmn h VAL 29 CO 0.09 0.54 0.12 0.00 0.02 0.00 0.00 177.57 178.34 1lmn h LEU 31 N 0.25 0.58 -0.52 0.00 5.85 -1.45 -2.63 115.31 117.38 1lmn h LEU 31 Ca 0.11 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1lmn h LEU 31 Cb 0.05 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1lmn h LEU 31 CO -0.09 0.42 0.23 0.28 -0.34 0.00 0.00 178.44 178.93 1lmn h SER 32 N 0.68 0.71 -0.08 1.25 0.02 -1.26 0.07 113.55 114.95 1lmn h SER 32 Ca 0.19 -0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1lmn h SER 32 Cb -0.08 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1lmn h SER 32 CO -0.04 0.66 -0.09 0.50 -1.14 0.00 0.00 176.83 176.72 1lmn h LYS 33 N 0.70 -0.12 0.01 3.45 3.11 -1.08 -1.09 116.57 121.55 1lmn h LYS 33 Ca 0.18 0.01 -0.20 0.00 -2.81 0.00 0.00 60.65 57.82 1lmn h LYS 33 Cb 0.16 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.40 1lmn h LYS 33 CO -0.02 -0.08 -0.95 -1.49 -2.81 0.00 0.00 179.45 174.10 1lmn h TRP 34 N -0.12 0.05 0.18 1.91 4.06 -1.44 -1.87 115.95 118.72 1lmn h TRP 34 Ca 0.06 -0.04 -0.30 0.00 2.06 0.00 0.00 58.89 60.67 1lmn h TRP 34 Cb 0.21 -0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.40 1lmn h TRP 34 CO -0.19 0.96 -1.30 0.93 -3.56 0.00 0.00 178.44 175.28 1lmn h GLU 35 N 0.01 0.56 0.00 0.49 4.39 -0.94 -3.43 114.58 115.66 1lmn h GLU 35 Ca -0.02 -0.84 0.00 0.00 0.34 0.00 0.00 59.36 58.84 1lmn h GLU 35 Cb 1.67 0.30 0.00 0.00 -0.10 0.00 0.00 28.75 30.61 1lmn h GLU 35 CO 0.13 1.39 0.00 -1.13 -1.16 0.00 0.00 179.01 178.24 1lmn n SER 36 N -3.81 0.16 -3.35 1.42 3.41 -0.43 -4.84 113.62 106.18 1lmn n SER 36 Ca -0.15 -0.90 -0.24 0.00 -0.26 0.00 0.00 58.87 57.32 1lmn n SER 36 Cb 1.02 0.02 0.05 0.00 -0.26 0.00 0.00 64.21 65.04 1lmn n SER 36 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1lmn n SER 37 N -0.02 -6.06 -1.31 4.04 7.64 -0.70 -2.56 113.62 114.65 1lmn n SER 37 Ca 0.00 -0.44 -0.15 0.00 1.01 0.00 0.00 58.87 59.29 1lmn n SER 37 Cb 0.18 -4.84 -0.05 0.00 -1.01 0.00 0.00 64.21 58.50 1lmn n SER 37 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1lmn n TYR 38 N -4.72 -0.20 -3.42 1.43 4.01 -1.21 -4.78 117.16 108.26 1lmn n TYR 38 Ca -0.05 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.26 1lmn n TYR 38 Cb 0.58 -2.79 -0.09 0.00 -0.31 0.00 0.00 39.34 36.74 1lmn n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1lmn s ASN 39 N -2.70 6.12 0.66 7.72 2.47 -1.06 -0.36 114.94 127.80 1lmn s ASN 39 Ca 0.00 -1.14 0.43 0.00 0.42 0.00 0.00 52.86 52.57 1lmn s ASN 39 Cb 0.00 -2.17 2.33 0.00 -1.45 0.00 0.00 41.25 39.96 1lmn s ASN 39 CO 0.00 -0.56 2.34 0.71 -3.72 0.00 0.00 177.10 175.87 1lmn h THR 40 N 5.70 0.05 -0.14 -5.21 1.35 -1.40 -2.17 112.91 111.09 1lmn h THR 40 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1lmn h THR 40 Cb 1.11 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1lmn h THR 40 CO 0.81 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.08 1lmn n GLN 41 N -3.14 1.96 -1.91 4.72 6.02 -1.26 -4.00 117.38 119.77 1lmn n GLN 41 Ca -0.03 -1.42 -0.41 0.00 -0.01 0.00 0.00 57.00 55.12 1lmn n GLN 41 Cb 0.09 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 1lmn n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lmn s ALA 42 N -1.83 3.66 0.02 -1.58 0.00 -0.82 -4.82 121.76 116.39 1lmn s ALA 42 Ca 0.34 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.77 1lmn s ALA 42 Cb 0.20 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1lmn s ALA 42 CO 0.30 -0.86 -0.09 0.95 0.00 0.00 0.00 175.76 176.06 1lmn s THR 43 N -0.17 0.71 -0.21 0.00 -4.23 -1.26 -0.98 115.64 109.50 1lmn s THR 43 Ca 0.60 -0.65 -0.04 0.00 -1.18 0.00 0.00 61.69 60.41 1lmn s THR 43 Cb -0.44 -0.65 0.10 0.00 1.34 0.00 0.00 72.50 72.84 1lmn s THR 43 CO 0.47 0.01 0.24 0.21 -0.54 0.00 0.00 174.62 175.01 1lmn s ASN 44 N -0.72 1.22 0.17 3.99 2.47 -0.83 -4.97 114.94 116.26 1lmn s ASN 44 Ca -0.00 -0.16 -0.23 0.00 0.42 0.00 0.00 52.86 52.89 1lmn s ASN 44 Cb -0.06 0.48 -0.08 0.00 -1.45 0.00 0.00 41.25 40.14 1lmn s ASN 44 CO 0.00 -0.32 0.73 -0.60 -3.72 0.00 0.00 177.10 173.19 1lmn s ARG 45 N 2.35 4.43 0.27 0.43 6.06 -1.26 -0.69 118.95 130.54 1lmn s ARG 45 Ca 0.08 1.01 0.07 0.00 -2.50 0.00 0.00 55.73 54.39 1lmn s ARG 45 Cb -0.16 -3.16 -0.03 0.00 0.06 0.00 0.00 34.95 31.66 1lmn s ARG 45 CO -0.13 0.54 0.22 -0.80 -2.50 0.00 0.00 175.30 172.63 1lmn s ASN 46 N -1.27 5.46 0.54 -2.12 -0.87 0.30 -4.97 114.94 112.00 1lmn s ASN 46 Ca 0.36 -0.31 0.25 0.00 -1.57 0.00 0.00 52.86 51.59 1lmn s ASN 46 Cb -0.21 -1.30 1.43 0.00 -0.02 0.00 0.00 41.25 41.15 1lmn s ASN 46 CO 0.24 -0.11 2.03 0.71 -2.57 0.00 0.00 177.10 177.39 1lmn h THR 47 N 1.43 0.71 -0.11 1.60 1.35 -1.97 -0.95 112.91 114.98 1lmn h THR 47 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1lmn h THR 47 Cb 1.24 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1lmn h THR 47 CO 0.60 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.97 1lmn n ASP 48 N -4.27 1.27 0.00 5.36 5.75 -1.26 -4.90 116.55 118.49 1lmn n ASP 48 Ca 0.06 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 1lmn n ASP 48 Cb 0.48 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1lmn n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lmn n GLY 49 N 1.07 0.74 3.91 6.12 0.00 -0.36 -4.80 105.19 111.88 1lmn n GLY 49 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1lmn n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lmn s SER 50 N -2.51 5.88 0.05 1.61 1.04 -1.25 -4.45 113.70 114.07 1lmn s SER 50 Ca 0.00 0.78 0.04 0.00 0.48 0.00 0.00 55.95 57.25 1lmn s SER 50 Cb 0.00 -1.92 -0.02 0.00 0.10 0.00 0.00 66.02 64.18 1lmn s SER 50 CO 0.00 -0.85 -0.12 -0.89 0.98 0.00 0.00 173.24 172.36 1lmn s THR 51 N -2.87 0.94 -0.19 2.02 2.01 -1.26 0.11 115.64 116.40 1lmn s THR 51 Ca 0.51 -1.09 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 1lmn s THR 51 Cb -0.10 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1lmn s THR 51 CO 0.45 -0.17 0.13 -1.81 -0.69 0.00 0.00 174.62 172.53 1lmn s ASP 52 N -1.42 6.24 -0.07 3.53 1.01 0.13 -0.74 116.67 125.35 1lmn s ASP 52 Ca -0.03 0.27 0.04 0.00 0.71 0.00 0.00 52.55 53.55 1lmn s ASP 52 Cb -0.09 -2.09 -0.00 0.00 1.01 0.00 0.00 42.92 41.75 1lmn s ASP 52 CO 0.01 0.22 -0.20 -0.31 0.21 0.00 0.00 175.17 175.10 1lmn s TYR 53 N 0.14 2.13 0.00 4.23 2.02 -0.10 -1.97 117.35 123.80 1lmn s TYR 53 Ca 0.09 -0.76 0.00 0.00 -0.37 0.00 0.00 57.07 56.03 1lmn s TYR 53 Cb -0.11 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 1lmn s TYR 53 CO -0.01 -0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.08 1lmn n GLY 54 N 3.38 -1.89 0.32 0.71 0.00 -0.16 -1.56 105.19 106.01 1lmn n GLY 54 Ca -0.19 -1.38 0.06 0.00 0.00 0.00 0.00 46.02 44.51 1lmn n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lmn h ILE 55 N 0.00 1.05 -0.30 -0.61 2.10 -1.70 -2.02 117.51 116.03 1lmn h ILE 55 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 1lmn h ILE 55 Cb 0.00 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 36.18 1lmn h ILE 55 CO 0.00 0.10 0.00 0.49 -1.08 0.00 0.00 178.15 177.66 1lmn n PHE 56 N -4.47 0.38 -3.90 2.19 3.72 -1.26 -4.07 117.46 110.04 1lmn n PHE 56 Ca 0.06 -0.21 -0.40 0.00 -0.05 0.00 0.00 57.45 56.85 1lmn n PHE 56 Cb 0.15 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.72 1lmn n PHE 56 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1lmn n GLN 57 N 1.31 -0.68 -2.64 -1.08 1.13 -0.76 -4.91 117.38 109.75 1lmn n GLN 57 Ca 0.17 0.27 -0.42 0.00 -1.94 0.00 0.00 57.00 55.08 1lmn n GLN 57 Cb 0.56 -3.11 -0.03 0.00 0.11 0.00 0.00 30.24 27.76 1lmn n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lmn s ILE 58 N -3.46 4.54 0.08 5.09 1.01 -0.60 -4.39 121.20 123.47 1lmn s ILE 58 Ca 0.45 1.90 -0.24 0.00 0.00 0.00 0.00 60.65 62.76 1lmn s ILE 58 Cb -0.22 -4.22 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 1lmn s ILE 58 CO 0.93 0.19 0.73 0.21 0.00 0.00 0.00 174.94 177.00 1lmn s ASN 59 N 0.73 7.23 0.00 3.58 3.84 -1.26 -0.93 114.94 128.13 1lmn s ASN 59 Ca 0.52 1.47 0.21 0.00 0.21 0.00 0.00 52.86 55.27 1lmn s ASN 59 Cb -0.24 -2.46 0.98 0.00 -0.55 0.00 0.00 41.25 38.98 1lmn s ASN 59 CO 0.29 0.12 1.66 -1.54 -2.79 0.00 0.00 177.10 174.84 1lmn n SER 60 N 2.27 0.00 0.08 -4.21 3.41 0.09 -2.31 113.62 112.95 1lmn n SER 60 Ca -0.05 0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1lmn n SER 60 Cb 0.50 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1lmn n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1lmn h ARG 61 N 0.00 0.22 0.00 4.33 2.43 -1.84 -3.40 114.38 116.12 1lmn h ARG 61 Ca 0.00 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.89 1lmn h ARG 61 Cb 0.27 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1lmn h ARG 61 CO 0.00 0.96 -1.16 0.66 -1.51 0.00 0.00 179.97 178.91 1lmn n TYR 62 N -3.68 0.00 -0.06 2.20 4.01 -1.20 -1.26 117.16 117.17 1lmn n TYR 62 Ca -0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.65 1lmn n TYR 62 Cb 0.80 -0.11 -0.12 0.00 -0.31 0.00 0.00 39.34 39.59 1lmn n TYR 62 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1lmn n TRP 63 N -2.01 0.00 -4.16 -0.72 7.02 -0.98 -0.95 117.44 115.65 1lmn n TRP 63 Ca -0.04 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.34 1lmn n TRP 63 Cb 0.50 -0.70 -0.10 0.00 -2.42 0.00 0.00 31.31 28.58 1lmn n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lmn s ASP 65 N -3.04 5.86 0.00 0.00 2.15 0.02 -4.42 116.67 117.24 1lmn s ASP 65 Ca 0.16 -0.17 0.10 0.00 0.43 0.00 0.00 52.55 53.06 1lmn s ASP 65 Cb 0.07 -2.08 0.11 0.00 -0.30 0.00 0.00 42.92 40.71 1lmn s ASP 65 CO -0.03 -0.10 0.88 -0.90 -0.17 0.00 0.00 175.17 174.85 1lmn n ASP 66 N 5.04 1.98 0.00 -0.34 5.75 -1.26 -1.58 116.55 126.15 1lmn n ASP 66 Ca -0.14 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1lmn n ASP 66 Cb 0.51 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1lmn n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lmn n GLY 67 N 0.51 0.21 0.20 6.12 0.00 -1.26 -4.77 105.19 106.20 1lmn n GLY 67 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1lmn n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1lmn n ARG 68 N -0.70 0.23 -4.02 1.61 1.85 -1.26 -5.05 116.66 109.32 1lmn n ARG 68 Ca 0.00 -0.85 -0.35 0.00 -1.00 0.00 0.00 57.85 55.65 1lmn n ARG 68 Cb 0.29 -0.57 -0.12 0.00 -1.05 0.00 0.00 32.46 31.00 1lmn n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1lmn s THR 69 N -0.19 4.05 0.14 8.89 2.01 -1.26 -4.89 115.64 124.39 1lmn s THR 69 Ca 0.01 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.43 1lmn s THR 69 Cb 0.01 -2.84 -0.07 0.00 0.01 0.00 0.00 72.50 69.62 1lmn s THR 69 CO 0.00 0.42 1.15 -2.16 -0.69 0.00 0.00 174.62 173.34 1lmn s PRO 70 N 1.05 4.51 -1.05 4.92 0.04 -1.26 -3.73 135.00 139.48 1lmn s PRO 70 Ca 0.02 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 1lmn s PRO 70 Cb -0.14 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 1lmn s PRO 70 CO 0.02 -0.08 0.88 0.41 0.04 0.00 0.00 177.00 178.27 1lmn n GLY 71 N 2.48 -0.36 3.87 0.56 0.00 -1.26 -4.97 105.19 105.52 1lmn n GLY 71 Ca 0.05 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1lmn n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lmn s ALA 72 N -3.32 3.78 -0.24 4.61 0.00 -1.24 -4.87 121.76 120.47 1lmn s ALA 72 Ca 0.05 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.63 1lmn s ALA 72 Cb -0.01 -2.18 -0.12 0.00 0.00 0.00 0.00 23.12 20.82 1lmn s ALA 72 CO 0.65 0.60 0.30 1.63 0.00 0.00 0.00 175.76 178.94 1lmn n LYS 73 N 1.00 2.46 -3.88 0.00 5.02 -0.38 -5.02 118.16 117.34 1lmn n LYS 73 Ca -0.09 -0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 55.79 1lmn n LYS 73 Cb 0.52 -1.04 0.02 0.00 -0.02 0.00 0.00 35.03 34.51 1lmn n LYS 73 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1lmn n ASN 74 N -1.47 -4.73 0.10 4.39 5.15 -1.06 -4.89 115.26 112.75 1lmn n ASN 74 Ca 0.00 -1.12 -0.05 0.00 -0.60 0.00 0.00 54.58 52.81 1lmn n ASN 74 Cb 0.18 -2.26 0.09 0.00 -0.53 0.00 0.00 39.78 37.26 1lmn n ASN 74 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1lmn h VAL 75 N -1.92 1.45 0.00 3.44 2.07 -0.95 -2.83 116.25 117.50 1lmn h VAL 75 Ca -0.66 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 64.60 1lmn h VAL 75 Cb 1.38 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1lmn h VAL 75 CO 0.47 0.66 0.00 0.00 0.02 0.00 0.00 177.57 178.72 1lmn n GLY 77 N 0.91 0.12 3.36 0.00 0.00 -1.07 -4.99 105.19 103.51 1lmn n GLY 77 Ca 0.05 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 1lmn n GLY 77 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lmn s ILE 78 N -3.08 0.63 0.17 -0.61 -4.36 -1.26 -5.06 121.20 107.63 1lmn s ILE 78 Ca 0.27 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.40 1lmn s ILE 78 Cb -0.12 -2.62 -0.08 0.00 1.25 0.00 0.00 42.46 40.89 1lmn s ILE 78 CO 0.33 0.00 0.78 -0.13 0.24 0.00 0.00 174.94 176.16 1lmn s ARG 79 N -3.94 4.56 0.57 0.37 1.81 -1.26 -0.80 118.95 120.26 1lmn s ARG 79 Ca 0.36 1.15 0.33 0.00 -1.72 0.00 0.00 55.73 55.85 1lmn s ARG 79 Cb 0.07 -3.24 1.74 0.00 -0.45 0.00 0.00 34.95 33.07 1lmn s ARG 79 CO 0.15 0.56 2.17 0.00 -0.68 0.00 0.00 175.30 177.50 1lmn h SER 81 N 0.00 0.00 0.67 0.00 4.64 -1.94 -1.74 113.55 115.19 1lmn h SER 81 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lmn h SER 81 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1lmn h SER 81 CO 0.01 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 1lmn n GLN 82 N -3.56 0.07 0.00 4.77 6.02 -0.95 -2.07 117.38 121.67 1lmn n GLN 82 Ca -0.02 0.28 0.14 0.00 -0.01 0.00 0.00 57.00 57.39 1lmn n GLN 82 Cb 0.18 -1.63 0.54 0.00 1.02 0.00 0.00 30.24 30.35 1lmn n GLN 82 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1lmn n LEU 83 N -1.77 0.98 -0.65 1.08 4.77 -0.65 -4.04 117.00 116.72 1lmn n LEU 83 Ca 0.04 -0.27 0.06 0.00 -0.03 0.00 0.00 56.01 55.81 1lmn n LEU 83 Cb 0.22 -0.08 0.13 0.00 -2.33 0.00 0.00 43.42 41.36 1lmn n LEU 83 CO 0.18 0.17 0.57 0.18 -1.33 0.00 0.00 177.39 177.16 1lmn n LEU 84 N -0.44 2.67 -4.83 2.23 4.77 -0.88 -3.95 117.00 116.57 1lmn n LEU 84 Ca 0.16 -1.60 -0.31 0.00 -0.03 0.00 0.00 56.01 54.23 1lmn n LEU 84 Cb 0.31 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1lmn n LEU 84 CO 0.21 0.62 0.71 0.42 -1.33 0.00 0.00 177.39 178.02 1lmn s THR 85 N -1.03 4.00 0.26 -5.08 -4.23 -1.26 -4.17 115.64 104.13 1lmn s THR 85 Ca 0.22 0.65 0.02 0.00 -1.18 0.00 0.00 61.69 61.40 1lmn s THR 85 Cb 0.13 -3.46 0.03 0.00 1.34 0.00 0.00 72.50 70.54 1lmn s THR 85 CO 0.17 -0.85 1.66 0.44 -0.54 0.00 0.00 174.62 175.50 1lmn h ASP 86 N -0.69 0.47 -2.98 3.99 3.32 -1.94 -3.40 116.42 115.18 1lmn h ASP 86 Ca -0.44 -0.19 -0.56 0.00 0.02 0.00 0.00 57.03 55.86 1lmn h ASP 86 Cb 1.22 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1lmn h ASP 86 CO 0.59 0.79 0.81 -0.62 -1.72 0.00 0.00 179.24 179.09 1lmn s ASP 87 N -6.85 6.98 0.00 6.45 2.15 -1.26 -4.90 116.67 119.24 1lmn s ASP 87 Ca -0.06 1.78 0.28 0.00 0.43 0.00 0.00 52.55 54.97 1lmn s ASP 87 Cb 0.13 -2.55 1.12 0.00 -0.30 0.00 0.00 42.92 41.32 1lmn s ASP 87 CO 0.80 -0.68 1.80 0.18 -0.17 0.00 0.00 175.17 177.10 1lmn n LEU 88 N 5.94 0.44 -0.22 -1.34 4.32 -1.26 -4.54 117.00 120.33 1lmn n LEU 88 Ca 0.13 0.06 0.02 0.00 -0.02 0.00 0.00 56.01 56.20 1lmn n LEU 88 Cb 0.45 -0.23 0.11 0.00 -1.62 0.00 0.00 43.42 42.13 1lmn n LEU 88 CO 0.56 0.09 0.81 0.74 -1.22 0.00 0.00 177.39 178.36 1lmn h THR 89 N 0.45 0.41 -0.12 -5.08 2.02 -1.95 0.27 112.91 108.91 1lmn h THR 89 Ca 0.00 -0.03 -0.23 0.00 0.77 0.00 0.00 66.41 66.92 1lmn h THR 89 Cb 0.40 0.32 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1lmn h THR 89 CO 0.00 0.02 -0.83 0.58 0.37 0.00 0.00 175.52 175.66 1lmn h VAL 90 N 0.08 1.28 -0.84 3.16 2.07 -1.84 -1.93 116.25 118.23 1lmn h VAL 90 Ca 0.35 -2.03 0.03 0.00 0.82 0.00 0.00 66.70 65.87 1lmn h VAL 90 Cb 0.58 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 1lmn h VAL 90 CO -0.61 0.64 0.54 0.00 0.02 0.00 0.00 177.57 178.17 1lmn h ALA 91 N 0.55 1.11 -0.30 1.67 0.00 -1.62 -1.41 119.26 119.26 1lmn h ALA 91 Ca -0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1lmn h ALA 91 Cb 1.46 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1lmn h ALA 91 CO 0.17 0.39 -0.16 0.82 0.00 0.00 0.00 179.25 180.46 1lmn h ILE 92 N 1.07 1.29 -0.88 0.00 2.04 -0.93 -0.28 117.51 119.81 1lmn h ILE 92 Ca 0.33 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1lmn h ILE 92 Cb -0.01 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1lmn h ILE 92 CO -0.11 0.41 0.52 -0.09 0.00 0.00 0.00 178.15 178.88 1lmn h ARG 93 N 0.39 1.21 -0.11 2.37 2.43 -1.07 -1.05 114.38 118.54 1lmn h ARG 93 Ca 0.06 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1lmn h ARG 93 Cb 0.69 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1lmn h ARG 93 CO 0.05 0.85 -0.37 0.00 -1.51 0.00 0.00 179.97 179.00 1lmn h ALA 95 N 0.50 1.36 -0.94 0.00 0.00 -0.90 0.69 119.26 119.97 1lmn h ALA 95 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1lmn h ALA 95 Cb 0.99 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1lmn h ALA 95 CO 0.08 0.21 0.61 0.87 0.00 0.00 0.00 179.25 181.01 1lmn h LYS 96 N 0.94 1.25 -0.33 0.00 1.57 -1.15 -1.95 116.57 116.90 1lmn h LYS 96 Ca 0.45 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.98 1lmn h LYS 96 Cb 0.39 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1lmn h LYS 96 CO -0.24 0.84 -0.44 -0.09 -0.57 0.00 0.00 179.45 178.95 1lmn h ARG 97 N 1.28 0.85 -0.48 3.15 9.65 -0.82 -3.22 114.38 124.79 1lmn h ARG 97 Ca 0.34 -0.47 -0.01 0.00 -1.10 0.00 0.00 59.98 58.74 1lmn h ARG 97 Cb -0.12 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 1lmn h ARG 97 CO -0.07 1.11 0.27 0.28 2.80 0.00 0.00 179.97 184.36 1lmn h VAL 98 N 0.68 1.17 0.00 0.20 2.07 -0.46 -2.78 116.25 117.12 1lmn h VAL 98 Ca 0.04 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1lmn h VAL 98 Cb 1.02 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1lmn h VAL 98 CO 0.10 0.17 0.00 1.33 0.02 0.00 0.00 177.57 179.20 1lmn n VAL 99 N -4.68 0.29 0.59 2.57 0.24 -0.77 -2.48 118.33 114.08 1lmn n VAL 99 Ca 0.02 0.07 0.13 0.00 -2.04 0.00 0.00 64.34 62.52 1lmn n VAL 99 Cb 0.08 -0.73 0.36 0.00 -1.47 0.00 0.00 33.84 32.08 1lmn n VAL 99 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1lmn h LEU 100 N 0.00 0.00-10.33 1.34 3.38 -1.52 -3.36 115.31 104.82 1lmn h LEU 100 Ca 0.00 -0.03 -0.50 0.00 0.09 0.00 0.00 57.88 57.44 1lmn h LEU 100 Cb 0.16 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.04 1lmn h LEU 100 CO 0.00 0.01 0.31 -1.81 0.09 0.00 0.00 178.44 177.04 1lmn s ASP 101 N -4.62 4.36 0.47 -0.43 1.11 -1.04 -4.89 116.67 111.63 1lmn s ASP 101 Ca 0.10 1.66 0.23 0.00 0.18 0.00 0.00 52.55 54.71 1lmn s ASP 101 Cb 0.12 -2.38 1.25 0.00 1.07 0.00 0.00 42.92 42.98 1lmn s ASP 101 CO 0.62 -2.10 1.88 -0.65 1.18 0.00 0.00 175.17 176.10 1lmn h PRO 102 N -1.18 0.22 0.00 8.23 0.11 -1.89 0.81 132.00 138.30 1lmn h PRO 102 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1lmn h PRO 102 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1lmn h PRO 102 CO 0.54 0.15 0.00 0.09 -0.21 0.00 0.00 178.00 178.56 1lmn n ASN 103 N -4.42 0.00 0.00 -2.05 3.02 -1.26 -4.97 115.26 105.58 1lmn n ASN 103 Ca 0.18 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 1lmn n ASN 103 Cb 0.77 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 1lmn n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lmn n GLY 104 N 1.31 1.01 0.00 7.41 0.00 0.27 -1.54 105.19 113.65 1lmn n GLY 104 Ca 0.10 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.58 1lmn n GLY 104 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1lmn n ILE 105 N 0.00 0.84 0.47 -0.61 3.06 -1.26 -2.00 119.36 119.86 1lmn n ILE 105 Ca 0.00 0.21 0.07 0.00 -2.50 0.00 0.00 62.75 60.53 1lmn n ILE 105 Cb 0.00 -1.01 0.32 0.00 0.54 0.00 0.00 39.64 39.49 1lmn n ILE 105 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1lmn n GLY 106 N -0.28 -1.02 0.24 4.50 0.00 -0.59 -2.42 105.19 105.63 1lmn n GLY 106 Ca 0.05 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1lmn n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lmn h ALA 107 N 2.46 1.83 -2.37 4.61 0.00 -1.47 -3.41 119.26 120.92 1lmn h ALA 107 Ca 0.00 -0.09 -0.61 0.00 0.00 0.00 0.00 54.91 54.21 1lmn h ALA 107 Cb 0.26 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.91 1lmn h ALA 107 CO 0.00 0.13 0.23 -1.58 0.00 0.00 0.00 179.25 178.02 1lmn s TRP 108 N -4.84 3.22 0.23 0.00 0.51 -1.02 -4.97 118.94 112.08 1lmn s TRP 108 Ca -0.04 0.69 -0.07 0.00 -2.12 0.00 0.00 56.10 54.55 1lmn s TRP 108 Cb 0.16 -3.04 0.20 0.00 -0.81 0.00 0.00 33.47 29.98 1lmn s TRP 108 CO 0.69 -0.48 1.85 0.28 -0.51 0.00 0.00 176.95 178.77 1lmn h VAL 109 N 5.54 1.25 -0.27 4.03 2.07 -1.89 -2.18 116.25 124.82 1lmn h VAL 109 Ca -0.26 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1lmn h VAL 109 Cb 1.11 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1lmn h VAL 109 CO 0.82 0.29 0.06 0.00 0.02 0.00 0.00 177.57 178.76 1lmn h ALA 110 N 1.26 1.61 -0.04 1.67 0.00 -1.93 -1.36 119.26 120.47 1lmn h ALA 110 Ca 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1lmn h ALA 110 Cb 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1lmn h ALA 110 CO -0.05 0.30 -0.02 2.35 0.00 0.00 0.00 179.25 181.83 1lmn h TRP 111 N 0.38 0.10 -0.93 0.00 7.01 -1.72 -0.27 115.95 120.52 1lmn h TRP 111 Ca 0.09 -0.03 0.15 0.00 2.11 0.00 0.00 58.89 61.22 1lmn h TRP 111 Cb 0.16 -0.02 -0.10 0.00 -2.10 0.00 0.00 29.16 27.10 1lmn h TRP 111 CO 0.00 0.48 0.53 0.00 -2.79 0.00 0.00 178.44 176.66 1lmn h ARG 112 N -0.30 0.73 0.06 2.65 3.08 -1.07 0.22 114.38 119.75 1lmn h ARG 112 Ca 0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1lmn h ARG 112 Cb 0.45 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1lmn h ARG 112 CO 0.01 0.48 -0.03 1.25 -1.07 0.00 0.00 179.97 180.61 1lmn h LEU 113 N 0.75 -0.07 -0.02 3.04 5.85 -1.22 -3.37 115.31 120.27 1lmn h LEU 113 Ca 0.50 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1lmn h LEU 113 Cb 0.69 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1lmn h LEU 113 CO -0.34 0.47 -0.87 1.41 -0.34 0.00 0.00 178.44 178.76 1lmn n HIS 114 N -4.82 0.00 -0.01 1.25 8.25 -0.12 -4.75 115.22 115.01 1lmn n HIS 114 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1lmn n HIS 114 Cb 0.09 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 1lmn n HIS 114 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lmn n GLN 116 N -2.29 2.66 -1.02 0.00 7.27 0.68 -2.27 117.38 122.41 1lmn n GLN 116 Ca -0.05 0.96 -0.01 0.00 0.07 0.00 0.00 57.00 57.97 1lmn n GLN 116 Cb 0.58 -2.81 -0.00 0.00 2.41 0.00 0.00 30.24 30.41 1lmn n GLN 116 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1lmn n ASN 117 N 4.44 -4.60 -4.97 1.69 3.02 -1.26 -4.95 115.26 108.63 1lmn n ASN 117 Ca 0.17 0.02 -0.18 0.00 -0.03 0.00 0.00 54.58 54.56 1lmn n ASN 117 Cb 0.34 -2.17 -0.00 0.00 -0.61 0.00 0.00 39.78 37.34 1lmn n ASN 117 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1lmn s GLN 118 N -1.20 2.74 -0.32 3.52 0.74 -0.96 -5.06 119.66 119.11 1lmn s GLN 118 Ca 0.00 -1.33 -0.23 0.00 0.05 0.00 0.00 55.36 53.85 1lmn s GLN 118 Cb 0.00 -2.64 0.00 0.00 1.10 0.00 0.00 33.01 31.48 1lmn s GLN 118 CO 0.00 -0.24 0.77 0.34 -0.55 0.00 0.00 175.29 175.61 1lmn s ASP 119 N -4.27 6.62 -0.07 6.67 -1.08 -1.26 -4.91 116.67 118.36 1lmn s ASP 119 Ca 0.53 0.56 0.17 0.00 -0.52 0.00 0.00 52.55 53.29 1lmn s ASP 119 Cb -0.08 -2.40 0.57 0.00 -1.46 0.00 0.00 42.92 39.56 1lmn s ASP 119 CO 0.31 -0.63 1.49 0.18 0.52 0.00 0.00 175.17 177.04 1lmn n LEU 120 N 6.22 4.01 -0.23 -1.34 4.77 -1.26 -4.55 117.00 124.62 1lmn n LEU 120 Ca 0.03 -2.33 -0.00 0.00 -0.03 0.00 0.00 56.01 53.67 1lmn n LEU 120 Cb 0.48 -0.46 0.21 0.00 -2.33 0.00 0.00 43.42 41.32 1lmn n LEU 120 CO 0.51 0.80 1.21 -0.09 -1.33 0.00 0.00 177.39 178.49 1lmn h ARG 121 N 3.24 1.03 -0.29 3.23 9.65 -1.96 -1.27 114.38 128.01 1lmn h ARG 121 Ca 0.00 -0.08 0.08 0.00 -1.10 0.00 0.00 59.98 58.88 1lmn h ARG 121 Cb 1.18 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.53 1lmn h ARG 121 CO 0.13 0.71 0.25 0.66 2.80 0.00 0.00 179.97 184.52 1lmn h SER 122 N 1.05 0.00 0.51 -3.80 4.64 -1.97 -2.02 113.55 111.96 1lmn h SER 122 Ca 0.28 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 1lmn h SER 122 Cb -0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1lmn h SER 122 CO -0.05 0.00 -0.25 1.88 -0.87 0.00 0.00 176.83 177.54 1lmn h TYR 123 N 0.00 0.00 -0.02 4.77 0.05 -1.57 -3.02 116.97 117.18 1lmn h TYR 123 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1lmn h TYR 123 Cb 0.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.38 1lmn h TYR 123 CO 0.00 0.25 0.00 1.33 -1.05 0.00 0.00 178.16 178.69 1lmn n VAL 124 N -3.74 0.02 -1.95 -2.88 0.24 -0.83 -4.85 118.33 104.34 1lmn n VAL 124 Ca -0.01 -0.51 -0.42 0.00 -2.04 0.00 0.00 64.34 61.36 1lmn n VAL 124 Cb 0.35 1.21 -0.03 0.00 -1.47 0.00 0.00 33.84 33.91 1lmn n VAL 124 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lmn s ALA 125 N -0.91 3.76 0.00 2.33 0.00 -0.82 -2.14 121.76 123.98 1lmn s ALA 125 Ca 0.13 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1lmn s ALA 125 Cb 0.09 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1lmn s ALA 125 CO 0.14 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1lmn n GLY 126 N 3.60 0.54 0.08 0.00 0.00 -1.26 -4.94 105.19 103.21 1lmn n GLY 126 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1lmn n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lmn n GLY 128 N 1.33 -0.53 0.00 0.00 0.00 -1.26 -4.95 105.19 99.78 1lmn n GLY 128 Ca 0.04 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1lmn n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65