#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nzd s LYS 15 N 0.00 2.75 0.79 0.00 2.47 -1.26 -5.13 119.74 119.37 2nzd s LYS 15 Ca 0.00 -0.76 -0.14 0.00 -1.56 0.00 0.00 55.97 53.51 2nzd s LYS 15 Cb 0.00 -2.23 0.06 0.00 -1.46 0.00 0.00 37.83 34.21 2nzd s LYS 15 CO 0.00 -0.00 1.13 0.25 0.16 0.00 0.00 175.35 176.89 2nzd n THR 16 N 4.03 2.20 0.12 3.43 -2.24 -1.26 -4.84 114.28 115.73 2nzd n THR 16 Ca -0.20 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.32 2nzd n THR 16 Cb 0.52 -1.17 0.11 0.00 -2.10 0.00 0.00 70.33 67.69 2nzd n THR 16 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2nzd h ARG 17 N -0.76 0.00 -0.22 -0.78 3.08 -1.99 -1.97 114.38 111.74 2nzd h ARG 17 Ca -0.47 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.61 2nzd h ARG 17 Cb 1.31 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 2nzd h ARG 17 CO 0.46 0.68 0.05 0.77 -1.07 0.00 0.00 179.97 180.86 2nzd h SER 18 N 0.00 0.02 -0.18 7.04 0.02 -1.85 -1.12 113.55 117.48 2nzd h SER 18 Ca -0.01 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2nzd h SER 18 Cb 1.26 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 2nzd h SER 18 CO 0.09 0.04 0.08 0.77 -1.14 0.00 0.00 176.83 176.67 2nzd h SER 19 N 0.13 0.25 -0.99 3.07 4.64 -1.69 0.35 113.55 119.31 2nzd h SER 19 Ca 0.10 -0.14 0.18 0.00 -0.47 0.00 0.00 61.79 61.45 2nzd h SER 19 Cb 0.09 -0.06 -0.10 0.00 -0.31 0.00 0.00 62.40 62.01 2nzd h SER 19 CO -0.13 0.32 0.60 0.03 -0.87 0.00 0.00 176.83 176.78 2nzd h ARG 20 N 0.16 0.76 0.00 4.77 3.08 -1.24 -1.46 114.38 120.45 2nzd h ARG 20 Ca 0.06 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2nzd h ARG 20 Cb 0.14 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2nzd h ARG 20 CO -0.01 0.50 -0.53 0.00 -1.07 0.00 0.00 179.97 178.87 2nzd h ALA 21 N 1.62 0.75 0.00 0.04 0.00 -0.86 -3.48 119.26 117.33 2nzd h ALA 21 Ca 0.56 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2nzd h ALA 21 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2nzd h ALA 21 CO -0.37 0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2nzd n GLY 22 N 1.20 1.15 3.50 0.00 0.00 0.54 -5.07 105.19 106.52 2nzd n GLY 22 Ca 0.01 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 2nzd n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nzd s LEU 23 N 0.00 2.73 0.09 0.99 1.43 0.94 -4.99 118.68 119.87 2nzd s LEU 23 Ca 0.00 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2nzd s LEU 23 Cb 0.00 -1.56 -0.25 0.00 0.03 0.00 0.00 46.19 44.42 2nzd s LEU 23 CO 0.00 0.17 1.19 1.56 0.23 0.00 0.00 176.35 179.50 2nzd h GLN 24 N 3.66 0.13 -6.96 1.70 1.08 -1.97 -3.37 115.11 109.37 2nzd h GLN 24 Ca -0.50 -0.22 -0.47 0.00 -1.45 0.00 0.00 58.65 56.01 2nzd h GLN 24 Cb 1.17 0.08 0.01 0.00 -0.05 0.00 0.00 27.48 28.69 2nzd h GLN 24 CO 0.47 1.09 0.39 -0.06 -0.95 0.00 0.00 178.83 179.77 2nzd s PHE 25 N -2.68 3.33 -0.67 2.96 0.40 -1.26 -4.96 117.98 115.10 2nzd s PHE 25 Ca -0.02 1.66 -0.24 0.00 -0.60 0.00 0.00 56.93 57.73 2nzd s PHE 25 Cb 0.09 -3.06 0.06 0.00 0.51 0.00 0.00 43.02 40.61 2nzd s PHE 25 CO 0.85 -0.44 1.06 -1.25 0.70 0.00 0.00 175.22 176.13 2nzd s PRO 26 N -2.53 3.15 0.20 0.24 0.04 -1.26 -4.68 135.00 130.16 2nzd s PRO 26 Ca 0.57 -0.61 -0.11 0.00 0.04 0.00 0.00 61.00 60.89 2nzd s PRO 26 Cb -0.20 -4.20 0.25 0.00 0.04 0.00 0.00 34.50 30.39 2nzd s PRO 26 CO 0.25 -1.89 1.74 0.28 0.04 0.00 0.00 177.00 177.42 2nzd h VAL 27 N 5.99 0.76 -0.31 -0.36 2.07 -1.90 -1.49 116.25 121.02 2nzd h VAL 27 Ca -0.28 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.18 2nzd h VAL 27 Cb 1.06 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 2nzd h VAL 27 CO 1.20 0.06 -0.35 1.23 0.02 0.00 0.00 177.57 179.74 2nzd h GLY 28 N 0.36 -0.38 0.98 2.17 0.00 -1.93 0.19 103.07 104.45 2nzd h GLY 28 Ca 0.29 0.44 -0.00 0.00 0.00 0.00 0.00 47.33 48.05 2nzd h GLY 28 CO -0.31 -0.21 0.21 -0.09 0.00 0.00 0.00 176.54 176.14 2nzd h ARG 29 N -0.32 0.47 -0.54 4.80 2.43 -1.85 -1.76 114.38 117.61 2nzd h ARG 29 Ca 0.14 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2nzd h ARG 29 Cb 0.55 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2nzd h ARG 29 CO -0.48 0.35 0.33 0.28 -1.51 0.00 0.00 179.97 178.94 2nzd h VAL 30 N 0.45 1.16 -0.16 0.20 2.07 -1.00 0.84 116.25 119.81 2nzd h VAL 30 Ca 0.12 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.34 2nzd h VAL 30 Cb 0.01 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2nzd h VAL 30 CO -0.02 0.16 -0.16 -0.74 0.02 0.00 0.00 177.57 176.83 2nzd h HIS 31 N 0.73 -0.40 -0.88 1.57 -0.00 -0.26 -1.67 115.15 114.23 2nzd h HIS 31 Ca 0.19 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.58 2nzd h HIS 31 Cb -0.02 0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.55 2nzd h HIS 31 CO -0.03 -0.23 0.54 -0.09 -0.00 0.00 0.00 177.93 178.12 2nzd h ARG 32 N -0.18 1.20 0.00 5.26 2.43 -0.60 -1.86 114.38 120.63 2nzd h ARG 32 Ca 0.11 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2nzd h ARG 32 Cb 0.34 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2nzd h ARG 32 CO -0.27 0.83 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.71 2nzd h LEU 33 N 1.21 0.00 -0.11 3.80 3.38 -0.27 -1.47 115.31 121.85 2nzd h LEU 33 Ca 0.32 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.06 2nzd h LEU 33 Cb -0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.71 2nzd h LEU 33 CO -0.06 0.24 -0.83 -0.07 0.09 0.00 0.00 178.44 177.81 2nzd h LEU 34 N 0.00 0.92 -0.11 1.67 3.38 -0.48 -2.06 115.31 118.62 2nzd h LEU 34 Ca -0.00 -0.66 -0.06 0.00 0.09 0.00 0.00 57.88 57.25 2nzd h LEU 34 Cb 0.58 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2nzd h LEU 34 CO 0.03 1.44 -0.16 0.03 0.09 0.00 0.00 178.44 179.87 2nzd h ARG 35 N 0.47 0.31 0.00 1.13 3.08 -1.34 -3.16 114.38 114.87 2nzd h ARG 35 Ca -0.07 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2nzd h ARG 35 Cb 1.47 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.53 2nzd h ARG 35 CO 0.17 0.74 0.00 1.63 -1.07 0.00 0.00 179.97 181.44 2nzd n LYS 36 N -4.57 0.97 0.00 0.04 5.02 -0.57 -3.19 118.16 115.86 2nzd n LYS 36 Ca -0.07 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.33 2nzd n LYS 36 Cb 0.37 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 33.98 2nzd n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nzd n GLY 37 N 0.91 0.56 3.14 0.72 0.00 -0.78 -5.00 105.19 104.76 2nzd n GLY 37 Ca 0.22 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 2nzd n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2nzd n ASN 38 N 0.88 -4.04 -0.06 1.61 4.13 -1.19 -4.93 115.26 111.65 2nzd n ASN 38 Ca 0.12 -0.48 -0.11 0.00 1.68 0.00 0.00 54.58 55.79 2nzd n ASN 38 Cb 0.51 -4.30 -0.15 0.00 -1.54 0.00 0.00 39.78 34.31 2nzd n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2nzd n TYR 39 N -4.15 0.59 -3.46 3.10 4.02 -1.25 -5.00 117.16 111.01 2nzd n TYR 39 Ca -0.10 0.20 -0.13 0.00 -0.01 0.00 0.00 57.90 57.86 2nzd n TYR 39 Cb 0.59 -1.10 -0.03 0.00 -0.02 0.00 0.00 39.34 38.78 2nzd n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2nzd s ALA 40 N -2.55 -1.55 0.28 -0.72 0.00 -1.26 -5.04 121.76 110.92 2nzd s ALA 40 Ca -0.10 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.44 2nzd s ALA 40 Cb 0.07 0.73 0.58 0.00 0.00 0.00 0.00 23.12 24.50 2nzd s ALA 40 CO 0.81 -0.69 1.81 0.93 0.00 0.00 0.00 175.76 178.61 2nzd h GLU 41 N 2.21 0.84 -5.41 0.00 4.39 -1.97 -3.43 114.58 111.21 2nzd h GLU 41 Ca -0.33 -0.05 -0.42 0.00 0.34 0.00 0.00 59.36 58.90 2nzd h GLU 41 Cb 1.28 -0.19 -0.20 0.00 -0.10 0.00 0.00 28.75 29.53 2nzd h GLU 41 CO 0.39 0.56 -0.77 1.03 -1.16 0.00 0.00 179.01 179.05 2nzd s ARG 42 N -5.94 0.90 -0.12 2.33 0.52 -1.26 -5.10 118.95 110.28 2nzd s ARG 42 Ca -0.12 -1.07 -0.00 0.00 -0.52 0.00 0.00 55.73 54.02 2nzd s ARG 42 Cb 0.23 -0.88 0.03 0.00 0.52 0.00 0.00 34.95 34.85 2nzd s ARG 42 CO 0.80 0.18 -0.08 0.08 0.02 0.00 0.00 175.30 176.31 2nzd s VAL 43 N -1.59 1.07 0.82 3.52 1.01 -1.26 -5.08 120.40 118.88 2nzd s VAL 43 Ca 0.02 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 2nzd s VAL 43 Cb -0.08 -1.10 0.09 0.00 0.00 0.00 0.00 36.38 35.28 2nzd s VAL 43 CO 0.02 0.34 1.17 -0.83 0.00 0.00 0.00 175.10 175.80 2nzd s GLY 44 N 1.69 1.99 0.43 4.51 0.00 -1.26 -4.94 107.32 109.73 2nzd s GLY 44 Ca 0.04 0.69 0.15 0.00 0.00 0.00 0.00 44.72 45.60 2nzd s GLY 44 CO -0.08 1.09 1.93 0.00 0.00 0.00 0.00 173.10 176.05 2nzd h ALA 45 N -1.08 1.53 0.02 3.20 0.00 -2.04 -3.22 119.26 117.68 2nzd h ALA 45 Ca -0.45 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2nzd h ALA 45 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2nzd h ALA 45 CO 0.46 0.31 -0.01 0.78 0.00 0.00 0.00 179.25 180.79 2nzd h GLY 46 N 0.80 -0.03 -0.81 0.00 0.00 -2.02 -3.39 103.07 97.63 2nzd h GLY 46 Ca -0.00 0.01 0.19 0.00 0.00 0.00 0.00 47.33 47.53 2nzd h GLY 46 CO 0.03 -0.01 -0.19 0.00 0.00 0.00 0.00 176.54 176.37 2nzd h ALA 47 N 0.28 0.67 -0.00 3.60 0.00 -1.94 0.39 119.26 122.25 2nzd h ALA 47 Ca -0.00 0.35 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2nzd h ALA 47 Cb 0.61 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2nzd h ALA 47 CO 0.01 -0.41 -0.22 -1.00 0.00 0.00 0.00 179.25 177.62 2nzd h PRO 48 N 0.01 0.00 0.11 0.00 0.13 -1.76 -0.28 132.00 130.21 2nzd h PRO 48 Ca 0.45 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.58 2nzd h PRO 48 Cb 0.72 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2nzd h PRO 48 CO -0.92 0.23 -0.05 0.28 -0.23 0.00 0.00 178.00 177.31 2nzd h VAL 49 N 0.00 1.06 0.25 1.56 2.07 -0.47 -1.63 116.25 119.10 2nzd h VAL 49 Ca -0.00 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 2nzd h VAL 49 Cb 0.40 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2nzd h VAL 49 CO 0.03 0.16 -0.22 0.22 0.02 0.00 0.00 177.57 177.78 2nzd h TYR 50 N -0.46 -0.58 -0.75 1.57 -0.00 -1.01 -1.67 116.97 114.06 2nzd h TYR 50 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.71 2nzd h TYR 50 Cb 0.38 0.22 -0.04 0.00 -0.00 0.00 0.00 36.73 37.30 2nzd h TYR 50 CO 0.03 -0.33 0.44 1.25 -0.00 0.00 0.00 178.16 179.55 2nzd h LEU 51 N -0.50 0.91 -0.63 2.82 5.85 -1.13 -1.76 115.31 120.88 2nzd h LEU 51 Ca -0.01 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2nzd h LEU 51 Cb 0.45 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 2nzd h LEU 51 CO -0.03 0.72 0.33 0.00 -0.34 0.00 0.00 178.44 179.11 2nzd h ALA 52 N 1.23 0.84 -0.15 1.25 0.00 -0.96 -0.65 119.26 120.82 2nzd h ALA 52 Ca 0.27 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2nzd h ALA 52 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2nzd h ALA 52 CO -0.05 -0.02 0.09 0.00 0.00 0.00 0.00 179.25 179.26 2nzd h ALA 53 N 1.35 0.19 -1.00 0.00 0.00 -0.83 -0.75 119.26 118.22 2nzd h ALA 53 Ca 0.29 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.24 2nzd h ALA 53 Cb 0.22 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2nzd h ALA 53 CO -0.20 -0.28 0.64 0.28 0.00 0.00 0.00 179.25 179.68 2nzd h VAL 54 N 0.15 1.02 -0.28 0.00 2.07 -0.89 0.17 116.25 118.49 2nzd h VAL 54 Ca 0.05 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 2nzd h VAL 54 Cb 0.06 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.65 2nzd h VAL 54 CO -0.01 0.20 -0.28 -0.07 0.02 0.00 0.00 177.57 177.43 2nzd h LEU 55 N 1.09 0.74 -0.32 2.57 3.38 -0.74 -2.48 115.31 119.55 2nzd h LEU 55 Ca 0.45 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2nzd h LEU 55 Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2nzd h LEU 55 CO -0.20 1.06 0.19 -0.08 0.09 0.00 0.00 178.44 179.49 2nzd h GLU 56 N 0.43 0.44 -0.44 1.13 4.81 -0.72 -1.87 114.58 118.35 2nzd h GLU 56 Ca 0.04 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 2nzd h GLU 56 Cb 0.85 -0.09 -0.10 0.00 0.63 0.00 0.00 28.75 30.05 2nzd h GLU 56 CO 0.07 0.35 -0.26 -0.92 -0.73 0.00 0.00 179.01 177.53 2nzd h TYR 57 N 0.41 -0.68 -0.09 0.92 3.20 -0.51 -0.20 116.97 120.01 2nzd h TYR 57 Ca 0.11 0.05 -0.14 0.00 3.14 0.00 0.00 58.73 61.90 2nzd h TYR 57 Cb 0.03 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2nzd h TYR 57 CO -0.04 -0.33 -0.54 -0.07 -1.64 0.00 0.00 178.16 175.54 2nzd h LEU 58 N -0.17 0.30 -0.59 2.82 3.38 -1.23 -0.87 115.31 118.95 2nzd h LEU 58 Ca 0.20 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2nzd h LEU 58 Cb 0.49 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2nzd h LEU 58 CO -0.54 0.78 0.37 0.74 0.09 0.00 0.00 178.44 179.88 2nzd h THR 59 N 0.21 1.10 -0.69 0.22 2.02 -0.86 -1.55 112.91 113.35 2nzd h THR 59 Ca 0.00 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.85 2nzd h THR 59 Cb 1.02 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2nzd h THR 59 CO 0.09 0.14 0.13 0.00 0.37 0.00 0.00 175.52 176.24 2nzd h ALA 60 N 1.24 0.91 -0.20 6.16 0.00 -0.41 -1.46 119.26 125.51 2nzd h ALA 60 Ca 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2nzd h ALA 60 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2nzd h ALA 60 CO -0.08 0.67 0.01 1.49 0.00 0.00 0.00 179.25 181.35 2nzd h GLU 61 N 1.06 0.34 -0.63 0.00 4.57 -0.85 0.25 114.58 119.32 2nzd h GLU 61 Ca 0.21 -0.10 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 2nzd h GLU 61 Cb 0.43 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 2nzd h GLU 61 CO 0.01 0.52 0.18 0.82 -1.18 0.00 0.00 179.01 179.36 2nzd h ILE 62 N 0.11 1.25 -0.35 2.32 2.04 -1.28 -2.62 117.51 118.98 2nzd h ILE 62 Ca 0.06 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 2nzd h ILE 62 Cb 0.36 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2nzd h ILE 62 CO 0.01 0.33 -0.11 -0.07 0.00 0.00 0.00 178.15 178.31 2nzd h LEU 63 N 0.91 0.69 -0.52 1.44 3.38 -1.07 0.17 115.31 120.32 2nzd h LEU 63 Ca 0.20 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.86 2nzd h LEU 63 Cb 0.32 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 2nzd h LEU 63 CO -0.00 0.91 -0.51 -0.08 0.09 0.00 0.00 178.44 178.84 2nzd h GLU 64 N 0.47 -0.29 -0.05 1.13 4.57 -0.47 0.19 114.58 120.13 2nzd h GLU 64 Ca 0.09 0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.17 2nzd h GLU 64 Cb 0.62 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 2nzd h GLU 64 CO 0.04 -0.20 -0.49 -0.07 -1.18 0.00 0.00 179.01 177.12 2nzd h LEU 65 N -0.30 0.14 -0.12 1.64 3.38 -1.10 -2.39 115.31 116.55 2nzd h LEU 65 Ca 0.12 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 2nzd h LEU 65 Cb 0.57 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2nzd h LEU 65 CO -0.66 0.61 -1.00 0.00 0.09 0.00 0.00 178.44 177.48 2nzd h ALA 66 N 1.40 0.36 0.05 1.53 0.00 -0.31 -2.37 119.26 119.92 2nzd h ALA 66 Ca 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 2nzd h ALA 66 Cb 0.90 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2nzd h ALA 66 CO 0.07 0.97 -0.03 0.78 0.00 0.00 0.00 179.25 181.04 2nzd h GLY 67 N 1.89 -0.08 0.55 0.00 0.00 -0.44 -2.06 103.07 102.93 2nzd h GLY 67 Ca -0.07 0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.39 2nzd h GLY 67 CO 0.16 -0.03 0.55 3.43 0.00 0.00 0.00 176.54 180.64 2nzd h ASN 68 N -0.08 0.81 0.51 0.19 2.35 -1.36 -0.97 115.58 117.03 2nzd h ASN 68 Ca -0.00 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 2nzd h ASN 68 Cb 0.07 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2nzd h ASN 68 CO 0.00 0.47 -0.33 0.00 -1.65 0.00 0.00 177.43 175.92 2nzd h ALA 69 N 1.48 1.24 -0.08 -0.83 0.00 -1.27 -0.03 119.26 119.76 2nzd h ALA 69 Ca 0.43 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2nzd h ALA 69 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2nzd h ALA 69 CO -0.24 0.41 -0.24 0.00 0.00 0.00 0.00 179.25 179.18 2nzd h ALA 70 N 1.67 0.14 -0.12 0.00 0.00 -0.49 -2.92 119.26 117.54 2nzd h ALA 70 Ca -0.00 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.54 2nzd h ALA 70 Cb 0.67 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2nzd h ALA 70 CO 0.04 0.13 -0.05 -0.09 0.00 0.00 0.00 179.25 179.28 2nzd h ARG 71 N -0.17 -0.04 -1.00 0.00 2.43 -0.79 -0.98 114.38 113.84 2nzd h ARG 71 Ca -0.01 0.00 0.22 0.00 -0.81 0.00 0.00 59.98 59.38 2nzd h ARG 71 Cb 0.86 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.30 2nzd h ARG 71 CO 0.05 -0.02 0.59 -0.44 -1.51 0.00 0.00 179.97 178.64 2nzd h ASP 72 N -0.04 0.71 -0.24 -3.80 3.32 -1.07 0.08 116.42 115.38 2nzd h ASP 72 Ca 0.07 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2nzd h ASP 72 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2nzd h ASP 72 CO -0.15 0.18 0.00 0.59 -1.72 0.00 0.00 179.24 178.14 2nzd n ASN 73 N -4.84 1.68 -2.05 6.45 3.02 -0.74 -4.93 115.26 113.85 2nzd n ASN 73 Ca 0.25 -1.83 -0.09 0.00 -0.03 0.00 0.00 54.58 52.88 2nzd n ASN 73 Cb 0.66 -0.16 0.04 0.00 -0.61 0.00 0.00 39.78 39.71 2nzd n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2nzd n LYS 74 N 0.36 -3.25 -3.96 3.52 4.76 0.02 -5.06 118.16 114.55 2nzd n LYS 74 Ca 0.14 0.39 -0.09 0.00 -2.87 0.00 0.00 58.31 55.88 2nzd n LYS 74 Cb 0.30 -4.05 -0.09 0.00 -1.84 0.00 0.00 35.03 29.35 2nzd n LYS 74 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2nzd s LYS 75 N -4.95 0.60 -0.06 1.97 1.02 -0.45 -5.01 119.74 112.84 2nzd s LYS 75 Ca 0.09 -0.87 0.12 0.00 0.02 0.00 0.00 55.97 55.33 2nzd s LYS 75 Cb -0.04 0.23 -0.18 0.00 -0.52 0.00 0.00 37.83 37.32 2nzd s LYS 75 CO 0.33 -0.14 0.17 0.25 -0.92 0.00 0.00 175.35 175.04 2nzd n THR 76 N 0.61 0.39 -3.75 2.17 -2.24 -1.26 -3.61 114.28 106.58 2nzd n THR 76 Ca -0.18 -0.39 -0.36 0.00 -2.27 0.00 0.00 64.05 60.85 2nzd n THR 76 Cb 0.59 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.51 2nzd n THR 76 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2nzd s ARG 77 N -2.61 4.00 -0.04 -0.78 3.52 -1.26 -5.05 118.95 116.73 2nzd s ARG 77 Ca -0.05 -0.31 -0.30 0.00 -0.13 0.00 0.00 55.73 54.94 2nzd s ARG 77 Cb 0.06 -3.44 -0.06 0.00 -1.56 0.00 0.00 34.95 29.95 2nzd s ARG 77 CO 0.51 0.08 1.62 0.42 -0.81 0.00 0.00 175.30 177.13 2nzd s ILE 78 N 0.97 3.55 0.38 4.11 1.01 -1.26 -5.00 121.20 124.98 2nzd s ILE 78 Ca 0.06 0.73 0.08 0.00 0.00 0.00 0.00 60.65 61.52 2nzd s ILE 78 Cb -0.13 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 2nzd s ILE 78 CO 0.03 -0.05 0.29 0.27 0.00 0.00 0.00 174.94 175.48 2nzd s ILE 79 N 3.75 2.86 0.38 2.92 -4.36 -1.26 -5.02 121.20 120.48 2nzd s ILE 79 Ca 0.72 -1.47 0.12 0.00 -0.26 0.00 0.00 60.65 59.76 2nzd s ILE 79 Cb -0.34 -3.04 0.34 0.00 1.25 0.00 0.00 42.46 40.68 2nzd s ILE 79 CO 0.29 -0.07 1.88 -0.65 0.24 0.00 0.00 174.94 176.63 2nzd h PRO 80 N 1.23 0.56 -0.86 0.37 0.11 -1.89 0.51 132.00 132.03 2nzd h PRO 80 Ca -0.43 -0.03 0.17 0.00 0.11 0.00 0.00 66.00 65.82 2nzd h PRO 80 Cb 1.26 -0.13 -0.10 0.00 0.11 0.00 0.00 31.00 32.14 2nzd h PRO 80 CO 0.61 0.37 0.43 -0.09 -0.21 0.00 0.00 178.00 179.10 2nzd h ARG 81 N 0.57 0.54 -0.20 1.05 9.65 -1.80 0.05 114.38 124.25 2nzd h ARG 81 Ca 0.43 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 59.14 2nzd h ARG 81 Cb 0.83 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 2nzd h ARG 81 CO -0.18 0.36 -0.45 0.45 2.80 0.00 0.00 179.97 182.94 2nzd h HIS 82 N 0.56 0.60 -0.39 2.20 3.86 -1.24 -0.26 115.15 120.47 2nzd h HIS 82 Ca 0.49 -0.18 -0.06 0.00 -1.16 0.00 0.00 60.37 59.46 2nzd h HIS 82 Cb 0.78 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 2nzd h HIS 82 CO -0.10 0.86 0.01 -0.07 0.86 0.00 0.00 177.93 179.49 2nzd h LEU 83 N 0.40 0.67 0.29 2.43 3.38 -1.16 0.39 115.31 121.72 2nzd h LEU 83 Ca 0.03 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2nzd h LEU 83 Cb 0.95 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2nzd h LEU 83 CO 0.08 0.80 -0.35 -0.61 0.09 0.00 0.00 178.44 178.46 2nzd h GLN 84 N 0.52 -0.66 -0.93 1.13 5.75 -0.75 -0.74 115.11 119.42 2nzd h GLN 84 Ca 0.11 0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.72 2nzd h GLN 84 Cb 0.45 0.15 -0.06 0.00 1.07 0.00 0.00 27.48 29.09 2nzd h GLN 84 CO 0.02 -0.44 0.61 -0.07 -2.65 0.00 0.00 178.83 176.29 2nzd h LEU 85 N -0.69 0.95 -0.21 -2.39 3.38 -1.01 -1.12 115.31 114.22 2nzd h LEU 85 Ca -0.01 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2nzd h LEU 85 Cb 0.64 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2nzd h LEU 85 CO -0.09 0.61 0.01 0.00 0.09 0.00 0.00 178.44 179.06 2nzd h ALA 86 N 1.49 0.20 0.00 1.53 0.00 -0.30 -2.94 119.26 119.24 2nzd h ALA 86 Ca 0.40 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 2nzd h ALA 86 Cb 0.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2nzd h ALA 86 CO -0.15 -0.42 -0.00 0.28 0.00 0.00 0.00 179.25 178.96 2nzd h VAL 87 N 0.08 1.61 0.00 0.00 2.07 -0.43 -3.21 116.25 116.37 2nzd h VAL 87 Ca 0.10 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.79 2nzd h VAL 87 Cb 0.12 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2nzd h VAL 87 CO -0.16 0.47 0.00 0.54 0.02 0.00 0.00 177.57 178.44 2nzd n ARG 88 N -4.72 0.04 -0.00 1.57 5.12 -0.49 -1.83 116.66 116.35 2nzd n ARG 88 Ca -0.09 0.09 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 2nzd n ARG 88 Cb 0.38 -1.55 0.49 0.00 -1.16 0.00 0.00 32.46 30.62 2nzd n ARG 88 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2nzd n ASN 89 N -1.62 1.60 -4.12 0.55 3.02 -1.11 -4.76 115.26 108.82 2nzd n ASN 89 Ca 0.06 -1.54 -0.33 0.00 -0.03 0.00 0.00 54.58 52.74 2nzd n ASN 89 Cb 0.31 -0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.33 2nzd n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2nzd s ASP 90 N -1.99 4.06 0.32 6.41 2.15 -0.76 -5.01 116.67 121.84 2nzd s ASP 90 Ca 0.37 -1.05 0.11 0.00 0.43 0.00 0.00 52.55 52.41 2nzd s ASP 90 Cb 0.21 -1.56 0.94 0.00 -0.30 0.00 0.00 42.92 42.20 2nzd s ASP 90 CO 0.33 -0.12 1.71 -0.08 -0.17 0.00 0.00 175.17 176.83 2nzd h GLU 91 N 7.89 0.47 0.09 4.34 4.81 -1.86 -0.85 114.58 129.47 2nzd h GLU 91 Ca -0.30 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 58.65 2nzd h GLU 91 Cb 1.09 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2nzd h GLU 91 CO 0.54 0.31 -1.28 0.93 -0.73 0.00 0.00 179.01 178.79 2nzd h GLU 92 N 0.49 0.19 -0.94 1.92 5.08 -1.95 -2.97 114.58 116.41 2nzd h GLU 92 Ca 0.67 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.72 2nzd h GLU 92 Cb 1.36 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.68 2nzd h GLU 92 CO -0.52 1.16 0.61 -0.07 -1.00 0.00 0.00 179.01 179.19 2nzd h LEU 93 N -0.44 1.03 -0.98 1.33 3.38 -1.77 -1.77 115.31 116.09 2nzd h LEU 93 Ca -0.28 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.74 2nzd h LEU 93 Cb 1.65 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 42.09 2nzd h LEU 93 CO 0.02 0.72 0.62 -1.13 0.09 0.00 0.00 178.44 178.77 2nzd h ASN 94 N 1.21 0.99 -0.22 -0.43 -1.24 -1.02 0.45 115.58 115.30 2nzd h ASN 94 Ca 0.36 0.02 -0.14 0.00 0.71 0.00 0.00 56.30 57.25 2nzd h ASN 94 Cb -0.04 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 38.82 2nzd h ASN 94 CO -0.11 0.61 -0.40 0.50 -1.29 0.00 0.00 177.43 176.75 2nzd h LYS 95 N 1.11 0.66 -0.36 6.67 3.64 -1.18 0.57 116.57 127.69 2nzd h LYS 95 Ca 0.43 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2nzd h LYS 95 Cb 0.21 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2nzd h LYS 95 CO -0.19 1.03 0.05 1.25 -2.27 0.00 0.00 179.45 179.32 2nzd h LEU 96 N 0.37 0.51 -3.63 5.20 5.85 -0.98 -1.77 115.31 120.86 2nzd h LEU 96 Ca 0.01 -0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.51 2nzd h LEU 96 Cb 0.99 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.81 2nzd h LEU 96 CO 0.09 0.55 0.16 0.18 -0.34 0.00 0.00 178.44 179.08 2nzd n LEU 97 N -4.30 5.71 -0.12 2.25 4.77 0.11 -4.66 117.00 120.75 2nzd n LEU 97 Ca 0.02 -3.16 0.12 0.00 -0.03 0.00 0.00 56.01 52.96 2nzd n LEU 97 Cb 0.22 -0.71 0.48 0.00 -2.33 0.00 0.00 43.42 41.08 2nzd n LEU 97 CO 0.38 0.77 1.20 1.23 -1.33 0.00 0.00 177.39 179.64 2nzd h GLY 98 N 2.85 0.67 -2.94 -0.72 0.00 0.06 -1.69 103.07 101.30 2nzd h GLY 98 Ca 0.17 -0.19 -0.37 0.00 0.00 0.00 0.00 47.33 46.94 2nzd h GLY 98 CO 0.61 0.11 0.08 0.54 0.00 0.00 0.00 176.54 177.88 2nzd n ARG 99 N -4.48 2.29 -4.99 4.80 1.74 -1.26 -4.98 116.66 109.79 2nzd n ARG 99 Ca 0.11 -3.33 -0.28 0.00 -0.77 0.00 0.00 57.85 53.59 2nzd n ARG 99 Cb 0.39 -2.02 -0.15 0.00 -1.02 0.00 0.00 32.46 29.66 2nzd n ARG 99 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2nzd s VAL 100 N -3.71 1.73 -0.14 1.55 1.01 -0.64 -5.13 120.40 115.08 2nzd s VAL 100 Ca 0.51 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 2nzd s VAL 100 Cb 0.44 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2nzd s VAL 100 CO 0.02 0.43 -0.04 -0.89 0.00 0.00 0.00 175.10 174.62 2nzd s THR 101 N -0.57 3.91 -0.44 3.92 2.01 -1.26 -5.04 115.64 118.17 2nzd s THR 101 Ca 0.08 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 2nzd s THR 101 Cb -0.08 -2.69 0.05 0.00 0.01 0.00 0.00 72.50 69.78 2nzd s THR 101 CO -0.00 0.52 0.33 -0.63 -0.69 0.00 0.00 174.62 174.15 2nzd s ILE 102 N 0.09 5.15 0.31 1.82 1.01 -1.26 -5.05 121.20 123.27 2nzd s ILE 102 Ca -0.00 -0.89 -0.27 0.00 0.00 0.00 0.00 60.65 59.48 2nzd s ILE 102 Cb -0.13 -3.98 -0.13 0.00 0.01 0.00 0.00 42.46 38.22 2nzd s ILE 102 CO 0.03 -0.43 0.99 0.00 0.00 0.00 0.00 174.94 175.52 2nzd n ALA 103 N 5.16 -0.21 -2.59 9.38 0.00 -1.26 -1.49 120.51 129.49 2nzd n ALA 103 Ca -0.12 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 2nzd n ALA 103 Cb 0.45 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2nzd n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nzd n GLN 104 N 0.64 -2.64 -0.01 0.00 1.13 -1.26 -4.84 117.38 110.39 2nzd n GLN 104 Ca 0.09 0.94 -0.22 0.00 -1.94 0.00 0.00 57.00 55.88 2nzd n GLN 104 Cb 0.33 -5.66 -0.13 0.00 0.11 0.00 0.00 30.24 24.89 2nzd n GLN 104 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2nzd h GLY 105 N -0.40 0.24 0.00 1.08 0.00 -1.53 -3.19 103.07 99.27 2nzd h GLY 105 Ca -0.49 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.22 2nzd h GLY 105 CO 0.56 0.54 0.00 0.61 0.00 0.00 0.00 176.54 178.25 2nzd n GLY 106 N 1.77 -0.95 3.56 4.60 0.00 -1.26 -4.59 105.19 108.31 2nzd n GLY 106 Ca -0.29 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 2nzd n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nzd s VAL 107 N 0.00 1.70 0.33 1.61 -7.23 -1.26 -5.01 120.40 110.54 2nzd s VAL 107 Ca 0.00 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.89 2nzd s VAL 107 Cb 0.00 -2.92 -0.10 0.00 0.56 0.00 0.00 36.38 33.92 2nzd s VAL 107 CO 0.00 -0.00 1.21 -0.76 -0.31 0.00 0.00 175.10 175.23 2nzd s LEU 108 N -3.63 4.41 -0.34 1.32 1.43 -1.26 -4.95 118.68 115.66 2nzd s LEU 108 Ca 0.36 2.47 -0.28 0.00 -1.03 0.00 0.00 54.13 55.65 2nzd s LEU 108 Cb 0.10 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 2nzd s LEU 108 CO 0.17 -0.44 2.12 -2.84 0.23 0.00 0.00 176.35 175.59 2nzd s PRO 109 N -1.80 2.90 -0.18 1.29 0.02 -1.26 -4.92 135.00 131.05 2nzd s PRO 109 Ca 0.49 1.61 -0.04 0.00 0.02 0.00 0.00 61.00 63.08 2nzd s PRO 109 Cb -0.35 -4.38 0.09 0.00 0.02 0.00 0.00 34.50 29.88 2nzd s PRO 109 CO 0.46 -2.36 0.28 1.21 -0.33 0.00 0.00 177.00 176.26 2nzd s ASN 110 N 8.59 0.61 -0.11 2.53 2.47 -1.26 -5.14 114.94 122.62 2nzd s ASN 110 Ca 0.92 0.29 0.00 0.00 0.42 0.00 0.00 52.86 54.49 2nzd s ASN 110 Cb -0.25 0.73 -0.02 0.00 -1.45 0.00 0.00 41.25 40.26 2nzd s ASN 110 CO 0.31 -0.28 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.67 2nzd s ILE 111 N 2.43 3.20 0.18 -5.21 1.01 -1.26 -5.10 121.20 116.45 2nzd s ILE 111 Ca 0.05 -0.63 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 2nzd s ILE 111 Cb -0.14 -2.33 -0.10 0.00 0.01 0.00 0.00 42.46 39.90 2nzd s ILE 111 CO -0.11 0.54 1.55 -1.10 0.00 0.00 0.00 174.94 175.81 2nzd s GLN 112 N 0.05 4.22 0.21 2.79 -1.52 -1.26 -4.91 119.66 119.25 2nzd s GLN 112 Ca -0.04 2.36 -0.09 0.00 -1.95 0.00 0.00 55.36 55.64 2nzd s GLN 112 Cb -0.14 -3.14 0.25 0.00 -0.22 0.00 0.00 33.01 29.76 2nzd s GLN 112 CO 0.04 -0.58 1.81 0.66 -0.25 0.00 0.00 175.29 176.97 2nzd h SER 113 N 6.48 0.57 0.00 5.90 4.64 -1.99 -0.48 113.55 128.68 2nzd h SER 113 Ca -0.43 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2nzd h SER 113 Cb 1.21 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2nzd h SER 113 CO 0.89 0.37 0.02 0.55 -0.87 0.00 0.00 176.83 177.79 2nzd n VAL 114 N -4.78 1.22 0.30 0.95 3.14 -1.26 -0.52 118.33 117.38 2nzd n VAL 114 Ca 0.09 0.69 0.12 0.00 -2.96 0.00 0.00 64.34 62.27 2nzd n VAL 114 Cb 0.18 -1.69 0.11 0.00 -1.06 0.00 0.00 33.84 31.38 2nzd n VAL 114 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2nzd h LEU 115 N 0.00 0.00 -9.88 6.55 3.38 -1.46 -3.47 115.31 110.43 2nzd h LEU 115 Ca 0.00 -0.06 -0.51 0.00 0.09 0.00 0.00 57.88 57.39 2nzd h LEU 115 Cb 0.05 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.84 2nzd h LEU 115 CO 0.00 0.03 0.55 -0.76 0.09 0.00 0.00 178.44 178.35 2nzd s LEU 116 N -5.13 4.37 0.44 1.67 1.43 0.32 -4.97 118.68 116.81 2nzd s LEU 116 Ca 0.04 2.46 -0.25 0.00 -1.03 0.00 0.00 54.13 55.34 2nzd s LEU 116 Cb 0.10 -3.78 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 2nzd s LEU 116 CO 0.73 -0.49 1.38 -0.81 0.23 0.00 0.00 176.35 177.39 2nzd n PRO 117 N 0.63 2.15 -2.35 1.29 -0.04 -1.26 -4.89 135.00 130.53 2nzd n PRO 117 Ca 0.01 0.77 -0.43 0.00 -0.04 0.00 0.00 63.50 63.81 2nzd n PRO 117 Cb 0.44 -2.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.33 2nzd n PRO 117 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2nzd s LYS 118 N -2.35 3.70 0.00 0.54 1.02 -1.26 -5.17 119.74 116.21 2nzd s LYS 118 Ca 0.61 1.09 0.25 0.00 0.02 0.00 0.00 55.97 57.94 2nzd s LYS 118 Cb -0.47 -3.98 1.50 0.00 -0.52 0.00 0.00 37.83 34.35 2nzd s LYS 118 CO 0.58 -1.41 1.85 1.63 -0.92 0.00 0.00 175.35 177.08