#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bnv s GLU 14 N 0.00 4.17 -0.27 3.23 2.12 -1.26 -4.78 118.70 121.91 3bnv s GLU 14 Ca 0.00 2.36 0.13 0.00 0.36 0.00 0.00 54.97 57.82 3bnv s GLU 14 Cb 0.00 -4.00 0.47 0.00 0.26 0.00 0.00 34.13 30.87 3bnv s GLU 14 CO 0.00 -0.87 1.17 -0.85 -0.54 0.00 0.00 175.26 174.16 3bnv n GLU 15 N 7.07 2.80 0.00 4.30 0.28 -1.26 -5.20 120.64 128.63 3bnv n GLU 15 Ca 0.18 -3.85 0.00 0.00 -0.16 0.00 0.00 57.16 53.33 3bnv n GLU 15 Cb 0.42 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.33 3bnv n GLU 15 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3bnv n TYR 16 N -0.66 0.00 0.00 -1.84 4.02 -1.26 -5.31 117.16 112.11 3bnv n TYR 16 Ca 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 3bnv n TYR 16 Cb 0.91 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.23 3bnv n TYR 16 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3bnv n GLU 20 N -1.48 0.00 0.26 -0.72 2.13 -1.26 -5.09 120.64 114.48 3bnv n GLU 20 Ca 0.00 0.00 0.17 0.00 0.66 0.00 0.00 57.16 57.99 3bnv n GLU 20 Cb 0.20 0.00 0.76 0.00 0.27 0.00 0.00 31.44 32.67 3bnv n GLU 20 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 3bnv h ASP 21 N 0.00 0.00 0.35 4.31 3.04 -1.99 -1.36 116.42 120.76 3bnv h ASP 21 Ca 0.00 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.77 3bnv h ASP 21 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3bnv h ASP 21 CO 0.00 0.00 -0.17 0.40 -2.04 0.00 0.00 179.24 177.43 3bnv h ILE 22 N 0.00 0.00 0.00 4.15 2.04 -1.91 -2.99 117.51 118.80 3bnv h ILE 22 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3bnv h ILE 22 Cb 0.37 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3bnv h ILE 22 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 176.95 3bnv n SER 23 N -3.27 0.28 -0.04 1.72 7.64 -0.58 0.42 113.62 119.79 3bnv n SER 23 Ca -0.06 -0.63 -0.03 0.00 1.01 0.00 0.00 58.87 59.16 3bnv n SER 23 Cb 0.19 -0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.24 3bnv n SER 23 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3bnv n ARG 24 N 0.25 0.25 -0.28 1.43 0.63 -0.83 -4.58 116.66 113.53 3bnv n ARG 24 Ca 0.00 0.35 -0.05 0.00 -0.92 0.00 0.00 57.85 57.24 3bnv n ARG 24 Cb 0.07 -1.22 -0.03 0.00 0.45 0.00 0.00 32.46 31.73 3bnv n ARG 24 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3bnv n VAL 25 N -3.55 -0.42 -0.28 5.15 0.24 0.17 0.21 118.33 119.84 3bnv n VAL 25 Ca -0.05 1.65 -0.04 0.00 -2.04 0.00 0.00 64.34 63.86 3bnv n VAL 25 Cb 0.17 -2.10 -0.02 0.00 -1.47 0.00 0.00 33.84 30.42 3bnv n VAL 25 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3bnv n ARG 26 N -4.93 -0.24 -0.08 7.34 5.12 -1.13 0.13 116.66 122.87 3bnv n ARG 26 Ca 0.04 1.07 0.01 0.00 -1.93 0.00 0.00 57.85 57.05 3bnv n ARG 26 Cb 0.22 -1.59 0.05 0.00 -1.16 0.00 0.00 32.46 29.99 3bnv n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bnv n ALA 27 N -3.55 2.57 0.00 7.54 0.00 0.55 -3.28 120.51 124.34 3bnv n ALA 27 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3bnv n ALA 27 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3bnv n ALA 27 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3bnv n GLU 28 N -0.08 3.30 -2.48 0.00 2.13 0.35 -5.02 120.64 118.84 3bnv n GLU 28 Ca 0.04 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.45 3bnv n GLU 28 Cb 0.21 -0.92 -0.04 0.00 0.27 0.00 0.00 31.44 30.96 3bnv n GLU 28 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 3bnv s LEU 29 N -3.55 4.55 -0.23 4.31 0.05 0.39 -4.92 118.68 119.27 3bnv s LEU 29 Ca 0.00 2.24 -0.08 0.00 0.05 0.00 0.00 54.13 56.34 3bnv s LEU 29 Cb 0.00 -3.62 -0.17 0.00 -2.05 0.00 0.00 46.19 40.34 3bnv s LEU 29 CO 0.00 -0.15 -0.10 0.18 -0.55 0.00 0.00 176.35 175.74 3bnv n LEU 30 N 1.35 2.43 -4.51 1.48 4.77 -1.26 -4.93 117.00 116.33 3bnv n LEU 30 Ca -0.01 0.16 -0.38 0.00 -0.03 0.00 0.00 56.01 55.75 3bnv n LEU 30 Cb 0.45 -0.93 0.04 0.00 -2.33 0.00 0.00 43.42 40.66 3bnv n LEU 30 CO 0.54 0.71 0.18 0.41 -1.33 0.00 0.00 177.39 177.91 3bnv n THR 31 N -3.79 2.62 -4.14 -5.08 -1.04 -1.23 -3.74 114.28 97.89 3bnv n THR 31 Ca -0.44 -0.49 -0.30 0.00 -2.04 0.00 0.00 64.05 60.77 3bnv n THR 31 Cb 0.92 -0.80 -0.04 0.00 -1.82 0.00 0.00 70.33 68.59 3bnv n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bnv h PRO 33 N -1.69 0.00 -0.35 0.00 0.13 -1.93 -2.10 132.00 126.06 3bnv h PRO 33 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3bnv h PRO 33 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3bnv h PRO 33 CO 0.70 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.86 3bnv n GLU 34 N -4.12 2.50 -1.73 0.86 -0.58 -1.26 -5.02 120.64 111.29 3bnv n GLU 34 Ca 0.10 -2.01 -0.42 0.00 -0.42 0.00 0.00 57.16 54.41 3bnv n GLU 34 Cb 0.67 -1.31 -0.01 0.00 -0.57 0.00 0.00 31.44 30.21 3bnv n GLU 34 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3bnv n LEU 35 N 0.73 4.14 -4.57 -4.62 0.00 -0.79 -4.90 117.00 106.98 3bnv n LEU 35 Ca 0.13 1.17 -0.41 0.00 0.00 0.00 0.00 56.01 56.90 3bnv n LEU 35 Cb 0.44 -1.56 -0.03 0.00 0.00 0.00 0.00 43.42 42.27 3bnv n LEU 35 CO 0.09 -0.02 1.46 0.21 0.00 0.00 0.00 177.39 179.13 3bnv s ASN 36 N 0.27 5.72 0.00 1.96 3.84 -1.26 -4.84 114.94 120.63 3bnv s ASN 36 Ca 0.62 0.50 0.21 0.00 0.21 0.00 0.00 52.86 54.40 3bnv s ASN 36 Cb -0.53 -2.54 1.00 0.00 -0.55 0.00 0.00 41.25 38.64 3bnv s ASN 36 CO 0.53 -1.99 1.67 0.35 -2.79 0.00 0.00 177.10 174.87 3bnv n THR 37 N 7.11 0.43 1.02 -5.21 -2.24 -1.26 -1.64 114.28 112.49 3bnv n THR 37 Ca 0.18 0.11 0.13 0.00 -2.27 0.00 0.00 64.05 62.20 3bnv n THR 37 Cb 0.50 -0.75 0.45 0.00 -2.10 0.00 0.00 70.33 68.43 3bnv n THR 37 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3bnv n SER 38 N -1.37 0.25 -0.00 3.42 3.41 -1.26 -1.58 113.62 116.49 3bnv n SER 38 Ca 0.08 0.10 0.04 0.00 -0.26 0.00 0.00 58.87 58.84 3bnv n SER 38 Cb 0.20 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 3bnv n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bnv n LEU 39 N -1.47 0.00 -0.03 1.04 4.77 -0.65 -4.70 117.00 115.96 3bnv n LEU 39 Ca 0.07 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 3bnv n LEU 39 Cb 0.33 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3bnv n LEU 39 CO 0.30 0.00 0.04 0.00 -1.33 0.00 0.00 177.39 176.41 3bnv n ALA 40 N -1.81 2.52 0.00 -1.18 0.00 -0.98 -4.70 120.51 114.35 3bnv n ALA 40 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3bnv n ALA 40 Cb 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3bnv n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bnv n GLY 41 N 0.96 0.39 3.18 0.00 0.00 -0.62 -3.91 105.19 105.20 3bnv n GLY 41 Ca 0.01 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 3bnv n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bnv s THR 42 N -1.11 1.71 -0.01 2.61 2.01 -0.55 -4.53 115.64 115.77 3bnv s THR 42 Ca 0.00 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 60.85 3bnv s THR 42 Cb 0.00 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 3bnv s THR 42 CO 0.00 0.48 1.02 -0.63 -0.69 0.00 0.00 174.62 174.80 3bnv s ILE 43 N 0.11 4.74 -0.02 1.82 -1.09 -1.26 -1.50 121.20 124.00 3bnv s ILE 43 Ca -0.08 1.97 0.00 0.00 -2.23 0.00 0.00 60.65 60.32 3bnv s ILE 43 Cb -0.14 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 3bnv s ILE 43 CO 0.04 0.12 0.38 2.30 -1.23 0.00 0.00 174.94 176.55 3bnv n ILE 44 N 4.03 0.00 -3.64 2.92 -5.35 0.33 -4.83 119.36 112.83 3bnv n ILE 44 Ca 0.07 -0.50 -0.10 0.00 -0.27 0.00 0.00 62.75 61.95 3bnv n ILE 44 Cb 0.50 1.00 -0.07 0.00 -1.74 0.00 0.00 39.64 39.33 3bnv n ILE 44 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3bnv s GLU 45 N -0.28 0.63 -0.01 6.28 2.12 -1.05 -4.72 118.70 121.67 3bnv s GLU 45 Ca 0.00 0.82 -0.09 0.00 0.36 0.00 0.00 54.97 56.05 3bnv s GLU 45 Cb 0.00 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.67 3bnv s GLU 45 CO 0.00 -0.09 0.19 -1.50 -0.54 0.00 0.00 175.26 173.33 3bnv s ILE 46 N 0.55 0.07 0.23 -3.70 2.07 -1.26 -0.92 121.20 118.25 3bnv s ILE 46 Ca -0.01 -0.60 -0.21 0.00 -1.41 0.00 0.00 60.65 58.42 3bnv s ILE 46 Cb -0.05 -0.48 0.06 0.00 0.13 0.00 0.00 42.46 42.12 3bnv s ILE 46 CO -0.06 -0.33 0.93 -0.62 -1.91 0.00 0.00 174.94 172.95 3bnv s ASP 47 N -1.30 -0.07 0.03 4.50 2.15 -0.37 -4.97 116.67 116.64 3bnv s ASP 47 Ca -0.14 -0.71 -0.34 0.00 0.43 0.00 0.00 52.55 51.80 3bnv s ASP 47 Cb -0.07 0.60 -0.13 0.00 -0.30 0.00 0.00 42.92 43.03 3bnv s ASP 47 CO 0.02 -1.17 1.74 0.29 -0.17 0.00 0.00 175.17 175.89 3bnv n LYS 48 N -0.57 2.18 -1.27 4.34 4.76 -1.26 -1.85 118.16 124.49 3bnv n LYS 48 Ca -0.05 0.79 -0.09 0.00 -2.87 0.00 0.00 58.31 56.09 3bnv n LYS 48 Cb 0.60 -2.61 -0.04 0.00 -1.84 0.00 0.00 35.03 31.14 3bnv n LYS 48 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3bnv n ASN 49 N 5.19 -4.84 -3.76 4.39 3.02 -1.11 -4.94 115.26 113.19 3bnv n ASN 49 Ca 0.20 0.23 -0.13 0.00 -0.03 0.00 0.00 54.58 54.85 3bnv n ASN 49 Cb 0.29 -3.16 -0.10 0.00 -0.61 0.00 0.00 39.78 36.21 3bnv n ASN 49 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3bnv s TYR 50 N -2.10 -0.30 -0.01 3.10 6.14 -0.77 -0.77 117.35 122.64 3bnv s TYR 50 Ca 0.00 0.69 -0.29 0.00 0.64 0.00 0.00 57.07 58.11 3bnv s TYR 50 Cb 0.00 0.11 0.07 0.00 0.42 0.00 0.00 41.96 42.57 3bnv s TYR 50 CO 0.00 -0.23 0.69 0.00 0.64 0.00 0.00 175.55 176.65 3bnv s ALA 51 N -0.27 -1.75 -0.01 3.97 0.00 -0.93 -1.24 121.76 121.53 3bnv s ALA 51 Ca -0.04 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.09 3bnv s ALA 51 Cb -0.03 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.24 3bnv s ALA 51 CO 0.01 -0.46 -0.05 0.21 0.00 0.00 0.00 175.76 175.48 3bnv s LYS 52 N -1.76 0.48 0.17 0.00 2.20 -0.09 -0.42 119.74 120.32 3bnv s LYS 52 Ca -0.08 -0.15 -0.04 0.00 -0.36 0.00 0.00 55.97 55.34 3bnv s LYS 52 Cb -0.00 -0.49 -0.03 0.00 -1.51 0.00 0.00 37.83 35.80 3bnv s LYS 52 CO 0.04 0.06 0.17 -1.54 -0.36 0.00 0.00 175.35 173.73 3bnv s SER 53 N 0.13 0.16 -0.01 1.43 1.04 -0.27 -0.51 113.70 115.67 3bnv s SER 53 Ca -0.01 -1.16 0.02 0.00 0.48 0.00 0.00 55.95 55.28 3bnv s SER 53 Cb -0.05 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 3bnv s SER 53 CO -0.00 -0.84 -0.08 0.27 0.98 0.00 0.00 173.24 173.56 3bnv s ILE 54 N -4.06 0.63 -0.22 -1.02 -5.25 -0.56 -0.93 121.20 109.78 3bnv s ILE 54 Ca 0.27 -0.34 0.00 0.00 -0.99 0.00 0.00 60.65 59.60 3bnv s ILE 54 Cb 0.06 -0.53 0.03 0.00 2.95 0.00 0.00 42.46 44.96 3bnv s ILE 54 CO 0.05 0.18 -0.13 -0.22 -1.79 0.00 0.00 174.94 173.03 3bnv s LEU 55 N -0.17 2.79 -0.31 0.37 2.96 0.31 -1.48 118.68 123.16 3bnv s LEU 55 Ca 0.03 -0.88 -0.21 0.00 -0.22 0.00 0.00 54.13 52.85 3bnv s LEU 55 Cb -0.03 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 3bnv s LEU 55 CO -0.00 -0.08 0.66 -0.63 -1.32 0.00 0.00 176.35 174.97 3bnv s ILE 56 N 1.27 4.91 0.32 6.68 1.01 -1.26 -0.59 121.20 133.53 3bnv s ILE 56 Ca 0.00 0.89 -0.29 0.00 0.00 0.00 0.00 60.65 61.26 3bnv s ILE 56 Cb -0.16 -4.03 -0.10 0.00 0.01 0.00 0.00 42.46 38.18 3bnv s ILE 56 CO -0.08 -0.17 1.28 0.42 0.00 0.00 0.00 174.94 176.39 3bnv s THR 57 N 2.67 2.83 0.25 2.92 -4.23 -1.00 -5.00 115.64 114.08 3bnv s THR 57 Ca 0.26 0.83 0.04 0.00 -1.18 0.00 0.00 61.69 61.64 3bnv s THR 57 Cb -0.15 -3.53 -0.05 0.00 1.34 0.00 0.00 72.50 70.11 3bnv s THR 57 CO 0.12 0.20 -0.00 0.42 -0.54 0.00 0.00 174.62 174.81 3bnv s THR 58 N -1.10 1.12 -0.31 3.99 -4.23 -1.26 -4.26 115.64 109.59 3bnv s THR 58 Ca 0.49 -2.04 0.21 0.00 -1.18 0.00 0.00 61.69 59.16 3bnv s THR 58 Cb -0.39 -2.41 0.21 0.00 1.34 0.00 0.00 72.50 71.26 3bnv s THR 58 CO 0.51 -0.28 1.63 -1.54 -0.54 0.00 0.00 174.62 174.40 3bnv n SER 59 N -0.47 0.55 -1.58 3.99 3.41 -1.26 -3.98 113.62 114.29 3bnv n SER 59 Ca -0.05 0.73 -0.01 0.00 -0.26 0.00 0.00 58.87 59.28 3bnv n SER 59 Cb 0.64 -0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 63.76 3bnv n SER 59 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3bnv n GLU 60 N -2.21 1.07 -0.71 4.33 2.13 -1.26 -5.00 120.64 118.99 3bnv n GLU 60 Ca -0.01 -0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.71 3bnv n GLU 60 Cb 0.07 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 30.65 3bnv n GLU 60 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3bnv n VAL 62 N 1.63 -2.06 0.66 6.31 0.24 -1.26 -5.09 118.33 118.76 3bnv n VAL 62 Ca 0.05 0.86 0.11 0.00 -2.04 0.00 0.00 64.34 63.31 3bnv n VAL 62 Cb 0.52 -1.28 0.01 0.00 -1.47 0.00 0.00 33.84 31.63 3bnv n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bnv n ALA 63 N -1.52 3.61 -2.38 2.33 0.00 0.10 -4.68 120.51 117.98 3bnv n ALA 63 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 3bnv n ALA 63 Cb 0.12 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 18.54 3bnv n ALA 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bnv s ASP 64 N -3.71 0.18 -0.05 0.00 -0.00 -1.25 -5.04 116.67 106.81 3bnv s ASP 64 Ca 0.05 -1.13 0.09 0.00 -0.00 0.00 0.00 52.55 51.55 3bnv s ASP 64 Cb 0.15 0.37 0.33 0.00 -0.00 0.00 0.00 42.92 43.77 3bnv s ASP 64 CO 0.81 -0.82 1.17 -0.90 -0.00 0.00 0.00 175.17 175.43 3bnv n ASP 65 N -0.18 2.37 -0.61 0.27 5.75 -1.26 -3.71 116.55 119.18 3bnv n ASP 65 Ca -0.04 -2.18 0.07 0.00 -0.01 0.00 0.00 54.79 52.63 3bnv n ASP 65 Cb 0.64 -0.38 0.10 0.00 -1.03 0.00 0.00 41.12 40.45 3bnv n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bnv n GLN 66 N 0.40 1.57 -0.27 0.11 1.13 -1.26 -4.98 117.38 114.08 3bnv n GLN 66 Ca 0.12 -1.60 0.00 0.00 -1.94 0.00 0.00 57.00 53.58 3bnv n GLN 66 Cb 0.45 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.52 3bnv n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3bnv n GLY 67 N 0.73 0.79 3.71 1.08 0.00 -1.24 -4.90 105.19 105.36 3bnv n GLY 67 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3bnv n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bnv s LEU 68 N 0.00 4.36 -0.13 0.99 2.96 -1.26 0.17 118.68 125.77 3bnv s LEU 68 Ca 0.00 2.14 -0.18 0.00 -0.22 0.00 0.00 54.13 55.87 3bnv s LEU 68 Cb 0.00 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 3bnv s LEU 68 CO 0.00 -0.57 0.46 -0.63 -1.32 0.00 0.00 176.35 174.29 3bnv s ILE 69 N 1.24 5.19 0.19 6.68 -1.09 -0.95 0.03 121.20 132.49 3bnv s ILE 69 Ca 0.61 0.91 -0.32 0.00 -2.23 0.00 0.00 60.65 59.62 3bnv s ILE 69 Cb -0.32 -3.80 -0.12 0.00 -1.58 0.00 0.00 42.46 36.63 3bnv s ILE 69 CO 0.29 0.31 1.70 0.33 -1.23 0.00 0.00 174.94 176.34 3bnv n PHE 70 N 3.81 2.63 -0.02 3.97 -0.00 -1.26 -4.61 117.46 121.99 3bnv n PHE 70 Ca -0.07 0.08 0.07 0.00 -0.00 0.00 0.00 57.45 57.53 3bnv n PHE 70 Cb 0.51 -2.65 0.47 0.00 -0.00 0.00 0.00 39.48 37.81 3bnv n PHE 70 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 3bnv h ASP 71 N 6.69 0.40 -0.00 -2.13 3.45 -1.98 -2.33 116.42 120.52 3bnv h ASP 71 Ca -0.44 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3bnv h ASP 71 Cb 1.22 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.89 3bnv h ASP 71 CO 0.94 0.27 0.01 0.00 -1.57 0.00 0.00 179.24 178.90 3bnv h ALA 72 N 1.74 1.17 0.00 3.45 0.00 -1.99 0.16 119.26 123.78 3bnv h ALA 72 Ca 0.19 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3bnv h ALA 72 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3bnv h ALA 72 CO -0.05 -0.02 -0.51 0.74 0.00 0.00 0.00 179.25 179.41 3bnv h PHE 73 N 0.00 0.00 -0.02 0.00 0.04 -1.78 0.52 116.94 115.70 3bnv h PHE 73 Ca 0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.56 3bnv h PHE 73 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3bnv h PHE 73 CO 0.00 0.51 -0.89 0.97 -0.60 0.00 0.00 178.31 178.31 3bnv h ILE 74 N 0.00 1.39 -0.56 -0.55 2.10 -0.87 -1.94 117.51 117.08 3bnv h ILE 74 Ca -0.01 -2.36 0.03 0.00 1.08 0.00 0.00 64.86 63.60 3bnv h ILE 74 Cb 1.00 2.33 -0.04 0.00 -1.09 0.00 0.00 36.82 39.02 3bnv h ILE 74 CO 0.07 0.71 0.34 0.15 -1.08 0.00 0.00 178.15 178.33 3bnv h PHE 75 N 0.25 0.63 -0.38 2.19 3.04 -0.99 -0.41 116.94 121.28 3bnv h PHE 75 Ca -0.07 0.02 0.08 0.00 3.98 0.00 0.00 57.97 61.98 3bnv h PHE 75 Cb 1.51 -0.21 -0.08 0.00 2.56 0.00 0.00 35.95 39.74 3bnv h PHE 75 CO 0.06 0.36 -0.12 0.00 -2.02 0.00 0.00 178.31 176.59 3bnv h ALA 76 N 1.25 0.21 -0.79 2.41 0.00 0.24 0.39 119.26 122.96 3bnv h ALA 76 Ca 0.22 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.29 3bnv h ALA 76 Cb 0.02 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3bnv h ALA 76 CO -0.10 -0.48 0.52 0.00 0.00 0.00 0.00 179.25 179.19 3bnv h ALA 77 N 1.31 1.00 -0.40 0.00 0.00 -0.64 -0.76 119.26 119.78 3bnv h ALA 77 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3bnv h ALA 77 Cb 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3bnv h ALA 77 CO -0.41 0.40 -0.07 0.00 0.00 0.00 0.00 179.25 179.17 3bnv h ALA 78 N 1.29 1.13 -0.59 0.00 0.00 0.01 -1.45 119.26 119.66 3bnv h ALA 78 Ca 0.29 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3bnv h ALA 78 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3bnv h ALA 78 CO -0.07 0.55 -0.03 -0.97 0.00 0.00 0.00 179.25 178.73 3bnv h ASN 79 N 0.63 1.04 -0.08 0.00 -0.73 0.71 -1.14 115.58 116.01 3bnv h ASN 79 Ca 0.12 -0.32 -0.06 0.00 1.87 0.00 0.00 56.30 57.91 3bnv h ASN 79 Cb 0.49 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.80 3bnv h ASN 79 CO 0.03 1.11 -0.17 0.22 -0.37 0.00 0.00 177.43 178.25 3bnv h TYR 80 N 0.95 0.32 -0.16 0.67 -0.00 -0.81 -2.71 116.97 115.22 3bnv h TYR 80 Ca 0.16 -0.12 -0.09 0.00 -0.00 0.00 0.00 58.73 58.69 3bnv h TYR 80 Cb 0.59 -0.06 -0.01 0.00 -0.00 0.00 0.00 36.73 37.25 3bnv h TYR 80 CO 0.04 0.78 -0.28 -0.24 -0.00 0.00 0.00 178.16 178.46 3bnv h VAL 81 N -0.23 1.26 -0.15 1.81 3.04 -1.21 -0.67 116.25 120.09 3bnv h VAL 81 Ca -0.00 -1.22 -0.01 0.00 -1.01 0.00 0.00 66.70 64.46 3bnv h VAL 81 Cb 0.77 1.44 -0.01 0.00 -2.01 0.00 0.00 31.29 31.48 3bnv h VAL 81 CO 0.04 0.37 0.07 0.00 -1.01 0.00 0.00 177.57 177.04 3bnv h ALA 82 N 1.44 0.20 -0.19 3.17 0.00 -1.21 -1.47 119.26 121.20 3bnv h ALA 82 Ca 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3bnv h ALA 82 Cb 0.63 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3bnv h ALA 82 CO 0.05 -0.24 -0.20 1.96 0.00 0.00 0.00 179.25 180.83 3bnv h GLN 83 N 0.12 0.33 0.00 0.00 4.20 -1.09 -1.91 115.11 116.75 3bnv h GLN 83 Ca 0.05 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3bnv h GLN 83 Cb 0.13 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3bnv h GLN 83 CO -0.01 0.52 -0.27 0.00 -0.67 0.00 0.00 178.83 178.40 3bnv h ALA 84 N 1.50 1.46 0.00 3.87 0.00 -0.74 -0.29 119.26 125.05 3bnv h ALA 84 Ca 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3bnv h ALA 84 Cb 0.52 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3bnv h ALA 84 CO 0.03 0.34 -0.15 0.66 0.00 0.00 0.00 179.25 180.13 3bnv h SER 85 N 0.00 0.00 0.10 0.00 4.64 -0.43 -2.99 113.55 114.87 3bnv h SER 85 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.95 3bnv h SER 85 Cb 0.51 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.54 3bnv h SER 85 CO 0.04 0.15 -2.24 -0.38 -0.87 0.00 0.00 176.83 173.52 3bnv n ILE 86 N -3.96 1.53 -3.95 0.95 5.41 -1.01 -2.76 119.36 115.56 3bnv n ILE 86 Ca -0.02 -0.71 -0.26 0.00 1.00 0.00 0.00 62.75 62.76 3bnv n ILE 86 Cb 0.24 -1.11 -0.02 0.00 -0.71 0.00 0.00 39.64 38.04 3bnv n ILE 86 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3bnv n ASN 87 N -3.10 -0.36 -4.90 4.38 5.15 -0.15 -4.93 115.26 111.35 3bnv n ASN 87 Ca -0.35 -1.01 -0.33 0.00 -0.60 0.00 0.00 54.58 52.29 3bnv n ASN 87 Cb 1.06 -3.03 -0.05 0.00 -0.53 0.00 0.00 39.78 37.24 3bnv n ASN 87 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3bnv s LYS 88 N -6.56 3.54 0.24 1.20 -0.14 -1.26 -4.54 119.74 112.22 3bnv s LYS 88 Ca 0.01 -0.18 -0.05 0.00 -1.36 0.00 0.00 55.97 54.38 3bnv s LYS 88 Cb -0.00 -3.03 0.26 0.00 -1.68 0.00 0.00 37.83 33.38 3bnv s LYS 88 CO 0.89 0.61 1.83 1.49 -0.76 0.00 0.00 175.35 179.41 3bnv h GLU 89 N 3.56 1.11 -4.53 1.68 4.81 -1.93 -3.25 114.58 116.04 3bnv h GLU 89 Ca -0.48 -0.17 -0.65 0.00 -0.13 0.00 0.00 59.36 57.93 3bnv h GLU 89 Cb 1.18 -0.20 -0.40 0.00 0.63 0.00 0.00 28.75 29.97 3bnv h GLU 89 CO 0.70 0.88 -0.74 -0.06 -0.73 0.00 0.00 179.01 179.05 3bnv s PHE 90 N -5.58 3.33 0.10 0.92 0.40 -1.26 -4.67 117.98 111.23 3bnv s PHE 90 Ca -0.12 -2.67 -0.07 0.00 -0.60 0.00 0.00 56.93 53.47 3bnv s PHE 90 Cb 0.16 -2.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.12 3bnv s PHE 90 CO 0.82 -0.92 0.18 -1.54 0.70 0.00 0.00 175.22 174.46 3bnv s SER 91 N 1.06 0.15 0.15 1.36 1.04 -1.26 -1.42 113.70 114.77 3bnv s SER 91 Ca 0.08 -0.78 -0.12 0.00 0.48 0.00 0.00 55.95 55.61 3bnv s SER 91 Cb -0.19 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.29 3bnv s SER 91 CO -0.10 -0.75 0.34 0.54 0.98 0.00 0.00 173.24 174.24 3bnv s VAL 92 N -3.90 0.08 -0.05 5.02 0.11 -0.41 -5.00 120.40 116.25 3bnv s VAL 92 Ca 0.09 -1.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.07 3bnv s VAL 92 Cb 0.05 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.33 3bnv s VAL 92 CO -0.08 -0.34 0.14 0.27 -3.33 0.00 0.00 175.10 171.76 3bnv s ILE 93 N -3.89 5.26 0.00 7.04 -4.36 -1.26 -0.95 121.20 123.04 3bnv s ILE 93 Ca 0.10 -0.10 0.00 0.00 -0.26 0.00 0.00 60.65 60.38 3bnv s ILE 93 Cb 0.02 -3.39 0.00 0.00 1.25 0.00 0.00 42.46 40.35 3bnv s ILE 93 CO -0.06 0.43 0.42 2.30 0.24 0.00 0.00 174.94 178.28 3bnv n ILE 94 N 1.36 0.00 -3.58 8.37 -5.35 -0.47 -4.95 119.36 114.74 3bnv n ILE 94 Ca -0.14 -0.47 -0.07 0.00 -0.27 0.00 0.00 62.75 61.80 3bnv n ILE 94 Cb 0.53 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 39.46 3bnv n ILE 94 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3bnv s GLY 95 N -0.09 -0.27 0.06 3.28 0.00 -1.25 -5.00 107.32 104.06 3bnv s GLY 95 Ca 0.00 1.77 -0.19 0.00 0.00 0.00 0.00 44.72 46.29 3bnv s GLY 95 CO 0.00 0.71 0.45 -1.35 0.00 0.00 0.00 173.10 172.91 3bnv s SER 96 N -1.79 -0.34 -0.19 1.64 1.04 -1.26 -0.91 113.70 111.89 3bnv s SER 96 Ca 0.05 0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.47 3bnv s SER 96 Cb -0.01 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.63 3bnv s SER 96 CO -0.04 -0.73 0.02 -0.75 0.98 0.00 0.00 173.24 172.72 3bnv s LYS 97 N -2.74 0.76 0.11 4.02 2.20 -0.38 -5.01 119.74 118.71 3bnv s LYS 97 Ca -0.04 -0.44 0.09 0.00 -0.36 0.00 0.00 55.97 55.22 3bnv s LYS 97 Cb -0.00 -2.08 -0.04 0.00 -1.51 0.00 0.00 37.83 34.20 3bnv s LYS 97 CO -0.04 -0.61 -0.23 0.00 -0.36 0.00 0.00 175.35 174.11 3bnv s PHE 99 N -1.13 2.51 -0.39 0.00 0.08 0.13 -4.99 117.98 114.19 3bnv s PHE 99 Ca 0.09 -1.09 -0.05 0.00 0.12 0.00 0.00 56.93 56.00 3bnv s PHE 99 Cb -0.10 -1.69 0.09 0.00 -0.57 0.00 0.00 43.02 40.75 3bnv s PHE 99 CO 0.05 -0.46 0.19 -0.06 -0.10 0.00 0.00 175.22 174.84 3bnv s PHE 100 N 0.49 3.43 0.11 0.36 0.40 -1.26 -1.53 117.98 119.98 3bnv s PHE 100 Ca -0.15 -1.98 0.12 0.00 -0.60 0.00 0.00 56.93 54.32 3bnv s PHE 100 Cb -0.17 -2.92 0.15 0.00 0.51 0.00 0.00 43.02 40.59 3bnv s PHE 100 CO 0.06 -0.90 1.48 1.88 0.70 0.00 0.00 175.22 178.44 3bnv h TYR 101 N 8.18 0.00 -2.18 0.36 0.05 -1.94 -3.46 116.97 117.98 3bnv h TYR 101 Ca -0.18 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.53 3bnv h TYR 101 Cb 1.06 0.00 -0.20 0.00 1.01 0.00 0.00 36.73 38.60 3bnv h TYR 101 CO 0.59 0.69 0.09 0.00 -1.05 0.00 0.00 178.16 178.48 3bnv s ALA 102 N -3.15 -1.60 0.34 3.88 0.00 -1.26 -5.06 121.76 114.92 3bnv s ALA 102 Ca 0.01 1.37 -0.23 0.00 0.00 0.00 0.00 51.96 53.11 3bnv s ALA 102 Cb 0.10 -0.34 -0.10 0.00 0.00 0.00 0.00 23.12 22.78 3bnv s ALA 102 CO 0.77 -0.34 0.90 -1.25 0.00 0.00 0.00 175.76 175.84 3bnv s PRO 103 N -0.70 4.37 0.64 0.00 0.04 -1.26 -4.86 135.00 133.23 3bnv s PRO 103 Ca -0.08 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 61.95 3bnv s PRO 103 Cb -0.02 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 3bnv s PRO 103 CO 0.06 0.19 1.08 -0.51 0.04 0.00 0.00 177.00 177.86 3bnv s LEU 104 N -2.48 3.41 -0.01 -3.56 1.02 -1.26 -4.97 118.68 110.83 3bnv s LEU 104 Ca 0.53 1.88 0.07 0.00 0.02 0.00 0.00 54.13 56.63 3bnv s LEU 104 Cb -0.15 -4.54 -0.02 0.00 0.02 0.00 0.00 46.19 41.50 3bnv s LEU 104 CO 0.19 -1.42 -0.22 -0.75 0.02 0.00 0.00 176.35 174.18 3bnv s LYS 105 N -4.18 2.17 0.17 1.70 2.20 -1.26 -2.24 119.74 118.30 3bnv s LYS 105 Ca 0.65 -0.90 -0.34 0.00 -0.36 0.00 0.00 55.97 55.02 3bnv s LYS 105 Cb -0.18 -2.14 -0.14 0.00 -1.51 0.00 0.00 37.83 33.86 3bnv s LYS 105 CO 0.41 0.57 1.48 -0.11 -0.36 0.00 0.00 175.35 177.34 3bnv n LEU 106 N 2.20 2.83 0.00 5.43 7.94 0.13 -0.99 117.00 134.54 3bnv n LEU 106 Ca -0.16 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.84 3bnv n LEU 106 Cb 0.52 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.08 3bnv n LEU 106 CO 0.24 -0.49 0.00 0.61 -1.11 0.00 0.00 177.39 176.64 3bnv n GLY 107 N 2.91 2.96 3.77 -3.96 0.00 -1.26 -5.06 105.19 104.55 3bnv n GLY 107 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3bnv n GLY 107 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bnv s ASP 108 N -1.00 6.43 -0.16 1.61 1.01 -0.16 -4.87 116.67 119.52 3bnv s ASP 108 Ca 0.00 2.49 -0.03 0.00 0.71 0.00 0.00 52.55 55.71 3bnv s ASP 108 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 3bnv s ASP 108 CO 0.00 -0.75 -0.05 0.54 0.21 0.00 0.00 175.17 175.12 3bnv s VAL 109 N -1.34 3.69 -0.15 -1.27 0.11 -1.26 -2.37 120.40 117.82 3bnv s VAL 109 Ca 0.57 -0.42 -0.17 0.00 -2.93 0.00 0.00 61.98 59.03 3bnv s VAL 109 Cb -0.34 -2.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 3bnv s VAL 109 CO 0.43 0.48 0.43 -0.22 -3.33 0.00 0.00 175.10 172.90 3bnv s LEU 110 N 0.54 4.24 -0.24 2.54 2.96 0.24 -4.40 118.68 124.56 3bnv s LEU 110 Ca -0.04 0.70 -0.07 0.00 -0.22 0.00 0.00 54.13 54.50 3bnv s LEU 110 Cb -0.15 -2.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 3bnv s LEU 110 CO 0.03 -0.01 0.05 -1.61 -1.32 0.00 0.00 176.35 173.49 3bnv s GLU 111 N 0.77 3.62 0.03 1.98 2.02 0.11 -0.53 118.70 126.70 3bnv s GLU 111 Ca 0.23 -0.50 0.06 0.00 0.02 0.00 0.00 54.97 54.78 3bnv s GLU 111 Cb -0.15 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 3bnv s GLU 111 CO 0.09 -0.16 -0.15 -0.51 0.02 0.00 0.00 175.26 174.55 3bnv s LEU 112 N 1.50 2.76 -0.02 1.80 1.43 -0.11 -0.41 118.68 125.62 3bnv s LEU 112 Ca 0.06 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3bnv s LEU 112 Cb -0.15 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3bnv s LEU 112 CO 0.02 0.26 -0.09 -0.70 0.23 0.00 0.00 176.35 176.07 3bnv s GLU 113 N -1.42 0.96 -0.08 1.70 2.12 -0.56 -1.11 118.70 120.32 3bnv s GLU 113 Ca 0.15 -0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.19 3bnv s GLU 113 Cb -0.11 -0.90 0.01 0.00 0.26 0.00 0.00 34.13 33.39 3bnv s GLU 113 CO 0.06 0.13 -0.14 0.00 -0.54 0.00 0.00 175.26 174.77 3bnv s ALA 114 N 0.13 1.45 -0.10 6.30 0.00 0.44 -1.57 121.76 128.40 3bnv s ALA 114 Ca -0.02 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.43 3bnv s ALA 114 Cb -0.08 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.41 3bnv s ALA 114 CO 0.00 0.11 -0.17 -1.01 0.00 0.00 0.00 175.76 174.69 3bnv s HIS 115 N 0.68 2.02 -0.12 0.00 3.76 0.04 -2.18 115.29 119.49 3bnv s HIS 115 Ca -0.14 -0.90 -0.18 0.00 -0.15 0.00 0.00 55.06 53.69 3bnv s HIS 115 Cb -0.16 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 3bnv s HIS 115 CO 0.04 -0.43 0.46 0.00 -0.85 0.00 0.00 174.74 173.95 3bnv s ALA 116 N 0.79 3.49 0.20 -1.40 0.00 0.05 -0.65 121.76 124.24 3bnv s ALA 116 Ca -0.11 -0.21 -0.31 0.00 0.00 0.00 0.00 51.96 51.33 3bnv s ALA 116 Cb -0.16 -2.62 -0.11 0.00 0.00 0.00 0.00 23.12 20.23 3bnv s ALA 116 CO 0.01 0.02 1.61 -0.51 0.00 0.00 0.00 175.76 176.90 3bnv s LEU 117 N 0.57 4.37 -0.68 0.00 1.02 0.15 -4.79 118.68 119.31 3bnv s LEU 117 Ca 0.25 2.74 -0.26 0.00 0.02 0.00 0.00 54.13 56.88 3bnv s LEU 117 Cb -0.15 -3.60 -0.09 0.00 0.02 0.00 0.00 46.19 42.37 3bnv s LEU 117 CO 0.10 -0.88 2.29 0.12 0.02 0.00 0.00 176.35 178.01 3bnv s PHE 118 N 0.96 1.25 -0.13 0.29 2.19 -1.26 -4.68 117.98 116.60 3bnv s PHE 118 Ca 0.70 1.55 -0.00 0.00 0.33 0.00 0.00 56.93 59.51 3bnv s PHE 118 Cb -0.46 -3.63 0.03 0.00 -1.31 0.00 0.00 43.02 37.65 3bnv s PHE 118 CO 0.34 -2.01 -0.08 0.34 1.83 0.00 0.00 175.22 175.64 3bnv s ASP 119 N 10.71 2.40 0.09 6.13 -1.08 -1.26 -5.02 116.67 128.64 3bnv s ASP 119 Ca 0.89 -0.41 0.15 0.00 -0.52 0.00 0.00 52.55 52.66 3bnv s ASP 119 Cb -0.14 -0.91 -0.13 0.00 -1.46 0.00 0.00 42.92 40.29 3bnv s ASP 119 CO 0.15 -0.12 0.95 -0.08 0.52 0.00 0.00 175.17 176.58 3bnv h GLU 120 N 8.14 0.00 0.08 4.34 4.57 -2.00 -3.39 114.58 126.32 3bnv h GLU 120 Ca -0.30 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.68 3bnv h GLU 120 Cb 1.13 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 3bnv h GLU 120 CO 0.43 0.43 -0.99 1.15 -1.18 0.00 0.00 179.01 178.84 3bnv h THR 121 N 0.00 1.27 -3.76 0.32 2.02 -2.00 -3.49 112.91 107.26 3bnv h THR 121 Ca -0.14 -2.39 -0.49 0.00 0.77 0.00 0.00 66.41 64.16 3bnv h THR 121 Cb 1.65 2.88 -0.02 0.00 -1.74 0.00 0.00 68.15 70.91 3bnv h THR 121 CO 0.06 0.63 0.26 -0.55 0.37 0.00 0.00 175.52 176.29 3bnv s SER 122 N -6.84 7.26 0.33 4.18 0.15 -1.26 -4.96 113.70 112.55 3bnv s SER 122 Ca -0.20 1.69 0.21 0.00 0.70 0.00 0.00 55.95 58.36 3bnv s SER 122 Cb 0.02 -2.52 0.18 0.00 -1.71 0.00 0.00 66.02 61.99 3bnv s SER 122 CO 0.74 -0.02 1.39 0.11 1.20 0.00 0.00 173.24 176.66 3bnv h LYS 123 N 3.33 0.00 -5.53 5.44 1.57 -1.94 -3.43 116.57 116.00 3bnv h LYS 123 Ca -0.47 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.71 3bnv h LYS 123 Cb 1.19 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.39 3bnv h LYS 123 CO 0.65 0.11 0.01 0.21 -0.57 0.00 0.00 179.45 179.87 3bnv s LYS 124 N -3.18 4.17 0.03 3.15 2.47 -1.26 -2.00 119.74 123.12 3bnv s LYS 124 Ca 0.04 0.45 0.03 0.00 -1.56 0.00 0.00 55.97 54.92 3bnv s LYS 124 Cb 0.07 -3.59 -0.02 0.00 -1.46 0.00 0.00 37.83 32.83 3bnv s LYS 124 CO 0.72 -0.22 -0.08 1.03 0.16 0.00 0.00 175.35 176.96 3bnv s ARG 125 N 1.88 0.57 -0.21 4.03 0.52 0.78 -5.00 118.95 121.53 3bnv s ARG 125 Ca 0.25 -0.59 -0.09 0.00 -0.52 0.00 0.00 55.73 54.77 3bnv s ARG 125 Cb -0.16 -0.44 -0.05 0.00 0.52 0.00 0.00 34.95 34.83 3bnv s ARG 125 CO 0.10 0.10 0.12 -0.51 0.02 0.00 0.00 175.30 175.12 3bnv s ASP 126 N -1.09 5.98 -0.11 0.23 1.01 -1.26 -0.64 116.67 120.79 3bnv s ASP 126 Ca -0.04 0.14 0.03 0.00 0.71 0.00 0.00 52.55 53.38 3bnv s ASP 126 Cb -0.07 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.81 3bnv s ASP 126 CO 0.00 0.14 -0.21 -0.69 0.21 0.00 0.00 175.17 174.62 3bnv s VAL 127 N 0.60 1.93 -0.20 -1.27 1.01 0.24 -0.68 120.40 122.03 3bnv s VAL 127 Ca 0.06 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 3bnv s VAL 127 Cb -0.12 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 3bnv s VAL 127 CO 0.01 0.53 0.52 -0.54 0.00 0.00 0.00 175.10 175.61 3bnv s LYS 128 N 0.61 4.18 -0.01 2.72 1.02 0.18 -0.71 119.74 127.74 3bnv s LYS 128 Ca -0.13 0.41 0.06 0.00 0.02 0.00 0.00 55.97 56.33 3bnv s LYS 128 Cb -0.17 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 3bnv s LYS 128 CO 0.03 -0.17 -0.19 0.08 -0.92 0.00 0.00 175.35 174.18 3bnv s VAL 129 N 1.69 2.64 -0.00 3.17 1.01 0.84 -0.78 120.40 128.98 3bnv s VAL 129 Ca 0.24 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3bnv s VAL 129 Cb -0.15 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3bnv s VAL 129 CO 0.09 0.49 -0.06 0.54 0.00 0.00 0.00 175.10 176.17 3bnv s VAL 130 N -0.77 0.43 -0.04 2.92 0.11 -0.61 -0.93 120.40 121.52 3bnv s VAL 130 Ca 0.12 -0.30 0.06 0.00 -2.93 0.00 0.00 61.98 58.93 3bnv s VAL 130 Cb -0.10 -0.38 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 3bnv s VAL 130 CO 0.02 0.08 -0.23 -0.83 -3.33 0.00 0.00 175.10 170.80 3bnv s GLY 131 N -0.25 1.17 0.10 6.54 0.00 0.28 -1.49 107.32 113.66 3bnv s GLY 131 Ca 0.01 -0.97 0.09 0.00 0.00 0.00 0.00 44.72 43.85 3bnv s GLY 131 CO -0.00 -0.67 -0.22 0.30 0.00 0.00 0.00 173.10 172.51 3bnv s HIS 132 N -0.28 1.92 -0.27 1.90 3.76 0.45 -2.85 115.29 119.91 3bnv s HIS 132 Ca 0.01 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 3bnv s HIS 132 Cb -0.11 -1.06 0.05 0.00 1.11 0.00 0.00 32.58 32.56 3bnv s HIS 132 CO 0.02 0.22 -0.06 0.08 -0.85 0.00 0.00 174.74 174.14 3bnv s VAL 133 N -1.09 2.64 0.00 -0.90 1.01 -0.52 0.04 120.40 121.57 3bnv s VAL 133 Ca 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.70 3bnv s VAL 133 Cb -0.10 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3bnv s VAL 133 CO 0.04 0.03 0.00 0.29 0.00 0.00 0.00 175.10 175.46 3bnv n LYS 134 N 4.57 0.00 -0.29 2.72 5.02 -1.26 -1.76 118.16 127.16 3bnv n LYS 134 Ca -0.15 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.26 3bnv n LYS 134 Cb 0.44 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.72 3bnv n LYS 134 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3bnv n GLU 135 N 14.00 2.62 -3.63 1.97 0.00 -1.26 -4.90 120.64 129.45 3bnv n GLU 135 Ca 0.00 -2.47 -0.37 0.00 0.00 0.00 0.00 57.16 54.32 3bnv n GLU 135 Cb 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 31.44 29.81 3bnv n GLU 135 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3bnv s ILE 136 N -1.18 5.32 0.64 3.84 1.01 -0.72 -5.10 121.20 125.00 3bnv s ILE 136 Ca 0.43 0.17 -0.16 0.00 0.00 0.00 0.00 60.65 61.09 3bnv s ILE 136 Cb 0.24 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 3bnv s ILE 136 CO 0.32 0.30 1.13 -0.75 0.00 0.00 0.00 174.94 175.93 3bnv s LYS 137 N 1.41 2.86 0.12 2.79 2.20 -1.26 -1.44 119.74 126.41 3bnv s LYS 137 Ca 0.07 1.49 -0.13 0.00 -0.36 0.00 0.00 55.97 57.04 3bnv s LYS 137 Cb -0.15 -1.95 -0.08 0.00 -1.51 0.00 0.00 37.83 34.14 3bnv s LYS 137 CO 0.08 -1.22 0.22 0.34 -0.36 0.00 0.00 175.35 174.41 3bnv n PHE 139 N -2.18 -0.40 -3.81 4.03 7.35 -1.13 -4.85 117.46 116.47 3bnv n PHE 139 Ca 0.11 0.45 -0.13 0.00 -0.76 0.00 0.00 57.45 57.12 3bnv n PHE 139 Cb 0.51 -0.96 -0.14 0.00 0.35 0.00 0.00 39.48 39.25 3bnv n PHE 139 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3bnv s GLU 140 N -0.50 0.08 0.00 -4.13 2.12 -0.58 -0.56 118.70 115.13 3bnv s GLU 140 Ca 0.31 0.18 -0.28 0.00 0.36 0.00 0.00 54.97 55.55 3bnv s GLU 140 Cb -0.44 -0.04 0.08 0.00 0.26 0.00 0.00 34.13 33.99 3bnv s GLU 140 CO 0.29 -0.07 0.72 0.20 -0.54 0.00 0.00 175.26 175.85 3bnv s GLY 141 N 0.43 -0.54 -0.13 -1.50 0.00 -0.11 0.23 107.32 105.69 3bnv s GLY 141 Ca -0.03 1.13 -0.01 0.00 0.00 0.00 0.00 44.72 45.81 3bnv s GLY 141 CO -0.02 0.67 -0.10 -1.59 0.00 0.00 0.00 173.10 172.06 3bnv s THR 142 N -2.12 3.29 -0.06 0.90 2.01 -0.33 -0.11 115.64 119.23 3bnv s THR 142 Ca -0.05 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.42 3bnv s THR 142 Cb -0.00 -2.40 -0.00 0.00 0.01 0.00 0.00 72.50 70.11 3bnv s THR 142 CO 0.00 0.52 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.64 3bnv s ILE 143 N 0.27 1.56 -0.32 1.82 1.01 0.11 -1.24 121.20 124.41 3bnv s ILE 143 Ca -0.08 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 3bnv s ILE 143 Cb -0.15 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 3bnv s ILE 143 CO 0.05 0.45 0.25 -1.10 0.00 0.00 0.00 174.94 174.58 3bnv s GLN 144 N 0.14 3.68 -0.14 2.79 -0.21 -0.09 -0.59 119.66 125.23 3bnv s GLN 144 Ca -0.07 -0.47 -0.06 0.00 0.02 0.00 0.00 55.36 54.78 3bnv s GLN 144 Cb -0.13 -3.75 -0.04 0.00 1.00 0.00 0.00 33.01 30.09 3bnv s GLN 144 CO 0.03 -0.36 0.09 0.08 -2.12 0.00 0.00 175.29 173.01 3bnv s VAL 145 N 1.80 5.04 0.01 1.09 1.01 0.19 -1.37 120.40 128.16 3bnv s VAL 145 Ca 0.08 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.15 3bnv s VAL 145 Cb -0.17 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 3bnv s VAL 145 CO 0.11 0.55 -0.16 0.54 0.00 0.00 0.00 175.10 176.14 3bnv s VAL 146 N -0.47 1.31 0.41 2.92 0.11 -0.13 -0.15 120.40 124.39 3bnv s VAL 146 Ca 0.11 -0.83 0.07 0.00 -2.93 0.00 0.00 61.98 58.40 3bnv s VAL 146 Cb -0.12 -1.11 -0.08 0.00 -1.53 0.00 0.00 36.38 33.54 3bnv s VAL 146 CO 0.02 0.27 0.03 -0.94 -3.33 0.00 0.00 175.10 171.14 3bnv s SER 147 N -0.66 3.95 -0.07 3.54 1.04 -0.84 -1.29 113.70 119.37 3bnv s SER 147 Ca 0.06 -1.32 -0.05 0.00 0.48 0.00 0.00 55.95 55.12 3bnv s SER 147 Cb -0.07 -0.41 0.03 0.00 0.10 0.00 0.00 66.02 65.67 3bnv s SER 147 CO 0.00 -0.45 0.17 0.28 0.98 0.00 0.00 173.24 174.22 3bnv s THR 148 N -2.69 -0.02 0.39 2.02 -1.32 -0.51 -4.87 115.64 108.63 3bnv s THR 148 Ca 0.36 0.08 0.14 0.00 -1.21 0.00 0.00 61.69 61.06 3bnv s THR 148 Cb 0.09 -0.26 0.36 0.00 -1.51 0.00 0.00 72.50 71.17 3bnv s THR 148 CO 0.19 0.03 1.84 0.44 -2.21 0.00 0.00 174.62 174.91 3bnv h ASP 149 N 6.51 0.51 -4.84 8.08 3.32 -2.01 -3.41 116.42 124.57 3bnv h ASP 149 Ca -0.33 0.05 -0.23 0.00 0.02 0.00 0.00 57.03 56.54 3bnv h ASP 149 Cb 1.17 -0.04 -0.20 0.00 0.22 0.00 0.00 39.33 40.48 3bnv h ASP 149 CO 0.41 0.21 -0.72 -1.61 -1.72 0.00 0.00 179.24 175.81 3bnv s GLU 150 N -5.54 0.48 0.16 3.56 2.02 -1.26 -4.98 118.70 113.15 3bnv s GLU 150 Ca -0.09 -0.77 -0.32 0.00 0.02 0.00 0.00 54.97 53.80 3bnv s GLU 150 Cb 0.23 -0.13 -0.17 0.00 0.10 0.00 0.00 34.13 34.16 3bnv s GLU 150 CO 0.79 0.01 0.97 1.58 0.02 0.00 0.00 175.26 178.62 3bnv n HIS 151 N 1.33 0.73 0.30 1.61 -0.00 -1.26 -4.75 115.22 113.18 3bnv n HIS 151 Ca -0.22 0.82 0.04 0.00 -0.00 0.00 0.00 57.72 58.36 3bnv n HIS 151 Cb 0.55 -2.16 0.17 0.00 -0.00 0.00 0.00 29.99 28.56 3bnv n HIS 151 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 3bnv n ILE 152 N 0.98 1.29 1.00 3.57 3.06 -1.26 -1.74 119.36 126.26 3bnv n ILE 152 Ca 0.16 0.32 0.06 0.00 -2.50 0.00 0.00 62.75 60.79 3bnv n ILE 152 Cb 0.22 -1.19 0.17 0.00 0.54 0.00 0.00 39.64 39.39 3bnv n ILE 152 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 3bnv n PHE 153 N -1.44 0.41 1.90 9.51 0.99 -1.26 -5.23 117.46 122.34 3bnv n PHE 153 Ca 0.02 -0.20 0.15 0.00 -0.00 0.00 0.00 57.45 57.42 3bnv n PHE 153 Cb 0.08 0.00 0.90 0.00 -1.00 0.00 0.00 39.48 39.46 3bnv n PHE 153 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39