#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbi n SER 22 N 0.00 1.22 0.18 6.43 7.64 -1.26 -4.96 113.62 122.87 1rbi n SER 22 Ca 0.00 -0.35 0.14 0.00 1.01 0.00 0.00 58.87 59.67 1rbi n SER 22 Cb 0.00 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 63.76 1rbi n SER 22 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1rbi h SER 23 N 0.00 0.00 -4.29 6.43 0.02 -2.01 -2.87 113.55 110.83 1rbi h SER 23 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1rbi h SER 23 Cb 0.00 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.67 1rbi h SER 23 CO 0.00 0.00 0.32 0.54 -1.14 0.00 0.00 176.83 176.55 1rbi s ASN 24 N -4.70 4.47 0.20 3.07 2.20 -1.26 -4.78 114.94 114.15 1rbi s ASN 24 Ca 0.03 1.77 -0.13 0.00 -0.94 0.00 0.00 52.86 53.59 1rbi s ASN 24 Cb 0.09 -2.48 0.23 0.00 -2.00 0.00 0.00 41.25 37.10 1rbi s ASN 24 CO 0.44 -2.05 1.65 0.22 -2.94 0.00 0.00 177.10 174.42 1rbi h TYR 25 N -1.14 -0.18 -0.55 1.54 3.20 -1.98 -1.19 116.97 116.68 1rbi h TYR 25 Ca -0.44 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.40 1rbi h TYR 25 Cb 1.23 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 1rbi h TYR 25 CO 0.56 -0.21 0.05 0.00 -1.64 0.00 0.00 178.16 176.93 1rbi h ASN 27 N 0.82 1.00 0.20 0.00 2.35 -1.65 0.23 115.58 118.52 1rbi h ASN 27 Ca 0.16 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1rbi h ASN 27 Cb 0.47 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1rbi h ASN 27 CO 0.02 0.83 -0.09 1.56 -1.65 0.00 0.00 177.43 178.09 1rbi h GLN 28 N 1.10 -0.25 -0.11 0.81 4.20 -0.81 -2.93 115.11 117.12 1rbi h GLN 28 Ca 0.27 0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.90 1rbi h GLN 28 Cb 0.07 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1rbi h GLN 28 CO -0.04 0.11 -0.41 0.52 -0.67 0.00 0.00 178.83 178.33 1rbi h MET 29 N -0.67 0.24 -0.19 1.46 2.86 -0.57 -0.30 114.93 117.76 1rbi h MET 29 Ca -0.03 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.40 1rbi h MET 29 Cb 0.48 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1rbi h MET 29 CO 0.04 0.62 -0.31 0.52 1.06 0.00 0.00 176.91 178.84 1rbi h MET 30 N 0.20 0.37 0.03 1.72 2.86 -1.04 0.30 114.93 119.38 1rbi h MET 30 Ca 0.02 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1rbi h MET 30 Cb 0.81 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1rbi h MET 30 CO 0.06 0.64 -0.02 -0.22 1.06 0.00 0.00 176.91 178.44 1rbi h LYS 31 N 0.32 -0.04 -0.79 1.72 3.64 -1.28 0.16 116.57 120.30 1rbi h LYS 31 Ca 0.04 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1rbi h LYS 31 Cb 0.71 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.48 1rbi h LYS 31 CO 0.05 0.63 0.52 0.66 -2.27 0.00 0.00 179.45 179.04 1rbi h SER 32 N -0.79 0.72 -0.28 4.20 4.64 -0.88 -0.05 113.55 121.11 1rbi h SER 32 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rbi h SER 32 Cb 0.69 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1rbi h SER 32 CO 0.01 0.45 0.00 0.54 -0.87 0.00 0.00 176.83 176.96 1rbi n ARG 33 N -4.49 2.21 -3.33 4.77 5.12 0.08 -4.89 116.66 116.14 1rbi n ARG 33 Ca 0.12 -1.24 -0.21 0.00 -1.93 0.00 0.00 57.85 54.60 1rbi n ARG 33 Cb 0.26 -1.55 0.06 0.00 -1.16 0.00 0.00 32.46 30.07 1rbi n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1rbi n ASN 34 N 0.34 -5.80 -0.09 0.55 4.05 -0.03 -4.91 115.26 109.37 1rbi n ASN 34 Ca 0.11 -0.42 -0.13 0.00 0.45 0.00 0.00 54.58 54.60 1rbi n ASN 34 Cb 0.47 -4.47 -0.15 0.00 1.23 0.00 0.00 39.78 36.86 1rbi n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1rbi n LEU 35 N -4.24 1.09 -0.38 1.20 4.32 0.50 -4.57 117.00 114.91 1rbi n LEU 35 Ca -0.02 0.05 0.08 0.00 -0.02 0.00 0.00 56.01 56.10 1rbi n LEU 35 Cb 0.57 -0.03 0.18 0.00 -1.62 0.00 0.00 43.42 42.51 1rbi n LEU 35 CO 0.53 0.62 0.48 0.35 -1.22 0.00 0.00 177.39 178.15 1rbi n THR 36 N -2.98 2.07 0.11 -5.08 -2.24 -0.85 -4.38 114.28 100.93 1rbi n THR 36 Ca -0.33 -2.72 -0.02 0.00 -2.27 0.00 0.00 64.05 58.70 1rbi n THR 36 Cb 1.09 -0.24 0.02 0.00 -2.10 0.00 0.00 70.33 69.10 1rbi n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1rbi h LYS 37 N 0.55 0.00 0.00 -0.78 1.57 -1.81 -3.37 116.57 112.73 1rbi h LYS 37 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1rbi h LYS 37 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1rbi h LYS 37 CO 0.02 0.74 -0.09 -0.40 -0.57 0.00 0.00 179.45 179.16 1rbi n ASP 38 N -3.43 1.42 -3.63 0.86 5.68 -1.26 -5.07 116.55 111.13 1rbi n ASP 38 Ca 0.00 -2.19 -0.01 0.00 -0.50 0.00 0.00 54.79 52.10 1rbi n ASP 38 Cb 0.78 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1rbi n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rbi s ARG 39 N -1.27 0.81 -0.25 0.11 3.03 -1.26 -5.12 118.95 115.00 1rbi s ARG 39 Ca 0.11 -0.48 -0.06 0.00 2.03 0.00 0.00 55.73 57.33 1rbi s ARG 39 Cb 0.09 0.25 -0.01 0.00 -1.03 0.00 0.00 34.95 34.26 1rbi s ARG 39 CO 0.01 -0.37 0.03 0.00 -1.13 0.00 0.00 175.30 173.83 1rbi s LYS 41 N 1.52 4.55 0.15 0.00 2.20 -1.26 -4.98 119.74 121.92 1rbi s LYS 41 Ca 0.05 1.28 -0.15 0.00 -0.36 0.00 0.00 55.97 56.78 1rbi s LYS 41 Cb -0.15 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.75 1rbi s LYS 41 CO 0.00 0.04 1.76 -1.35 -0.36 0.00 0.00 175.35 175.45 1rbi h PRO 42 N 6.50 0.62 -3.55 4.03 0.11 -1.98 -3.43 132.00 134.30 1rbi h PRO 42 Ca -0.42 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 1rbi h PRO 42 Cb 1.21 -0.12 -0.22 0.00 0.11 0.00 0.00 31.00 31.98 1rbi h PRO 42 CO 0.74 0.49 -0.54 0.14 -0.21 0.00 0.00 178.00 178.62 1rbi s VAL 43 N -5.87 0.06 -0.11 3.15 -7.23 -1.26 -0.99 120.40 108.15 1rbi s VAL 43 Ca -0.13 -0.53 -0.21 0.00 -1.81 0.00 0.00 61.98 59.30 1rbi s VAL 43 Cb 0.11 -0.34 0.05 0.00 0.56 0.00 0.00 36.38 36.76 1rbi s VAL 43 CO 0.74 -0.29 0.52 0.21 -0.31 0.00 0.00 175.10 175.97 1rbi s ASN 44 N -0.99 -0.49 -0.08 4.85 2.47 -0.44 -5.01 114.94 115.25 1rbi s ASN 44 Ca -0.11 0.72 0.03 0.00 0.42 0.00 0.00 52.86 53.93 1rbi s ASN 44 Cb -0.06 0.74 -0.02 0.00 -1.45 0.00 0.00 41.25 40.46 1rbi s ASN 44 CO 0.01 -0.37 -0.19 -0.89 -3.72 0.00 0.00 177.10 171.94 1rbi s THR 45 N -0.55 2.62 -0.10 -5.21 2.01 -1.26 -1.03 115.64 112.12 1rbi s THR 45 Ca -0.07 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 1rbi s THR 45 Cb -0.03 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1rbi s THR 45 CO 0.04 0.56 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.11 1rbi s PHE 46 N -0.13 2.96 -0.17 4.92 0.08 -0.37 -4.98 117.98 120.30 1rbi s PHE 46 Ca -0.03 -0.12 -0.05 0.00 0.12 0.00 0.00 56.93 56.86 1rbi s PHE 46 Cb -0.14 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 1rbi s PHE 46 CO 0.04 0.19 -0.01 0.54 -0.10 0.00 0.00 175.22 175.88 1rbi s VAL 47 N -0.38 4.12 -1.04 -0.44 0.11 -1.26 -0.76 120.40 120.74 1rbi s VAL 47 Ca 0.06 -0.27 -0.03 0.00 -2.93 0.00 0.00 61.98 58.80 1rbi s VAL 47 Cb -0.12 -2.83 0.30 0.00 -1.53 0.00 0.00 36.38 32.21 1rbi s VAL 47 CO 0.02 0.48 1.42 1.41 -3.33 0.00 0.00 175.10 175.10 1rbi n HIS 48 N 3.61 2.38 -3.98 1.54 -0.00 0.48 -4.94 115.22 114.31 1rbi n HIS 48 Ca -0.17 -2.72 -0.08 0.00 -0.00 0.00 0.00 57.72 54.75 1rbi n HIS 48 Cb 0.52 -1.20 -0.08 0.00 -0.00 0.00 0.00 29.99 29.23 1rbi n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1rbi s GLU 49 N -2.77 0.84 0.58 -0.41 0.41 -1.26 -4.50 118.70 111.58 1rbi s GLU 49 Ca 0.32 -1.14 -0.20 0.00 -0.41 0.00 0.00 54.97 53.55 1rbi s GLU 49 Cb 0.06 0.30 -0.04 0.00 -1.78 0.00 0.00 34.13 32.66 1rbi s GLU 49 CO 0.10 -0.24 1.24 -1.54 -0.49 0.00 0.00 175.26 174.33 1rbi s SER 50 N -2.92 5.20 0.26 -0.19 1.04 -1.26 -4.85 113.70 110.98 1rbi s SER 50 Ca 0.10 2.49 -0.03 0.00 0.48 0.00 0.00 55.95 58.99 1rbi s SER 50 Cb 0.06 -2.61 0.42 0.00 0.10 0.00 0.00 66.02 63.99 1rbi s SER 50 CO -0.07 -1.59 1.84 0.25 0.98 0.00 0.00 173.24 174.64 1rbi h LEU 51 N 1.05 0.82 -0.84 2.42 5.85 -1.99 -2.15 115.31 120.46 1rbi h LEU 51 Ca -0.51 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.13 1rbi h LEU 51 Cb 1.30 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1rbi h LEU 51 CO 0.56 0.48 -0.56 0.00 -0.34 0.00 0.00 178.44 178.58 1rbi h ALA 52 N 1.46 1.04 -0.05 1.25 0.00 -1.98 0.27 119.26 121.25 1rbi h ALA 52 Ca 0.42 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1rbi h ALA 52 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1rbi h ALA 52 CO -0.22 0.71 -0.59 -0.44 0.00 0.00 0.00 179.25 178.70 1rbi h ASP 53 N 0.03 0.17 -0.30 0.00 3.32 -1.82 0.13 116.42 117.96 1rbi h ASP 53 Ca -0.00 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 1rbi h ASP 53 Cb 1.01 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 1rbi h ASP 53 CO 0.08 0.72 -0.34 0.58 -1.72 0.00 0.00 179.24 178.55 1rbi h VAL 54 N 0.11 1.30 0.00 -1.35 2.07 -0.80 -3.09 116.25 114.49 1rbi h VAL 54 Ca -0.00 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 1rbi h VAL 54 Cb 1.07 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1rbi h VAL 54 CO 0.09 0.49 -0.24 1.56 0.02 0.00 0.00 177.57 179.49 1rbi h GLN 55 N 0.52 0.00 0.00 1.57 4.20 -0.75 -2.18 115.11 118.47 1rbi h GLN 55 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1rbi h GLN 55 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1rbi h GLN 55 CO 0.08 0.24 0.00 0.00 -0.67 0.00 0.00 178.83 178.48 1rbi h ALA 56 N 1.76 1.00 0.00 3.87 0.00 -0.88 -2.71 119.26 122.30 1rbi h ALA 56 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rbi h ALA 56 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1rbi h ALA 56 CO 0.03 0.00 -0.07 0.28 0.00 0.00 0.00 179.25 179.49 1rbi h VAL 57 N 0.00 0.32 0.00 0.00 2.07 -1.47 -2.73 116.25 114.43 1rbi h VAL 57 Ca 0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1rbi h VAL 57 Cb 0.08 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1rbi h VAL 57 CO 0.00 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1rbi n SER 59 N -1.35 1.89 0.00 0.00 3.41 -1.03 -4.99 113.62 111.55 1rbi n SER 59 Ca 0.05 -3.47 0.00 0.00 -0.26 0.00 0.00 58.87 55.19 1rbi n SER 59 Cb 0.11 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1rbi n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rbi n GLN 60 N -1.16 0.72 -2.61 4.33 6.02 -0.12 -4.99 117.38 119.56 1rbi n GLN 60 Ca 0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 1rbi n GLN 60 Cb 0.69 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.93 1rbi n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rbi s LYS 61 N 4.24 3.91 0.16 -1.09 2.47 -0.93 -4.83 119.74 123.67 1rbi s LYS 61 Ca 0.00 0.87 -0.31 0.00 -1.56 0.00 0.00 55.97 54.97 1rbi s LYS 61 Cb 0.00 -3.82 -0.09 0.00 -1.46 0.00 0.00 37.83 32.47 1rbi s LYS 61 CO 0.00 -1.12 1.41 1.21 0.16 0.00 0.00 175.35 177.01 1rbi s ASN 62 N 2.05 6.78 0.12 1.43 3.04 -1.26 -0.46 114.94 126.64 1rbi s ASN 62 Ca 0.47 2.43 -0.03 0.00 0.04 0.00 0.00 52.86 55.77 1rbi s ASN 62 Cb -0.10 -2.60 -0.03 0.00 -1.54 0.00 0.00 41.25 36.98 1rbi s ASN 62 CO 0.23 -0.66 0.08 0.68 -3.04 0.00 0.00 177.10 174.39 1rbi s VAL 63 N 0.74 0.12 0.38 -5.21 -7.23 -0.29 -4.92 120.40 104.00 1rbi s VAL 63 Ca 0.63 -1.75 -0.24 0.00 -1.81 0.00 0.00 61.98 58.81 1rbi s VAL 63 Cb -0.38 -1.85 -0.10 0.00 0.56 0.00 0.00 36.38 34.61 1rbi s VAL 63 CO 0.34 -0.57 0.99 0.00 -0.31 0.00 0.00 175.10 175.55 1rbi s ALA 64 N -3.99 3.12 0.68 1.32 0.00 -1.26 -2.83 121.76 118.79 1rbi s ALA 64 Ca 0.18 0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 1rbi s ALA 64 Cb 0.07 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.99 1rbi s ALA 64 CO -0.02 0.01 1.06 0.00 0.00 0.00 0.00 175.76 176.81 1rbi h LYS 66 N -0.55 0.32 -0.38 0.00 1.57 -1.90 0.43 116.57 116.06 1rbi h LYS 66 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1rbi h LYS 66 Cb 1.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1rbi h LYS 66 CO 0.63 0.21 0.00 0.27 -0.57 0.00 0.00 179.45 180.00 1rbi n ASN 67 N -4.51 1.18 0.00 0.86 0.23 -1.26 -4.90 115.26 106.86 1rbi n ASN 67 Ca 0.23 -2.06 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 1rbi n ASN 67 Cb 0.85 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 1rbi n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rbi n GLY 68 N 0.57 2.04 3.75 4.83 0.00 0.15 -5.01 105.19 111.51 1rbi n GLY 68 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1rbi n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rbi s GLN 69 N -0.04 1.77 -0.20 1.61 2.00 -1.26 -4.60 119.66 118.95 1rbi s GLN 69 Ca 0.00 0.92 0.15 0.00 -2.00 0.00 0.00 55.36 54.43 1rbi s GLN 69 Cb 0.00 -1.86 0.45 0.00 0.80 0.00 0.00 33.01 32.40 1rbi s GLN 69 CO 0.00 -1.91 1.34 0.25 -0.50 0.00 0.00 175.29 174.47 1rbi n THR 70 N -3.67 2.24 -1.29 -0.34 -2.24 -1.26 -0.03 114.28 107.68 1rbi n THR 70 Ca 0.08 -2.31 -0.25 0.00 -2.27 0.00 0.00 64.05 59.30 1rbi n THR 70 Cb 0.54 -0.27 0.15 0.00 -2.10 0.00 0.00 70.33 68.66 1rbi n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rbi n ASN 71 N -0.96 4.61 -4.87 3.42 6.94 -1.26 -4.71 115.26 118.43 1rbi n ASN 71 Ca 0.23 -3.67 -0.26 0.00 -0.02 0.00 0.00 54.58 50.85 1rbi n ASN 71 Cb 0.84 -0.84 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 1rbi n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rbi s TYR 73 N -1.73 -0.11 -0.12 0.00 1.51 -0.16 -1.14 117.35 115.60 1rbi s TYR 73 Ca 0.33 0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 56.65 1rbi s TYR 73 Cb -0.11 0.04 -0.02 0.00 -0.11 0.00 0.00 41.96 41.76 1rbi s TYR 73 CO 0.26 -0.05 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.42 1rbi s GLN 74 N 0.06 3.33 0.37 -0.62 0.74 0.39 -1.50 119.66 122.43 1rbi s GLN 74 Ca -0.00 -0.60 -0.28 0.00 0.05 0.00 0.00 55.36 54.53 1rbi s GLN 74 Cb -0.01 -2.71 -0.10 0.00 1.10 0.00 0.00 33.01 31.29 1rbi s GLN 74 CO 0.00 0.33 1.32 -1.54 -0.55 0.00 0.00 175.29 174.85 1rbi s SER 75 N 0.09 6.55 0.33 6.67 1.04 -0.62 -2.19 113.70 125.57 1rbi s SER 75 Ca -0.03 2.70 0.03 0.00 0.48 0.00 0.00 55.95 59.13 1rbi s SER 75 Cb -0.14 -2.65 0.57 0.00 0.10 0.00 0.00 66.02 63.91 1rbi s SER 75 CO 0.04 -0.69 1.88 1.88 0.98 0.00 0.00 173.24 177.33 1rbi h TYR 76 N 3.05 0.63 -1.81 5.02 0.05 -1.96 -3.44 116.97 118.51 1rbi h TYR 76 Ca -0.49 -0.05 -0.55 0.00 0.05 0.00 0.00 58.73 57.68 1rbi h TYR 76 Cb 1.24 -0.19 -0.08 0.00 1.01 0.00 0.00 36.73 38.71 1rbi h TYR 76 CO 0.54 0.56 -0.54 0.45 -1.05 0.00 0.00 178.16 178.13 1rbi s SER 77 N -6.68 4.55 0.48 3.88 0.15 -1.26 -5.07 113.70 109.74 1rbi s SER 77 Ca -0.08 -0.88 -0.19 0.00 0.70 0.00 0.00 55.95 55.50 1rbi s SER 77 Cb 0.16 -0.63 -0.09 0.00 -1.71 0.00 0.00 66.02 63.74 1rbi s SER 77 CO 0.77 -0.35 0.98 0.42 1.20 0.00 0.00 173.24 176.26 1rbi s THR 78 N -2.48 4.29 0.09 6.45 -4.23 -1.26 -4.39 115.64 114.11 1rbi s THR 78 Ca 0.38 1.31 0.07 0.00 -1.18 0.00 0.00 61.69 62.27 1rbi s THR 78 Cb -0.01 -3.60 -0.03 0.00 1.34 0.00 0.00 72.50 70.20 1rbi s THR 78 CO 0.22 -0.43 -0.18 -0.04 -0.54 0.00 0.00 174.62 173.65 1rbi s MET 79 N -3.51 1.01 -0.10 3.99 -1.94 0.75 -4.82 119.30 114.68 1rbi s MET 79 Ca 0.62 -1.09 -0.29 0.00 -1.71 0.00 0.00 55.69 53.22 1rbi s MET 79 Cb -0.11 -1.18 -0.05 0.00 2.01 0.00 0.00 34.83 35.50 1rbi s MET 79 CO 0.21 0.27 1.64 0.45 -0.01 0.00 0.00 175.02 177.58 1rbi s SER 80 N -1.86 6.59 0.08 3.03 0.15 -1.26 -0.82 113.70 119.61 1rbi s SER 80 Ca 0.03 2.06 0.04 0.00 0.70 0.00 0.00 55.95 58.78 1rbi s SER 80 Cb -0.10 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 1rbi s SER 80 CO 0.04 -1.01 -0.11 0.27 1.20 0.00 0.00 173.24 173.62 1rbi s ILE 81 N 4.37 0.93 -0.18 6.45 -5.25 0.29 -0.39 121.20 127.42 1rbi s ILE 81 Ca 0.73 -1.42 0.01 0.00 -0.99 0.00 0.00 60.65 58.97 1rbi s ILE 81 Cb -0.31 -1.12 0.01 0.00 2.95 0.00 0.00 42.46 44.00 1rbi s ILE 81 CO 0.29 -0.41 -0.18 -0.89 -1.79 0.00 0.00 174.94 171.96 1rbi s THR 82 N -1.83 2.26 0.00 8.37 2.01 0.06 -1.51 115.64 125.00 1rbi s THR 82 Ca -0.00 -0.88 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 1rbi s THR 82 Cb -0.07 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 1rbi s THR 82 CO 0.01 0.53 0.59 -1.81 -0.69 0.00 0.00 174.62 173.24 1rbi s ASP 83 N 1.19 6.97 -0.15 3.53 1.01 0.78 -1.23 116.67 128.77 1rbi s ASP 83 Ca 0.02 1.16 0.02 0.00 0.71 0.00 0.00 52.55 54.47 1rbi s ASP 83 Cb -0.14 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.44 1rbi s ASP 83 CO -0.09 0.12 -0.22 0.00 0.21 0.00 0.00 175.17 175.19 1rbi s ARG 85 N 0.88 0.47 0.31 0.00 3.52 -0.40 -1.33 118.95 122.40 1rbi s ARG 85 Ca -0.05 -0.05 -0.30 0.00 -0.13 0.00 0.00 55.73 55.20 1rbi s ARG 85 Cb -0.15 -0.54 -0.11 0.00 -1.56 0.00 0.00 34.95 32.59 1rbi s ARG 85 CO -0.04 -0.05 1.59 0.39 -0.81 0.00 0.00 175.30 176.38 1rbi n GLU 86 N 3.74 2.72 -1.12 5.12 1.02 -0.16 0.35 120.64 132.30 1rbi n GLU 86 Ca -0.22 0.97 -0.29 0.00 -0.02 0.00 0.00 57.16 57.59 1rbi n GLU 86 Cb 0.53 -2.74 0.16 0.00 -0.02 0.00 0.00 31.44 29.37 1rbi n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1rbi s THR 87 N -0.18 2.36 0.35 2.62 -4.23 -0.60 -4.80 115.64 111.16 1rbi s THR 87 Ca 0.62 0.12 0.25 0.00 -1.18 0.00 0.00 61.69 61.50 1rbi s THR 87 Cb -0.49 -2.55 0.26 0.00 1.34 0.00 0.00 72.50 71.06 1rbi s THR 87 CO 0.51 -0.15 2.00 1.23 -0.54 0.00 0.00 174.62 177.67 1rbi h GLY 88 N -1.79 0.00 1.20 3.99 0.00 -1.95 -2.55 103.07 101.97 1rbi h GLY 88 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1rbi h GLY 88 CO 0.55 0.00 -0.04 -1.14 0.00 0.00 0.00 176.54 175.91 1rbi n SER 89 N -3.62 0.21 -4.75 0.19 3.41 -1.26 -4.94 113.62 102.86 1rbi n SER 89 Ca -0.01 -0.45 -0.40 0.00 -0.26 0.00 0.00 58.87 57.74 1rbi n SER 89 Cb 0.29 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 1rbi n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rbi s SER 90 N -2.44 7.62 -0.13 4.04 0.15 -0.96 -4.95 113.70 117.02 1rbi s SER 90 Ca 0.32 1.92 -0.09 0.00 0.70 0.00 0.00 55.95 58.79 1rbi s SER 90 Cb 0.20 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.96 1rbi s SER 90 CO 0.45 0.15 0.33 -1.59 1.20 0.00 0.00 173.24 173.78 1rbi s LYS 91 N -1.10 0.34 0.30 5.44 -2.85 -1.17 -4.94 119.74 115.76 1rbi s LYS 91 Ca 0.41 0.57 -0.29 0.00 -1.00 0.00 0.00 55.97 55.65 1rbi s LYS 91 Cb -0.26 0.05 -0.11 0.00 -2.06 0.00 0.00 37.83 35.46 1rbi s LYS 91 CO 0.32 -0.11 1.46 -0.47 0.10 0.00 0.00 175.35 176.65 1rbi s TYR 92 N 0.78 2.87 -1.27 1.78 5.04 -1.26 0.57 117.35 125.86 1rbi s TYR 92 Ca -0.05 1.06 0.28 0.00 -2.44 0.00 0.00 57.07 55.92 1rbi s TYR 92 Cb -0.06 -3.90 1.07 0.00 0.35 0.00 0.00 41.96 39.42 1rbi s TYR 92 CO -0.05 -2.82 1.78 -0.35 -1.34 0.00 0.00 175.55 172.76 1rbi n PRO 93 N 1.68 0.29 -2.42 4.97 -0.04 -1.26 -4.97 135.00 133.24 1rbi n PRO 93 Ca 0.05 -0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 62.99 1rbi n PRO 93 Cb 0.40 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.36 1rbi n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rbi n ASN 94 N -1.28 5.25 -4.77 3.54 4.13 0.19 -4.75 115.26 117.58 1rbi n ASN 94 Ca 0.10 -3.15 -0.40 0.00 1.68 0.00 0.00 54.58 52.81 1rbi n ASN 94 Cb 0.31 -1.45 -0.01 0.00 -1.54 0.00 0.00 39.78 37.08 1rbi n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rbi s ALA 96 N -1.22 0.30 0.01 0.00 0.00 -1.26 -1.39 121.76 118.20 1rbi s ALA 96 Ca 0.53 -0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.52 1rbi s ALA 96 Cb -0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1rbi s ALA 96 CO 0.49 0.01 -0.15 0.71 0.00 0.00 0.00 175.76 176.83 1rbi s TYR 97 N 0.36 1.31 -0.07 0.00 1.51 -1.26 -1.55 117.35 117.65 1rbi s TYR 97 Ca -0.03 -0.30 -0.19 0.00 -1.01 0.00 0.00 57.07 55.54 1rbi s TYR 97 Cb -0.06 -0.81 -0.05 0.00 -0.11 0.00 0.00 41.96 40.93 1rbi s TYR 97 CO -0.01 0.01 0.52 0.21 -1.11 0.00 0.00 175.55 175.17 1rbi s LYS 98 N -0.75 4.29 -0.26 -0.62 2.20 0.16 -4.83 119.74 119.92 1rbi s LYS 98 Ca 0.04 0.55 -0.10 0.00 -0.36 0.00 0.00 55.97 56.11 1rbi s LYS 98 Cb -0.07 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1rbi s LYS 98 CO 0.00 0.28 0.15 0.99 -0.36 0.00 0.00 175.35 176.41 1rbi s THR 99 N 0.19 5.00 -0.20 3.43 2.01 -1.26 -1.28 115.64 123.53 1rbi s THR 99 Ca 0.28 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1rbi s THR 99 Cb -0.16 -3.36 0.04 0.00 0.01 0.00 0.00 72.50 69.03 1rbi s THR 99 CO 0.13 0.30 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.35 1rbi s THR 100 N 1.57 1.74 0.03 -0.82 2.01 -0.27 -4.98 115.64 114.93 1rbi s THR 100 Ca 0.07 -1.05 -0.18 0.00 0.31 0.00 0.00 61.69 60.83 1rbi s THR 100 Cb -0.15 -1.79 -0.06 0.00 0.01 0.00 0.00 72.50 70.51 1rbi s THR 100 CO 0.08 0.20 0.52 -1.58 -0.69 0.00 0.00 174.62 173.14 1rbi s GLN 101 N 1.36 4.13 0.23 4.92 2.00 -1.26 -0.16 119.66 130.88 1rbi s GLN 101 Ca -0.01 0.62 -0.19 0.00 -2.00 0.00 0.00 55.36 53.78 1rbi s GLN 101 Cb -0.16 -3.25 0.03 0.00 0.80 0.00 0.00 33.01 30.42 1rbi s GLN 101 CO -0.08 0.60 0.60 0.00 -0.50 0.00 0.00 175.29 175.91 1rbi s ALA 102 N -0.91 -1.06 -0.29 1.58 0.00 -0.57 -5.00 121.76 115.52 1rbi s ALA 102 Ca 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 51.96 52.00 1rbi s ALA 102 Cb -0.18 0.88 0.05 0.00 0.00 0.00 0.00 23.12 23.87 1rbi s ALA 102 CO 0.17 -0.90 -0.03 -0.80 0.00 0.00 0.00 175.76 174.20 1rbi s ASN 103 N -2.89 4.77 0.09 0.00 0.01 -1.26 -0.55 114.94 115.10 1rbi s ASN 103 Ca 0.10 -1.30 0.00 0.00 -0.71 0.00 0.00 52.86 50.96 1rbi s ASN 103 Cb -0.03 -1.67 -0.04 0.00 0.41 0.00 0.00 41.25 39.92 1rbi s ASN 103 CO 0.01 -0.24 -0.04 -0.54 -1.51 0.00 0.00 177.10 174.78 1rbi s LYS 104 N 1.21 0.77 0.19 -0.60 1.02 -0.00 -4.74 119.74 117.59 1rbi s LYS 104 Ca -0.06 -1.31 -0.30 0.00 0.02 0.00 0.00 55.97 54.32 1rbi s LYS 104 Cb -0.20 -0.00 -0.08 0.00 -0.52 0.00 0.00 37.83 37.03 1rbi s LYS 104 CO -0.02 -0.08 1.05 -1.01 -0.92 0.00 0.00 175.35 174.36 1rbi s HIS 105 N -3.78 3.70 0.13 3.18 3.76 -1.26 -0.18 115.29 120.83 1rbi s HIS 105 Ca 0.12 1.70 0.03 0.00 -0.15 0.00 0.00 55.06 56.76 1rbi s HIS 105 Cb 0.07 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 1rbi s HIS 105 CO -0.06 -0.28 0.19 0.96 -0.85 0.00 0.00 174.74 174.71 1rbi s ILE 106 N -0.48 4.92 -0.12 0.60 -4.36 -1.26 -0.93 121.20 119.57 1rbi s ILE 106 Ca 0.47 -0.79 0.02 0.00 -0.26 0.00 0.00 60.65 60.08 1rbi s ILE 106 Cb -0.28 -3.48 0.02 0.00 1.25 0.00 0.00 42.46 39.96 1rbi s ILE 106 CO 0.34 -0.03 -0.16 -0.63 0.24 0.00 0.00 174.94 174.71 1rbi s ILE 107 N -1.65 1.56 0.10 8.37 1.09 0.03 -1.58 121.20 129.11 1rbi s ILE 107 Ca 0.33 -0.67 0.07 0.00 -1.10 0.00 0.00 60.65 59.28 1rbi s ILE 107 Cb -0.11 -1.42 -0.03 0.00 -1.06 0.00 0.00 42.46 39.83 1rbi s ILE 107 CO 0.26 0.45 -0.19 0.68 -0.10 0.00 0.00 174.94 176.04 1rbi s VAL 108 N 1.03 1.58 -0.11 2.92 -7.23 -0.56 -0.61 120.40 117.41 1rbi s VAL 108 Ca -0.05 -1.52 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 1rbi s VAL 108 Cb -0.15 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 35.28 1rbi s VAL 108 CO -0.03 -0.12 0.24 0.00 -0.31 0.00 0.00 175.10 174.89 1rbi s ALA 109 N -1.27 3.73 0.09 1.32 0.00 -0.38 -0.98 121.76 124.27 1rbi s ALA 109 Ca 0.05 -0.50 0.10 0.00 0.00 0.00 0.00 51.96 51.61 1rbi s ALA 109 Cb -0.10 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1rbi s ALA 109 CO 0.04 0.37 -0.26 0.00 0.00 0.00 0.00 175.76 175.92 1rbi s GLU 111 N -1.65 1.32 0.19 0.00 2.02 -0.51 -4.88 118.70 115.20 1rbi s GLU 111 Ca 0.13 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1rbi s GLU 111 Cb -0.10 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.64 1rbi s GLU 111 CO 0.04 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.18 1rbi n GLY 112 N -0.32 -2.71 2.70 -1.39 0.00 -1.26 -1.69 105.19 100.51 1rbi n GLY 112 Ca -0.11 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 43.84 1rbi n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rbi s ASN 113 N -2.39 1.74 0.48 1.61 2.47 -1.26 -3.12 114.94 114.48 1rbi s ASN 113 Ca 0.00 -0.37 -0.23 0.00 0.42 0.00 0.00 52.86 52.68 1rbi s ASN 113 Cb 0.00 0.15 -0.07 0.00 -1.45 0.00 0.00 41.25 39.88 1rbi s ASN 113 CO 0.00 -0.34 1.27 -2.16 -3.72 0.00 0.00 177.10 172.16 1rbi s PRO 114 N 2.26 3.55 -0.60 0.43 0.04 -1.26 -5.06 135.00 134.37 1rbi s PRO 114 Ca 0.05 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.86 1rbi s PRO 114 Cb -0.16 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 1rbi s PRO 114 CO -0.11 -0.80 1.69 -0.47 0.04 0.00 0.00 177.00 177.35 1rbi s TYR 115 N -1.39 1.88 0.16 0.56 5.04 -1.18 -4.85 117.35 117.57 1rbi s TYR 115 Ca 0.65 0.59 0.05 0.00 -2.44 0.00 0.00 57.07 55.92 1rbi s TYR 115 Cb -0.35 -4.23 -0.05 0.00 0.35 0.00 0.00 41.96 37.68 1rbi s TYR 115 CO 0.43 -2.27 -0.11 0.14 -1.34 0.00 0.00 175.55 172.40 1rbi s VAL 116 N 7.82 1.28 0.19 3.14 -7.23 -0.68 -4.83 120.40 120.09 1rbi s VAL 116 Ca 0.61 -2.09 -0.31 0.00 -1.81 0.00 0.00 61.98 58.37 1rbi s VAL 116 Cb -0.12 -1.92 -0.10 0.00 0.56 0.00 0.00 36.38 34.80 1rbi s VAL 116 CO 0.22 -0.69 1.55 -2.84 -0.31 0.00 0.00 175.10 173.02 1rbi s PRO 117 N -3.73 4.22 -0.00 4.82 0.02 -1.26 -1.42 135.00 137.64 1rbi s PRO 117 Ca 0.19 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1rbi s PRO 117 Cb 0.02 -3.13 -0.00 0.00 0.02 0.00 0.00 34.50 31.41 1rbi s PRO 117 CO 0.02 -0.57 0.00 1.33 -0.33 0.00 0.00 177.00 177.45 1rbi n VAL 118 N 3.47 0.00 -3.89 3.83 0.24 -0.26 -4.89 118.33 116.83 1rbi n VAL 118 Ca 0.12 -0.07 -0.11 0.00 -2.04 0.00 0.00 64.34 62.24 1rbi n VAL 118 Cb 0.39 0.57 -0.11 0.00 -1.47 0.00 0.00 33.84 33.22 1rbi n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1rbi s HIS 119 N -1.87 0.06 -0.30 6.34 3.76 -1.16 -4.99 115.29 117.13 1rbi s HIS 119 Ca -0.00 -0.13 -0.14 0.00 -0.15 0.00 0.00 55.06 54.64 1rbi s HIS 119 Cb 0.00 -0.06 -0.03 0.00 1.11 0.00 0.00 32.58 33.60 1rbi s HIS 119 CO 0.00 -0.22 0.31 0.12 -0.85 0.00 0.00 174.74 174.09 1rbi s PHE 120 N -1.12 3.22 -0.08 1.40 5.36 -1.26 -1.24 117.98 124.26 1rbi s PHE 120 Ca -0.12 0.12 0.12 0.00 -0.96 0.00 0.00 56.93 56.09 1rbi s PHE 120 Cb -0.07 -2.54 -0.24 0.00 -0.34 0.00 0.00 43.02 39.83 1rbi s PHE 120 CO 0.01 -0.29 0.53 -3.47 -1.46 0.00 0.00 175.22 170.53 1rbi n ASP 121 N 5.25 0.82 0.00 6.13 2.03 0.22 -4.96 116.55 126.04 1rbi n ASP 121 Ca -0.11 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1rbi n ASP 121 Cb 0.50 0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1rbi n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rbi n ALA 122 N -2.63 0.00 -2.60 -1.67 0.00 -1.15 -4.90 120.51 107.57 1rbi n ALA 122 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 1rbi n ALA 122 Cb 1.07 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.38 1rbi n ALA 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rbi s SER 123 N 0.00 1.65 0.00 0.00 0.01 -1.26 -0.79 113.70 113.30 1rbi s SER 123 Ca 0.00 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1rbi s SER 123 Cb 0.00 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1rbi s SER 123 CO 0.00 0.12 0.07 1.33 0.41 0.00 0.00 173.24 175.17