#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrp s PHE 18 N 0.00 2.23 0.30 1.57 0.08 -1.26 -5.10 117.98 115.80 1rrp s PHE 18 Ca 0.00 -1.06 -0.30 0.00 0.12 0.00 0.00 56.93 55.69 1rrp s PHE 18 Cb 0.00 -1.56 -0.11 0.00 -0.57 0.00 0.00 43.02 40.78 1rrp s PHE 18 CO 0.00 -0.51 1.55 -1.21 -0.10 0.00 0.00 175.22 174.95 1rrp s GLU 19 N 0.88 4.14 0.38 0.44 2.02 -1.26 -4.92 118.70 120.37 1rrp s GLU 19 Ca -0.08 2.53 -0.27 0.00 0.02 0.00 0.00 54.97 57.17 1rrp s GLU 19 Cb -0.15 -3.03 -0.09 0.00 0.10 0.00 0.00 34.13 30.95 1rrp s GLU 19 CO -0.01 -0.58 1.32 -1.25 0.02 0.00 0.00 175.26 174.76 1rrp s PRO 20 N -0.73 4.12 -0.14 0.39 0.04 -1.26 -4.97 135.00 132.44 1rrp s PRO 20 Ca 0.61 2.22 -0.11 0.00 0.04 0.00 0.00 61.00 63.76 1rrp s PRO 20 Cb -0.47 -2.89 -0.24 0.00 0.04 0.00 0.00 34.50 30.94 1rrp s PRO 20 CO 0.50 -0.39 0.33 1.33 0.04 0.00 0.00 177.00 178.80 1rrp n VAL 21 N 0.40 1.72 -3.71 -0.36 0.24 -1.26 -4.91 118.33 110.45 1rrp n VAL 21 Ca 0.02 -0.48 -0.37 0.00 -2.04 0.00 0.00 64.34 61.47 1rrp n VAL 21 Cb 0.42 -1.83 -0.06 0.00 -1.47 0.00 0.00 33.84 30.91 1rrp n VAL 21 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rrp s VAL 22 N -2.50 5.34 0.40 3.34 0.11 -1.26 -5.06 120.40 120.76 1rrp s VAL 22 Ca -0.24 0.44 -0.27 0.00 -2.93 0.00 0.00 61.98 58.97 1rrp s VAL 22 Cb 0.06 -3.53 -0.10 0.00 -1.53 0.00 0.00 36.38 31.28 1rrp s VAL 22 CO 0.72 0.55 1.45 -0.81 -3.33 0.00 0.00 175.10 173.69 1rrp n PRO 23 N 2.35 2.49 -1.64 1.54 -0.04 -1.26 -4.84 135.00 133.60 1rrp n PRO 23 Ca -0.17 0.88 -0.49 0.00 -0.04 0.00 0.00 63.50 63.68 1rrp n PRO 23 Cb 0.53 -2.63 -0.05 0.00 -0.04 0.00 0.00 33.50 31.32 1rrp n PRO 23 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1rrp n LEU 24 N 0.28 3.17 -4.72 1.53 7.99 -1.26 -4.96 117.00 119.02 1rrp n LEU 24 Ca 0.03 0.82 -0.42 0.00 -0.01 0.00 0.00 56.01 56.43 1rrp n LEU 24 Cb 0.39 -1.36 -0.04 0.00 -0.11 0.00 0.00 43.42 42.31 1rrp n LEU 24 CO 0.62 -0.24 0.75 -2.84 -1.51 0.00 0.00 177.39 174.18 1rrp s PRO 25 N 4.61 4.57 0.73 3.23 0.02 -1.26 -5.01 135.00 141.88 1rrp s PRO 25 Ca 0.97 1.58 -0.16 0.00 0.02 0.00 0.00 61.00 63.41 1rrp s PRO 25 Cb -0.71 -3.37 0.03 0.00 0.02 0.00 0.00 34.50 30.47 1rrp s PRO 25 CO 0.51 -0.01 1.21 -0.25 -0.33 0.00 0.00 177.00 178.13 1rrp n ASP 26 N 3.30 1.40 -3.08 2.53 9.92 -1.26 -4.97 116.55 124.38 1rrp n ASP 26 Ca 0.05 0.70 -0.07 0.00 -0.53 0.00 0.00 54.79 54.94 1rrp n ASP 26 Cb 0.48 -1.52 0.07 0.00 -0.64 0.00 0.00 41.12 39.51 1rrp n ASP 26 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1rrp n LYS 27 N -2.53 -2.08 -3.81 -1.24 5.02 -1.26 -5.04 118.16 107.22 1rrp n LYS 27 Ca 0.15 -0.34 -0.12 0.00 -2.02 0.00 0.00 58.31 55.98 1rrp n LYS 27 Cb 0.49 -0.48 -0.10 0.00 -0.02 0.00 0.00 35.03 34.93 1rrp n LYS 27 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1rrp s ILE 28 N -1.18 0.05 -0.96 -0.18 1.09 -1.26 -5.00 121.20 113.76 1rrp s ILE 28 Ca 0.15 -0.44 -0.18 0.00 -1.10 0.00 0.00 60.65 59.08 1rrp s ILE 28 Cb -0.03 -0.47 -0.10 0.00 -1.06 0.00 0.00 42.46 40.80 1rrp s ILE 28 CO 0.13 -0.24 2.04 1.21 -0.10 0.00 0.00 174.94 177.97 1rrp n GLU 29 N 1.78 1.92 -0.64 2.79 2.13 -1.26 -4.81 120.64 122.54 1rrp n GLU 29 Ca -0.20 -1.97 -0.13 0.00 0.66 0.00 0.00 57.16 55.52 1rrp n GLU 29 Cb 0.56 -2.94 -0.08 0.00 0.27 0.00 0.00 31.44 29.25 1rrp n GLU 29 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1rrp n VAL 30 N 5.55 0.00 0.00 6.31 0.24 -1.26 -4.87 118.33 124.30 1rrp n VAL 30 Ca 0.50 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.67 1rrp n VAL 30 Cb 0.37 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 1rrp n VAL 30 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1rrp n LYS 31 N 2.84 0.00 0.00 7.34 3.00 -1.26 -4.99 118.16 125.09 1rrp n LYS 31 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 1rrp n LYS 31 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.07 1rrp n LYS 31 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1rrp n THR 32 N 0.00 0.00 -0.26 3.15 5.66 -1.26 -4.82 114.28 116.75 1rrp n THR 32 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rrp n THR 32 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1rrp n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rrp n GLY 33 N 0.00 0.00 0.00 1.09 0.00 -1.26 -4.75 105.19 100.27 1rrp n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rrp n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rrp n GLU 34 N -0.06 0.00 0.00 1.61 -0.58 -1.26 -4.92 120.64 115.43 1rrp n GLU 34 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1rrp n GLU 34 Cb 0.06 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.93 1rrp n GLU 34 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1rrp n GLU 35 N 0.00 0.00 -0.40 3.49 0.00 -1.26 -4.18 120.64 118.29 1rrp n GLU 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1rrp n GLU 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1rrp n GLU 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1rrp n ASP 36 N 0.00 0.00 -3.84 -1.84 9.92 -1.26 -4.60 116.55 114.93 1rrp n ASP 36 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1rrp n ASP 36 Cb 0.00 -0.32 -0.04 0.00 -0.64 0.00 0.00 41.12 40.12 1rrp n ASP 36 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1rrp s GLU 37 N -0.80 1.45 -0.01 -1.24 2.02 -1.26 -0.35 118.70 118.52 1rrp s GLU 37 Ca 0.00 -1.01 0.02 0.00 0.02 0.00 0.00 54.97 54.00 1rrp s GLU 37 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 34.13 34.74 1rrp s GLU 37 CO 0.00 -0.61 -0.05 -1.83 0.02 0.00 0.00 175.26 172.79 1rrp s GLU 38 N -3.93 0.49 -0.89 1.61 -1.05 -1.02 -4.87 118.70 109.04 1rrp s GLU 38 Ca 0.14 -0.17 -0.25 0.00 -0.15 0.00 0.00 54.97 54.53 1rrp s GLU 38 Cb -0.01 -0.49 -0.12 0.00 -0.44 0.00 0.00 34.13 33.07 1rrp s GLU 38 CO 0.02 0.08 2.21 -1.21 0.95 0.00 0.00 175.26 177.31 1rrp s GLU 39 N 0.07 1.85 0.00 -4.83 2.02 -1.26 -3.40 118.70 113.15 1rrp s GLU 39 Ca -0.00 0.03 0.05 0.00 0.02 0.00 0.00 54.97 55.06 1rrp s GLU 39 Cb -0.04 -4.92 0.21 0.00 0.10 0.00 0.00 34.13 29.48 1rrp s GLU 39 CO -0.00 -4.30 1.14 0.34 0.02 0.00 0.00 175.26 172.46 1rrp n PHE 40 N 17.30 0.00 0.00 1.61 -0.00 0.43 -4.71 117.46 132.09 1rrp n PHE 40 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.89 1rrp n PHE 40 Cb 0.45 -0.48 0.00 0.00 -0.00 0.00 0.00 39.48 39.45 1rrp n PHE 40 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1rrp n PHE 41 N -1.48 0.00 -3.15 -5.13 -0.00 -1.24 -4.91 117.46 101.56 1rrp n PHE 41 Ca 0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.51 1rrp n PHE 41 Cb 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.53 1rrp n PHE 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1rrp s ASN 43 N 2.89 1.08 0.16 0.00 3.84 -0.95 -4.96 114.94 116.98 1rrp s ASN 43 Ca 0.16 -0.72 -0.17 0.00 0.21 0.00 0.00 52.86 52.34 1rrp s ASN 43 Cb -0.08 0.04 -0.07 0.00 -0.55 0.00 0.00 41.25 40.59 1rrp s ASN 43 CO -0.23 -0.28 0.61 0.00 -2.79 0.00 0.00 177.10 174.41 1rrp s ARG 44 N -2.40 4.10 0.28 0.43 1.04 -1.25 0.54 118.95 121.68 1rrp s ARG 44 Ca -0.01 0.65 -0.08 0.00 -1.04 0.00 0.00 55.73 55.24 1rrp s ARG 44 Cb -0.05 -2.97 0.03 0.00 -2.04 0.00 0.00 34.95 29.93 1rrp s ARG 44 CO -0.01 0.48 0.51 0.00 -0.04 0.00 0.00 175.30 176.24 1rrp n ALA 45 N 0.94 -1.01 -2.87 7.88 0.00 0.49 -4.78 120.51 121.16 1rrp n ALA 45 Ca -0.05 -0.98 -0.32 0.00 0.00 0.00 0.00 53.44 52.08 1rrp n ALA 45 Cb 0.51 0.78 -0.15 0.00 0.00 0.00 0.00 19.45 20.60 1rrp n ALA 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1rrp s LYS 46 N -2.20 2.93 -0.08 0.00 2.20 -0.95 -1.29 119.74 120.34 1rrp s LYS 46 Ca 0.14 -0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 54.95 1rrp s LYS 46 Cb -0.03 -2.41 -0.04 0.00 -1.51 0.00 0.00 37.83 33.85 1rrp s LYS 46 CO 0.10 0.35 0.04 -1.17 -0.36 0.00 0.00 175.35 174.31 1rrp s LEU 47 N -0.03 3.78 -0.03 5.43 2.96 0.35 -1.10 118.68 130.04 1rrp s LEU 47 Ca -0.05 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1rrp s LEU 47 Cb -0.14 -1.92 -0.00 0.00 0.50 0.00 0.00 46.19 44.63 1rrp s LEU 47 CO 0.04 0.37 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.96 1rrp s PHE 48 N -0.95 1.24 -0.06 5.38 0.40 0.21 0.18 117.98 124.38 1rrp s PHE 48 Ca 0.15 -0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1rrp s PHE 48 Cb -0.12 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.54 1rrp s PHE 48 CO 0.04 -0.10 -0.13 0.50 0.70 0.00 0.00 175.22 176.22 1rrp s ARG 49 N 0.05 2.67 0.66 0.44 3.00 -0.26 -0.65 118.95 124.85 1rrp s ARG 49 Ca -0.02 -0.67 -0.11 0.00 -1.00 0.00 0.00 55.73 53.93 1rrp s ARG 49 Cb -0.09 -2.44 -0.01 0.00 0.00 0.00 0.00 34.95 32.40 1rrp s ARG 49 CO 0.01 0.57 1.05 0.12 0.00 0.00 0.00 175.30 177.04 1rrp s PHE 50 N -0.58 3.37 -0.25 5.12 5.36 -0.93 -1.02 117.98 129.05 1rrp s PHE 50 Ca 0.08 1.33 -0.09 0.00 -0.96 0.00 0.00 56.93 57.29 1rrp s PHE 50 Cb -0.11 -2.82 -0.12 0.00 -0.34 0.00 0.00 43.02 39.63 1rrp s PHE 50 CO 0.01 -0.98 -0.30 -3.47 -1.46 0.00 0.00 175.22 169.02 1rrp n ASP 51 N -2.95 1.88 0.00 6.13 2.03 -1.02 -4.83 116.55 117.79 1rrp n ASP 51 Ca 0.07 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1rrp n ASP 51 Cb 0.54 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1rrp n ASP 51 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1rrp n VAL 52 N -3.90 0.00 -0.32 5.18 0.31 -1.26 -4.32 118.33 114.01 1rrp n VAL 52 Ca -0.48 0.00 0.36 0.00 -0.01 0.00 0.00 64.34 64.20 1rrp n VAL 52 Cb 0.88 0.00 0.75 0.00 -0.91 0.00 0.00 33.84 34.56 1rrp n VAL 52 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1rrp h GLU 53 N 0.00 0.00 0.00 5.55 4.57 -1.94 -3.37 114.58 119.39 1rrp h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1rrp h GLU 53 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1rrp h GLU 53 CO 0.00 0.00 0.00 -1.13 -1.18 0.00 0.00 179.01 176.70 1rrp n SER 54 N -4.12 0.00 0.00 1.04 3.41 -1.26 -5.07 113.62 107.62 1rrp n SER 54 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1rrp n SER 54 Cb 1.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1rrp n SER 54 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1rrp n LYS 55 N 0.00 0.00 -3.01 4.33 4.81 -1.26 -5.03 118.16 118.00 1rrp n LYS 55 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 1rrp n LYS 55 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1rrp n LYS 55 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1rrp s GLU 56 N 0.00 4.18 0.06 1.64 -1.05 -1.26 -4.82 118.70 117.45 1rrp s GLU 56 Ca 0.00 0.90 -0.22 0.00 -0.15 0.00 0.00 54.97 55.50 1rrp s GLU 56 Cb 0.00 -2.50 -0.06 0.00 -0.44 0.00 0.00 34.13 31.13 1rrp s GLU 56 CO 0.00 0.17 0.67 -1.58 0.95 0.00 0.00 175.26 175.47 1rrp s TRP 57 N -1.90 3.77 -0.02 4.83 0.52 -1.26 -2.43 118.94 122.45 1rrp s TRP 57 Ca 0.53 1.37 0.05 0.00 0.02 0.00 0.00 56.10 58.08 1rrp s TRP 57 Cb -0.12 -2.67 -0.03 0.00 -1.15 0.00 0.00 33.47 29.50 1rrp s TRP 57 CO 0.18 0.41 -0.17 0.15 0.02 0.00 0.00 176.95 177.54 1rrp s LYS 58 N -0.53 2.32 -0.06 4.98 1.02 -0.19 -4.97 119.74 122.32 1rrp s LYS 58 Ca 0.33 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 1rrp s LYS 58 Cb -0.20 -2.27 -0.06 0.00 -0.52 0.00 0.00 37.83 34.78 1rrp s LYS 58 CO 0.21 0.59 1.74 -2.00 -0.92 0.00 0.00 175.35 174.96 1rrp s GLU 59 N -0.93 4.10 -0.17 1.68 2.12 -1.26 -1.11 118.70 123.13 1rrp s GLU 59 Ca 0.12 2.22 0.18 0.00 0.36 0.00 0.00 54.97 57.85 1rrp s GLU 59 Cb -0.10 -4.04 -0.25 0.00 0.26 0.00 0.00 34.13 29.99 1rrp s GLU 59 CO 0.02 -0.96 0.18 -2.13 -0.54 0.00 0.00 175.26 171.83 1rrp n ARG 60 N 7.32 0.68 0.00 4.30 3.00 0.49 -4.85 116.66 127.60 1rrp n ARG 60 Ca 0.18 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 1rrp n ARG 60 Cb 0.43 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.33 1rrp n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rrp n GLY 61 N 1.69 1.20 2.86 5.14 0.00 -0.81 -4.94 105.19 110.34 1rrp n GLY 61 Ca -0.29 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 1rrp n GLY 61 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1rrp s ILE 62 N -2.00 0.67 -2.70 -0.61 1.10 -1.26 0.13 121.20 116.53 1rrp s ILE 62 Ca 0.00 -0.11 0.00 0.00 -0.51 0.00 0.00 60.65 60.03 1rrp s ILE 62 Cb 0.00 -0.73 0.00 0.00 0.15 0.00 0.00 42.46 41.88 1rrp s ILE 62 CO 0.00 0.29 0.00 0.61 -2.11 0.00 0.00 174.94 173.73 1rrp n GLY 63 N 4.69 -0.59 3.55 1.50 0.00 -0.41 -1.65 105.19 112.28 1rrp n GLY 63 Ca -0.15 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 1rrp n GLY 63 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rrp s ASN 64 N -4.00 5.94 -0.17 1.61 0.01 -1.19 0.19 114.94 117.33 1rrp s ASN 64 Ca 0.00 -0.19 -0.25 0.00 -0.71 0.00 0.00 52.86 51.71 1rrp s ASN 64 Cb 0.00 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.54 1rrp s ASN 64 CO 0.00 -0.12 0.82 0.68 -1.51 0.00 0.00 177.10 176.98 1rrp s VAL 65 N 1.73 4.89 0.28 1.60 -7.23 0.19 -3.33 120.40 118.52 1rrp s VAL 65 Ca 0.06 1.62 0.10 0.00 -1.81 0.00 0.00 61.98 61.95 1rrp s VAL 65 Cb -0.16 -4.13 -0.04 0.00 0.56 0.00 0.00 36.38 32.60 1rrp s VAL 65 CO 0.10 0.03 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.37 1rrp s LYS 66 N 2.11 2.22 -0.37 4.82 1.02 -0.09 -2.25 119.74 127.19 1rrp s LYS 66 Ca 0.38 -1.49 0.01 0.00 0.02 0.00 0.00 55.97 54.89 1rrp s LYS 66 Cb -0.17 -2.10 0.12 0.00 -0.52 0.00 0.00 37.83 35.16 1rrp s LYS 66 CO 0.12 0.33 0.15 0.42 -0.92 0.00 0.00 175.35 175.46 1rrp s ILE 67 N -2.36 1.19 -0.18 2.17 1.01 -0.55 -2.45 121.20 120.02 1rrp s ILE 67 Ca 0.32 -1.96 -0.08 0.00 0.00 0.00 0.00 60.65 58.93 1rrp s ILE 67 Cb -0.06 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1rrp s ILE 67 CO 0.19 -0.77 0.08 -0.76 0.00 0.00 0.00 174.94 173.69 1rrp s LEU 68 N 1.03 3.96 -0.16 2.97 1.43 -0.83 -0.43 118.68 126.65 1rrp s LEU 68 Ca 0.13 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1rrp s LEU 68 Cb -0.21 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1rrp s LEU 68 CO -0.13 0.21 -0.03 0.00 0.23 0.00 0.00 176.35 176.63 1rrp s ARG 69 N 0.18 3.68 0.50 1.70 1.04 -1.22 -0.11 118.95 124.72 1rrp s ARG 69 Ca 0.06 -0.51 -0.23 0.00 -1.04 0.00 0.00 55.73 54.01 1rrp s ARG 69 Cb -0.12 -2.95 -0.07 0.00 -2.04 0.00 0.00 34.95 29.78 1rrp s ARG 69 CO -0.00 0.22 1.35 1.58 -0.04 0.00 0.00 175.30 178.41 1rrp n HIS 70 N 3.61 2.33 -0.08 5.89 -0.00 -1.15 -2.44 115.22 123.38 1rrp n HIS 70 Ca -0.17 0.44 -0.13 0.00 -0.00 0.00 0.00 57.72 57.86 1rrp n HIS 70 Cb 0.52 -2.38 -0.05 0.00 -0.00 0.00 0.00 29.99 28.08 1rrp n HIS 70 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1rrp h LYS 71 N 1.75 0.52 0.00 1.57 1.57 -1.03 -2.99 116.57 117.97 1rrp h LYS 71 Ca -0.50 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.02 1rrp h LYS 71 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1rrp h LYS 71 CO 0.58 0.83 0.00 2.41 -0.57 0.00 0.00 179.45 182.71 1rrp n THR 72 N -4.44 0.00 -0.42 -0.16 -1.04 -1.26 -4.50 114.28 102.46 1rrp n THR 72 Ca -0.05 0.00 0.34 0.00 -2.04 0.00 0.00 64.05 62.30 1rrp n THR 72 Cb 0.39 -0.23 0.62 0.00 -1.82 0.00 0.00 70.33 69.29 1rrp n THR 72 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1rrp h SER 73 N 0.00 0.29 -0.10 8.00 4.64 -1.93 -3.44 113.55 121.01 1rrp h SER 73 Ca 0.00 0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 1rrp h SER 73 Cb 0.00 0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1rrp h SER 73 CO 0.00 -0.18 -0.04 0.61 -0.87 0.00 0.00 176.83 176.36 1rrp n GLY 74 N -1.48 0.55 3.57 -0.77 0.00 -1.13 -4.95 105.19 100.98 1rrp n GLY 74 Ca 0.36 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1rrp n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rrp s LYS 75 N -1.77 3.56 -0.05 1.61 1.02 -1.26 -4.41 119.74 118.44 1rrp s LYS 75 Ca 0.00 0.21 -0.30 0.00 0.02 0.00 0.00 55.97 55.91 1rrp s LYS 75 Cb 0.00 -3.93 -0.03 0.00 -0.52 0.00 0.00 37.83 33.35 1rrp s LYS 75 CO 0.00 -1.27 1.08 0.42 -0.92 0.00 0.00 175.35 174.67 1rrp s ILE 76 N 3.90 4.55 0.39 2.17 1.01 -1.25 -2.95 121.20 129.02 1rrp s ILE 76 Ca 0.39 1.84 0.04 0.00 0.00 0.00 0.00 60.65 62.92 1rrp s ILE 76 Cb -0.10 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1rrp s ILE 76 CO 0.27 0.05 0.06 0.00 0.00 0.00 0.00 174.94 175.32 1rrp s ARG 77 N 1.76 1.86 -0.31 2.79 1.70 0.84 -1.76 118.95 125.82 1rrp s ARG 77 Ca 0.53 -2.09 0.03 0.00 -0.47 0.00 0.00 55.73 53.72 1rrp s ARG 77 Cb -0.22 -1.05 0.09 0.00 -0.57 0.00 0.00 34.95 33.19 1rrp s ARG 77 CO 0.22 -0.26 0.02 -1.17 -1.08 0.00 0.00 175.30 173.04 1rrp s LEU 78 N -3.62 3.99 -0.23 -1.89 0.20 0.56 -1.96 118.68 115.73 1rrp s LEU 78 Ca 0.28 -1.86 -0.07 0.00 0.69 0.00 0.00 54.13 53.17 1rrp s LEU 78 Cb 0.06 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.32 1rrp s LEU 78 CO 0.14 -0.34 0.05 -0.22 -0.29 0.00 0.00 176.35 175.69 1rrp s LEU 79 N 1.08 3.45 0.07 -0.68 2.96 -1.03 -2.80 118.68 121.73 1rrp s LEU 79 Ca 0.06 -0.17 0.10 0.00 -0.22 0.00 0.00 54.13 53.90 1rrp s LEU 79 Cb -0.19 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1rrp s LEU 79 CO -0.10 0.02 -0.26 -0.32 -1.32 0.00 0.00 176.35 174.37 1rrp s MET 80 N 1.30 1.71 0.09 1.98 -2.45 -0.87 -0.91 119.30 120.14 1rrp s MET 80 Ca 0.05 -1.17 0.02 0.00 -1.25 0.00 0.00 55.69 53.34 1rrp s MET 80 Cb -0.15 -1.96 -0.04 0.00 1.25 0.00 0.00 34.83 33.93 1rrp s MET 80 CO 0.03 0.50 -0.07 0.50 1.05 0.00 0.00 175.02 177.03 1rrp s ARG 81 N -1.44 0.78 -0.13 4.11 3.52 -1.21 -0.71 118.95 123.86 1rrp s ARG 81 Ca 0.12 -1.22 -0.08 0.00 -0.13 0.00 0.00 55.73 54.42 1rrp s ARG 81 Cb -0.10 -0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.02 1rrp s ARG 81 CO 0.03 -0.00 0.16 1.03 -0.81 0.00 0.00 175.30 175.70 1rrp s ARG 82 N -3.39 3.67 1.12 5.12 0.52 -0.26 -3.16 118.95 122.58 1rrp s ARG 82 Ca 0.08 -0.12 -0.15 0.00 -0.52 0.00 0.00 55.73 55.02 1rrp s ARG 82 Cb 0.02 -3.25 0.25 0.00 0.52 0.00 0.00 34.95 32.49 1rrp s ARG 82 CO -0.04 0.64 1.07 -1.83 0.02 0.00 0.00 175.30 175.16 1rrp s GLU 83 N -0.65 -0.58 0.00 3.54 -1.05 -0.66 0.33 118.70 119.63 1rrp s GLU 83 Ca 0.14 0.41 0.00 0.00 -0.15 0.00 0.00 54.97 55.37 1rrp s GLU 83 Cb -0.12 -1.63 0.00 0.00 -0.44 0.00 0.00 34.13 31.94 1rrp s GLU 83 CO 0.03 -3.39 0.00 1.04 0.95 0.00 0.00 175.26 173.89 1rrp n GLN 84 N -4.62 0.00 -0.01 -4.83 6.02 -1.26 -3.38 117.38 109.30 1rrp n GLN 84 Ca 0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.03 1rrp n GLN 84 Cb 0.57 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.71 1rrp n GLN 84 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1rrp n VAL 85 N 0.00 1.14 -2.72 5.09 3.14 -1.26 -5.05 118.33 118.67 1rrp n VAL 85 Ca 0.00 -0.72 -0.01 0.00 -2.96 0.00 0.00 64.34 60.65 1rrp n VAL 85 Cb 0.00 -0.62 -0.01 0.00 -1.06 0.00 0.00 33.84 32.16 1rrp n VAL 85 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1rrp n LEU 86 N -2.80 -7.65 -3.78 6.55 4.77 0.15 -5.02 117.00 109.22 1rrp n LEU 86 Ca -0.16 1.52 -0.13 0.00 -0.03 0.00 0.00 56.01 57.22 1rrp n LEU 86 Cb 0.91 -3.29 -0.12 0.00 -2.33 0.00 0.00 43.42 38.59 1rrp n LEU 86 CO 0.44 -3.29 -0.10 -0.54 -1.33 0.00 0.00 177.39 172.57 1rrp s LYS 87 N -1.49 0.27 0.61 3.23 -0.14 -1.21 -4.86 119.74 116.14 1rrp s LYS 87 Ca -0.04 0.37 -0.19 0.00 -1.36 0.00 0.00 55.97 54.75 1rrp s LYS 87 Cb 0.00 0.09 -0.02 0.00 -1.68 0.00 0.00 37.83 36.22 1rrp s LYS 87 CO 0.76 -0.06 1.29 0.42 -0.76 0.00 0.00 175.35 177.00 1rrp s ILE 88 N 0.33 2.17 0.00 2.17 1.01 -1.26 -1.10 121.20 124.52 1rrp s ILE 88 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1rrp s ILE 88 Cb -0.03 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1rrp s ILE 88 CO -0.01 -0.02 0.77 0.00 0.00 0.00 0.00 174.94 175.68 1rrp s ALA 90 N 0.00 -2.26 0.00 0.00 0.00 -1.20 -4.84 121.76 113.46 1rrp s ALA 90 Ca 0.00 1.83 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1rrp s ALA 90 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1rrp s ALA 90 CO 0.00 -0.19 0.00 -1.71 0.00 0.00 0.00 175.76 173.86 1rrp n ASN 91 N 2.22 0.00 -4.52 0.00 4.05 -1.12 -2.05 115.26 113.85 1rrp n ASN 91 Ca -0.13 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.58 1rrp n ASN 91 Cb 0.57 0.00 0.16 0.00 1.23 0.00 0.00 39.78 41.73 1rrp n ASN 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1rrp n HIS 92 N 0.00 -0.48 -3.39 1.20 1.44 -1.25 -4.50 115.22 108.25 1rrp n HIS 92 Ca 0.00 0.26 -0.38 0.00 -2.01 0.00 0.00 57.72 55.59 1rrp n HIS 92 Cb 0.00 -1.85 -0.06 0.00 0.12 0.00 0.00 29.99 28.20 1rrp n HIS 92 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1rrp s TYR 93 N -2.49 3.63 0.22 -1.40 2.02 -1.26 -0.32 117.35 117.75 1rrp s TYR 93 Ca 0.62 0.96 -0.30 0.00 -0.37 0.00 0.00 57.07 57.98 1rrp s TYR 93 Cb -0.22 -2.44 -0.10 0.00 -0.40 0.00 0.00 41.96 38.81 1rrp s TYR 93 CO 0.63 0.40 1.43 0.42 -1.57 0.00 0.00 175.55 176.86 1rrp s ILE 94 N -0.24 2.79 0.25 2.71 1.01 -0.72 -4.89 121.20 122.13 1rrp s ILE 94 Ca 0.25 0.65 0.09 0.00 0.00 0.00 0.00 60.65 61.63 1rrp s ILE 94 Cb -0.16 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 1rrp s ILE 94 CO 0.12 0.09 -0.14 -0.55 0.00 0.00 0.00 174.94 174.47 1rrp s SER 95 N 0.49 3.00 0.00 3.58 0.15 -1.26 -4.89 113.70 114.77 1rrp s SER 95 Ca 0.60 -1.08 0.22 0.00 0.70 0.00 0.00 55.95 56.40 1rrp s SER 95 Cb -0.41 -0.21 1.03 0.00 -1.71 0.00 0.00 66.02 64.72 1rrp s SER 95 CO 0.40 -0.15 1.72 -2.65 1.20 0.00 0.00 173.24 173.76 1rrp n PRO 96 N -0.53 0.14 0.05 5.44 -0.02 -1.26 -2.66 135.00 136.17 1rrp n PRO 96 Ca -0.06 0.10 -0.10 0.00 -2.02 0.00 0.00 63.50 61.42 1rrp n PRO 96 Cb 0.61 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.46 1rrp n PRO 96 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1rrp h ASP 97 N 0.00 0.12 -2.87 2.55 5.19 -2.00 -3.45 116.42 115.95 1rrp h ASP 97 Ca 0.00 -0.15 -0.53 0.00 -0.62 0.00 0.00 57.03 55.73 1rrp h ASP 97 Cb 0.30 -0.04 0.02 0.00 0.18 0.00 0.00 39.33 39.80 1rrp h ASP 97 CO 0.00 1.12 0.84 -0.04 -3.12 0.00 0.00 179.24 178.04 1rrp s MET 98 N -2.67 4.26 -0.23 3.56 -1.94 -1.09 -5.01 119.30 116.20 1rrp s MET 98 Ca -0.02 2.16 0.00 0.00 -1.71 0.00 0.00 55.69 56.12 1rrp s MET 98 Cb 0.09 -3.39 0.06 0.00 2.01 0.00 0.00 34.83 33.60 1rrp s MET 98 CO 0.83 -0.57 -0.04 0.21 -0.01 0.00 0.00 175.02 175.44 1rrp s LYS 99 N 1.76 1.50 -0.96 2.03 2.20 -1.26 -4.91 119.74 120.10 1rrp s LYS 99 Ca 0.68 -0.91 -0.24 0.00 -0.36 0.00 0.00 55.97 55.13 1rrp s LYS 99 Cb -0.38 -2.52 -0.03 0.00 -1.51 0.00 0.00 37.83 33.39 1rrp s LYS 99 CO 0.30 -0.60 1.85 -0.51 -0.36 0.00 0.00 175.35 176.03 1rrp s LEU 100 N 1.45 3.23 0.41 5.43 1.43 -1.26 -4.60 118.68 124.78 1rrp s LEU 100 Ca -0.05 -0.95 -0.19 0.00 -1.03 0.00 0.00 54.13 51.92 1rrp s LEU 100 Cb -0.19 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.37 1rrp s LEU 100 CO -0.06 -2.51 0.89 0.42 0.23 0.00 0.00 176.35 175.32 1rrp s THR 101 N 9.08 4.50 0.00 5.49 -4.23 -1.06 -4.86 115.64 124.56 1rrp s THR 101 Ca 0.65 1.29 0.00 0.00 -1.18 0.00 0.00 61.69 62.45 1rrp s THR 101 Cb -0.05 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1rrp s THR 101 CO -0.01 -0.32 0.00 -2.65 -0.54 0.00 0.00 174.62 171.10 1rrp n PRO 102 N -0.67 0.00 0.00 3.99 -0.02 -1.26 -1.52 135.00 135.52 1rrp n PRO 102 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1rrp n PRO 102 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 1rrp n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1rrp n ASN 103 N 0.00 0.00 -2.60 2.55 5.15 -1.26 -2.88 115.26 116.22 1rrp n ASN 103 Ca 0.00 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.79 1rrp n ASN 103 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1rrp n ASN 103 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rrp n ALA 104 N 0.00 -0.76 -0.44 5.20 0.00 -1.26 -0.40 120.51 122.85 1rrp n ALA 104 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1rrp n ALA 104 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.07 1rrp n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rrp n GLY 105 N -1.07 1.33 3.56 0.00 0.00 -1.26 -4.90 105.19 102.85 1rrp n GLY 105 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1rrp n GLY 105 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rrp n SER 106 N 0.00 1.60 -0.67 1.61 2.88 0.46 -4.74 113.62 114.75 1rrp n SER 106 Ca 0.00 -1.61 0.00 0.00 -1.33 0.00 0.00 58.87 55.93 1rrp n SER 106 Cb 0.00 -1.63 0.00 0.00 -0.75 0.00 0.00 64.21 61.83 1rrp n SER 106 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1rrp n ASP 107 N 18.44 0.90 0.00 -3.46 5.68 -1.26 -1.76 116.55 135.10 1rrp n ASP 107 Ca 0.47 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.69 1rrp n ASP 107 Cb 0.43 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1rrp n ASP 107 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1rrp n ARG 108 N 0.41 -0.29 -3.65 0.11 1.74 -1.26 -4.43 116.66 109.28 1rrp n ARG 108 Ca 0.00 -0.38 -0.15 0.00 -0.77 0.00 0.00 57.85 56.55 1rrp n ARG 108 Cb 0.18 -0.79 -0.07 0.00 -1.02 0.00 0.00 32.46 30.76 1rrp n ARG 108 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1rrp s SER 109 N -0.07 -0.38 0.19 0.55 1.04 -0.72 0.21 113.70 114.52 1rrp s SER 109 Ca 0.00 0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.75 1rrp s SER 109 Cb 0.00 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 1rrp s SER 109 CO 0.00 -0.55 0.02 -0.36 0.98 0.00 0.00 173.24 173.33 1rrp s PHE 110 N -1.49 1.27 -0.02 5.02 0.08 -0.06 -4.15 117.98 118.63 1rrp s PHE 110 Ca -0.11 -1.04 0.03 0.00 0.12 0.00 0.00 56.93 55.92 1rrp s PHE 110 Cb -0.03 -0.72 -0.00 0.00 -0.57 0.00 0.00 43.02 41.70 1rrp s PHE 110 CO 0.05 -0.23 -0.10 0.54 -0.10 0.00 0.00 175.22 175.38 1rrp s VAL 111 N -3.67 0.85 0.09 -0.44 0.11 -0.57 -0.36 120.40 116.40 1rrp s VAL 111 Ca 0.26 -0.44 -0.15 0.00 -2.93 0.00 0.00 61.98 58.72 1rrp s VAL 111 Cb 0.06 -0.73 0.03 0.00 -1.53 0.00 0.00 36.38 34.21 1rrp s VAL 111 CO 0.06 0.25 0.36 -1.66 -3.33 0.00 0.00 175.10 170.78 1rrp s TRP 112 N -0.09 -0.16 -0.01 1.54 -2.14 -0.73 -2.55 118.94 114.79 1rrp s TRP 112 Ca 0.01 -0.06 -0.04 0.00 2.66 0.00 0.00 56.10 58.67 1rrp s TRP 112 Cb -0.06 0.18 -0.04 0.00 -3.10 0.00 0.00 33.47 30.45 1rrp s TRP 112 CO -0.00 -0.62 0.21 -1.58 -2.66 0.00 0.00 176.95 172.30 1rrp s HIS 113 N -3.26 3.56 -0.20 1.66 5.65 -1.26 0.05 115.29 121.49 1rrp s HIS 113 Ca -0.00 0.44 -0.23 0.00 0.25 0.00 0.00 55.06 55.52 1rrp s HIS 113 Cb 0.01 -1.89 0.06 0.00 -1.18 0.00 0.00 32.58 29.58 1rrp s HIS 113 CO -0.08 0.64 0.62 0.00 -0.65 0.00 0.00 174.74 175.27 1rrp s ALA 114 N -1.30 -1.54 -1.42 1.58 0.00 -0.72 -4.82 121.76 113.54 1rrp s ALA 114 Ca 0.26 1.65 -0.11 0.00 0.00 0.00 0.00 51.96 53.77 1rrp s ALA 114 Cb -0.13 -0.86 0.07 0.00 0.00 0.00 0.00 23.12 22.20 1rrp s ALA 114 CO 0.17 -0.30 2.26 -0.11 0.00 0.00 0.00 175.76 177.78 1rrp n LEU 115 N 2.46 7.27 -4.62 0.00 -0.00 -1.26 -2.05 117.00 118.80 1rrp n LEU 115 Ca -0.15 -4.42 -0.32 0.00 -0.00 0.00 0.00 56.01 51.12 1rrp n LEU 115 Cb 0.56 -1.55 0.16 0.00 -0.00 0.00 0.00 43.42 42.58 1rrp n LEU 115 CO 0.09 1.47 0.52 -0.67 -0.00 0.00 0.00 177.39 178.80 1rrp n ASP 116 N 4.47 -0.13 -0.35 1.96 2.03 -0.79 -4.56 116.55 119.18 1rrp n ASP 116 Ca 0.54 0.42 0.03 0.00 0.52 0.00 0.00 54.79 56.30 1rrp n ASP 116 Cb 0.34 -1.42 0.04 0.00 -0.72 0.00 0.00 41.12 39.36 1rrp n ASP 116 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rrp n TYR 117 N -4.03 0.00 -0.33 -0.67 9.36 -1.26 -1.13 117.16 119.10 1rrp n TYR 117 Ca 0.11 -0.31 0.33 0.00 3.32 0.00 0.00 57.90 61.36 1rrp n TYR 117 Cb 0.52 -0.08 0.71 0.00 -0.63 0.00 0.00 39.34 39.86 1rrp n TYR 117 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1rrp h ALA 118 N 0.00 2.98 -0.34 2.98 0.00 -1.85 0.62 119.26 123.65 1rrp h ALA 118 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rrp h ALA 118 Cb 1.26 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1rrp h ALA 118 CO 0.00 -1.33 0.00 -0.25 0.00 0.00 0.00 179.25 177.67 1rrp n ASP 119 N -4.26 2.93 -1.35 0.00 8.00 -1.26 -4.67 116.55 115.93 1rrp n ASP 119 Ca 0.26 -1.92 -0.11 0.00 0.71 0.00 0.00 54.79 53.73 1rrp n ASP 119 Cb 1.20 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 1rrp n ASP 119 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rrp n GLU 120 N 1.14 -1.36 -3.68 -1.24 1.02 0.22 -5.00 120.64 111.74 1rrp n GLU 120 Ca 0.18 0.50 -0.09 0.00 -0.02 0.00 0.00 57.16 57.74 1rrp n GLU 120 Cb 0.52 -4.55 -0.10 0.00 -0.02 0.00 0.00 31.44 27.29 1rrp n GLU 120 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1rrp s LEU 121 N -3.25 -0.40 0.00 -4.62 1.43 -1.26 -5.12 118.68 105.47 1rrp s LEU 121 Ca 0.05 1.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.87 1rrp s LEU 121 Cb -0.02 1.51 -0.06 0.00 0.03 0.00 0.00 46.19 47.64 1rrp s LEU 121 CO 0.06 -0.21 1.58 -2.16 0.23 0.00 0.00 176.35 175.84 1rrp s PRO 122 N 1.85 4.22 -0.04 1.29 0.04 -1.26 -4.48 135.00 136.62 1rrp s PRO 122 Ca -0.07 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1rrp s PRO 122 Cb -0.09 -3.73 0.03 0.00 0.04 0.00 0.00 34.50 30.74 1rrp s PRO 122 CO -0.14 -0.73 -0.01 0.15 0.04 0.00 0.00 177.00 176.32 1rrp s LYS 123 N 3.08 0.42 -1.29 4.56 1.02 -0.29 -5.00 119.74 122.25 1rrp s LYS 123 Ca 0.71 0.06 -0.18 0.00 0.02 0.00 0.00 55.97 56.58 1rrp s LYS 123 Cb -0.35 -0.61 0.08 0.00 -0.52 0.00 0.00 37.83 36.43 1rrp s LYS 123 CO 0.29 -0.15 1.71 -1.25 -0.92 0.00 0.00 175.35 175.03 1rrp s PRO 124 N 1.15 4.00 0.13 -1.68 0.04 -1.26 -1.89 135.00 135.50 1rrp s PRO 124 Ca -0.08 -2.06 -0.10 0.00 0.04 0.00 0.00 61.00 58.80 1rrp s PRO 124 Cb -0.13 -5.49 -0.06 0.00 0.04 0.00 0.00 34.50 28.86 1rrp s PRO 124 CO -0.02 -2.20 0.46 -1.21 0.04 0.00 0.00 177.00 174.07 1rrp s GLU 125 N 3.93 3.80 -0.15 4.56 2.02 -0.87 -4.87 118.70 127.13 1rrp s GLU 125 Ca 0.53 0.24 -0.14 0.00 0.02 0.00 0.00 54.97 55.62 1rrp s GLU 125 Cb 0.03 -2.90 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 1rrp s GLU 125 CO 0.07 0.48 0.30 -0.65 0.02 0.00 0.00 175.26 175.49 1rrp s GLN 126 N -2.19 4.22 0.37 1.61 -0.21 -1.26 -1.75 119.66 120.45 1rrp s GLN 126 Ca 0.38 0.12 0.08 0.00 0.02 0.00 0.00 55.36 55.97 1rrp s GLN 126 Cb -0.13 -3.41 -0.06 0.00 1.00 0.00 0.00 33.01 30.41 1rrp s GLN 126 CO 0.20 0.27 0.06 -0.51 -2.12 0.00 0.00 175.29 173.18 1rrp s LEU 127 N 0.36 3.00 -0.11 2.90 1.43 0.11 -2.18 118.68 124.19 1rrp s LEU 127 Ca 0.17 -1.08 -0.08 0.00 -1.03 0.00 0.00 54.13 52.11 1rrp s LEU 127 Cb -0.13 -1.30 0.04 0.00 0.03 0.00 0.00 46.19 44.83 1rrp s LEU 127 CO 0.05 -0.36 0.28 0.00 0.23 0.00 0.00 176.35 176.55 1rrp s ALA 128 N -2.57 -0.68 -0.05 4.21 0.00 0.17 -1.77 121.76 121.07 1rrp s ALA 128 Ca 0.37 0.92 0.03 0.00 0.00 0.00 0.00 51.96 53.27 1rrp s ALA 128 Cb 0.03 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1rrp s ALA 128 CO 0.20 -0.17 -0.12 -1.50 0.00 0.00 0.00 175.76 174.17 1rrp s ILE 129 N 0.62 1.09 -0.04 0.00 1.10 0.51 0.67 121.20 125.15 1rrp s ILE 129 Ca -0.04 -0.47 0.06 0.00 -0.51 0.00 0.00 60.65 59.68 1rrp s ILE 129 Cb -0.05 -0.98 -0.01 0.00 0.15 0.00 0.00 42.46 41.56 1rrp s ILE 129 CO -0.04 0.34 -0.21 -0.60 -2.11 0.00 0.00 174.94 172.33 1rrp s ARG 130 N 0.51 1.94 0.07 3.50 3.52 -0.26 -0.89 118.95 127.34 1rrp s ARG 130 Ca -0.11 -0.73 0.05 0.00 -0.13 0.00 0.00 55.73 54.80 1rrp s ARG 130 Cb -0.14 -1.74 -0.04 0.00 -1.56 0.00 0.00 34.95 31.48 1rrp s ARG 130 CO 0.03 0.36 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.77 1rrp s PHE 131 N -0.21 2.90 0.21 5.12 0.08 0.57 -2.24 117.98 124.42 1rrp s PHE 131 Ca 0.01 -0.06 -0.10 0.00 0.12 0.00 0.00 56.93 56.89 1rrp s PHE 131 Cb -0.11 -1.53 0.29 0.00 -0.57 0.00 0.00 43.02 41.10 1rrp s PHE 131 CO 0.01 0.44 1.68 -0.22 -0.10 0.00 0.00 175.22 177.04 1rrp h LYS 132 N 3.79 0.17 -5.32 0.44 1.63 -1.86 -3.44 116.57 111.97 1rrp h LYS 132 Ca -0.48 -0.01 -0.55 0.00 -0.85 0.00 0.00 60.65 58.75 1rrp h LYS 132 Cb 1.17 -0.04 -0.13 0.00 -0.60 0.00 0.00 32.23 32.62 1rrp h LYS 132 CO 0.56 0.12 -0.58 0.95 -3.45 0.00 0.00 179.45 177.04 1rrp s THR 133 N -6.13 1.34 0.06 1.00 -4.23 -1.26 -5.06 115.64 101.36 1rrp s THR 133 Ca -0.13 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.27 1rrp s THR 133 Cb 0.18 -2.71 -0.30 0.00 1.34 0.00 0.00 72.50 71.01 1rrp s THR 133 CO 0.74 0.00 1.10 1.55 -0.54 0.00 0.00 174.62 177.47 1rrp h PRO 134 N 1.88 0.48 -0.73 3.99 0.13 -1.85 -3.00 132.00 132.90 1rrp h PRO 134 Ca -0.41 -0.73 0.14 0.00 -0.87 0.00 0.00 66.00 64.13 1rrp h PRO 134 Cb 1.26 0.26 -0.09 0.00 0.13 0.00 0.00 31.00 32.55 1rrp h PRO 134 CO 0.72 1.33 0.27 0.93 -0.23 0.00 0.00 178.00 181.02 1rrp h GLU 135 N 0.18 0.41 -0.70 0.86 3.07 -1.97 0.67 114.58 117.08 1rrp h GLU 135 Ca -0.19 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.58 1rrp h GLU 135 Cb 1.98 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 29.77 1rrp h GLU 135 CO 0.23 0.27 0.16 0.93 -1.40 0.00 0.00 179.01 179.20 1rrp h GLU 136 N 0.42 1.14 0.11 2.33 5.08 -1.96 0.05 114.58 121.74 1rrp h GLU 136 Ca 0.40 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1rrp h GLU 136 Cb 0.59 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1rrp h GLU 136 CO -0.40 1.01 -0.05 0.00 -1.00 0.00 0.00 179.01 178.57 1rrp h ALA 137 N 1.08 -0.14 -0.62 3.43 0.00 -0.82 -1.27 119.26 120.91 1rrp h ALA 137 Ca 0.22 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1rrp h ALA 137 Cb 0.39 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 1rrp h ALA 137 CO 0.01 -0.42 0.08 0.00 0.00 0.00 0.00 179.25 178.91 1rrp h ALA 138 N 0.40 0.69 -0.54 0.00 0.00 0.39 0.49 119.26 120.69 1rrp h ALA 138 Ca -0.01 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1rrp h ALA 138 Cb 0.37 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1rrp h ALA 138 CO 0.02 -0.35 0.26 1.25 0.00 0.00 0.00 179.25 180.44 1rrp h LEU 139 N 0.20 0.71 -0.34 0.00 5.85 -0.89 0.82 115.31 121.65 1rrp h LEU 139 Ca 0.33 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1rrp h LEU 139 Cb 0.51 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1rrp h LEU 139 CO -0.46 0.64 0.21 0.15 -0.34 0.00 0.00 178.44 178.64 1rrp h PHE 140 N 0.73 0.39 0.38 1.25 3.57 0.19 -0.46 116.94 123.00 1rrp h PHE 140 Ca 0.19 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1rrp h PHE 140 Cb 0.12 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1rrp h PHE 140 CO -0.00 0.24 -0.51 -0.22 -2.23 0.00 0.00 178.31 175.58 1rrp h LYS 141 N 0.43 -0.89 0.00 1.11 3.64 0.38 0.22 116.57 121.45 1rrp h LYS 141 Ca 0.13 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1rrp h LYS 141 Cb -0.01 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1rrp h LYS 141 CO -0.05 -0.60 0.00 0.00 -2.27 0.00 0.00 179.45 176.53 1rrp h LYS 143 N 0.00 0.03 0.27 0.00 1.79 -1.12 0.69 116.57 118.24 1rrp h LYS 143 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1rrp h LYS 143 Cb 0.00 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1rrp h LYS 143 CO 0.00 0.02 -0.27 0.35 -1.08 0.00 0.00 179.45 178.47 1rrp h PHE 144 N 0.03 -0.72 -0.54 -1.35 3.57 -0.08 -0.82 116.94 117.03 1rrp h PHE 144 Ca 0.74 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 62.15 1rrp h PHE 144 Cb 1.78 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.78 1rrp h PHE 144 CO -0.21 -0.39 -0.02 0.93 -2.23 0.00 0.00 178.31 176.39 1rrp h GLU 145 N -0.57 0.95 -0.19 1.11 5.08 0.16 -1.74 114.58 119.38 1rrp h GLU 145 Ca -0.01 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 1rrp h GLU 145 Cb 0.53 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1rrp h GLU 145 CO -0.06 0.95 0.16 1.49 -1.00 0.00 0.00 179.01 180.55 1rrp h GLU 146 N 0.87 0.00 -0.00 2.33 4.81 0.40 0.61 114.58 123.60 1rrp h GLU 146 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1rrp h GLU 146 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1rrp h GLU 146 CO 0.03 0.00 -0.02 0.00 -0.73 0.00 0.00 179.01 178.29 1rrp n ALA 147 N -2.47 2.61 -0.05 2.92 0.00 -0.34 -2.38 120.51 120.80 1rrp n ALA 147 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 1rrp n ALA 147 Cb 0.29 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 1rrp n ALA 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rrp n GLN 148 N -1.07 0.94 0.00 0.00 6.02 0.19 -4.12 117.38 119.34 1rrp n GLN 148 Ca 0.18 -0.07 0.05 0.00 -0.01 0.00 0.00 57.00 57.14 1rrp n GLN 148 Cb 0.20 -1.44 0.27 0.00 1.02 0.00 0.00 30.24 30.29 1rrp n GLN 148 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1rrp n SER 149 N -2.43 0.00 -0.17 1.08 7.64 -0.08 -4.97 113.62 114.70 1rrp n SER 149 Ca -0.18 -0.14 0.02 0.00 1.01 0.00 0.00 58.87 59.58 1rrp n SER 149 Cb 0.82 -0.10 0.02 0.00 -1.01 0.00 0.00 64.21 63.93 1rrp n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65