#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrp s VAL 9 N 0.00 3.16 0.03 1.69 1.01 -1.26 -5.08 120.40 119.95 1rrp s VAL 9 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1rrp s VAL 9 Cb 0.00 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1rrp s VAL 9 CO 0.00 0.16 -0.08 -1.10 0.00 0.00 0.00 175.10 174.08 1rrp s GLN 10 N 1.37 0.53 0.01 2.72 -0.21 -1.26 0.18 119.66 123.00 1rrp s GLN 10 Ca 0.01 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 54.74 1rrp s GLN 10 Cb -0.17 -0.35 -0.01 0.00 1.00 0.00 0.00 33.01 33.48 1rrp s GLN 10 CO -0.03 0.07 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.11 1rrp s PHE 11 N -1.13 0.40 -0.28 0.91 0.08 -0.77 -4.99 117.98 112.20 1rrp s PHE 11 Ca -0.07 -0.26 -0.22 0.00 0.12 0.00 0.00 56.93 56.50 1rrp s PHE 11 Cb -0.08 -0.25 -0.01 0.00 -0.57 0.00 0.00 43.02 42.10 1rrp s PHE 11 CO 0.00 -0.06 0.71 0.21 -0.10 0.00 0.00 175.22 175.98 1rrp s LYS 12 N -0.74 4.05 -0.22 0.44 2.20 -1.26 -0.32 119.74 123.88 1rrp s LYS 12 Ca -0.05 0.58 0.01 0.00 -0.36 0.00 0.00 55.97 56.15 1rrp s LYS 12 Cb -0.05 -3.68 0.03 0.00 -1.51 0.00 0.00 37.83 32.62 1rrp s LYS 12 CO -0.00 -0.53 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.15 1rrp s LEU 13 N 2.70 2.77 -0.33 5.43 2.96 0.19 -1.64 118.68 130.77 1rrp s LEU 13 Ca 0.29 -0.93 -0.12 0.00 -0.22 0.00 0.00 54.13 53.15 1rrp s LEU 13 Cb -0.15 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1rrp s LEU 13 CO 0.10 -0.09 0.21 0.68 -1.32 0.00 0.00 176.35 175.93 1rrp s VAL 14 N 1.24 5.07 -0.38 1.68 -7.23 -0.84 0.12 120.40 120.07 1rrp s VAL 14 Ca -0.00 -0.27 -0.17 0.00 -1.81 0.00 0.00 61.98 59.73 1rrp s VAL 14 Cb -0.16 -3.59 0.00 0.00 0.56 0.00 0.00 36.38 33.19 1rrp s VAL 14 CO -0.09 0.02 0.45 -0.22 -0.31 0.00 0.00 175.10 174.96 1rrp s LEU 15 N 1.69 4.56 0.24 1.32 2.96 -0.87 -2.64 118.68 125.94 1rrp s LEU 15 Ca 0.06 -0.34 0.11 0.00 -0.22 0.00 0.00 54.13 53.74 1rrp s LEU 15 Cb -0.17 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 1rrp s LEU 15 CO 0.09 -0.50 -0.19 0.68 -1.32 0.00 0.00 176.35 175.11 1rrp s VAL 16 N 2.23 2.23 0.00 1.68 -7.23 -1.06 -2.54 120.40 115.72 1rrp s VAL 16 Ca 0.15 -2.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 1rrp s VAL 16 Cb -0.16 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1rrp s VAL 16 CO 0.13 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1rrp n GLY 17 N -0.34 4.37 3.54 2.32 0.00 -1.26 -1.42 105.19 112.40 1rrp n GLY 17 Ca -0.08 -0.98 -0.57 0.00 0.00 0.00 0.00 46.02 44.40 1rrp n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rrp n ASP 18 N 0.00 0.65 -4.46 1.61 9.92 -1.26 -4.36 116.55 118.64 1rrp n ASP 18 Ca 0.00 1.15 -0.36 0.00 -0.53 0.00 0.00 54.79 55.05 1rrp n ASP 18 Cb 0.00 -1.01 0.07 0.00 -0.64 0.00 0.00 41.12 39.54 1rrp n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1rrp n GLY 19 N 1.99 -1.57 2.21 0.44 0.00 -1.26 -2.35 105.19 104.66 1rrp n GLY 19 Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1rrp n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rrp n GLY 20 N 1.64 2.93 0.18 -0.02 0.00 -1.26 -4.87 105.19 103.78 1rrp n GLY 20 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1rrp n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rrp h THR 21 N 0.00 0.00 0.00 2.61 1.35 -1.80 -3.47 112.91 111.60 1rrp h THR 21 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1rrp h THR 21 Cb 0.00 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 1rrp h THR 21 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1rrp n GLY 22 N -0.49 0.72 0.36 5.82 0.00 -1.26 -4.56 105.19 105.77 1rrp n GLY 22 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1rrp n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rrp h LYS 23 N 4.34 -0.02 0.08 1.61 1.57 -1.91 0.23 116.57 122.47 1rrp h LYS 23 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rrp h LYS 23 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1rrp h LYS 23 CO 0.00 -0.01 -0.04 1.15 -0.57 0.00 0.00 179.45 179.98 1rrp h THR 24 N -0.02 1.19 -0.90 -0.16 2.02 -1.95 -2.84 112.91 110.25 1rrp h THR 24 Ca 0.38 -1.07 0.21 0.00 0.77 0.00 0.00 66.41 66.70 1rrp h THR 24 Cb 0.63 1.87 -0.06 0.00 -1.74 0.00 0.00 68.15 68.85 1rrp h THR 24 CO -0.94 0.26 0.60 0.74 0.37 0.00 0.00 175.52 176.55 1rrp h THR 25 N -0.60 0.66 0.69 3.16 2.02 -1.64 0.24 112.91 117.45 1rrp h THR 25 Ca -0.01 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1rrp h THR 25 Cb 0.50 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1rrp h THR 25 CO 0.02 0.07 -0.34 0.15 0.37 0.00 0.00 175.52 175.78 1rrp h PHE 26 N 0.36 -0.88 -0.21 3.16 3.57 -0.51 -2.60 116.94 119.82 1rrp h PHE 26 Ca 0.47 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.96 1rrp h PHE 26 Cb 1.23 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 40.25 1rrp h PHE 26 CO -0.00 -0.54 0.11 0.28 -2.23 0.00 0.00 178.31 175.92 1rrp h VAL 27 N -0.94 1.00 0.00 1.41 2.07 -1.05 -1.80 116.25 116.95 1rrp h VAL 27 Ca -0.10 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1rrp h VAL 27 Cb 0.72 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1rrp h VAL 27 CO 0.15 0.04 0.00 0.29 0.02 0.00 0.00 177.57 178.08 1rrp n LYS 28 N -4.99 0.10 -0.07 1.57 5.02 0.76 -1.50 118.16 119.05 1rrp n LYS 28 Ca -0.03 0.20 -0.15 0.00 -2.02 0.00 0.00 58.31 56.31 1rrp n LYS 28 Cb 0.05 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.42 1rrp n LYS 28 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1rrp n ARG 29 N -1.25 0.68 0.00 1.97 0.63 -0.70 -2.57 116.66 115.43 1rrp n ARG 29 Ca 0.03 0.17 0.08 0.00 -0.92 0.00 0.00 57.85 57.21 1rrp n ARG 29 Cb 0.04 -1.62 0.36 0.00 0.45 0.00 0.00 32.46 31.70 1rrp n ARG 29 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1rrp n HIS 30 N -3.16 0.00 -0.09 -0.14 8.25 -0.56 -0.11 115.22 119.41 1rrp n HIS 30 Ca -0.34 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.01 1rrp n HIS 30 Cb 1.06 -0.45 -0.11 0.00 1.12 0.00 0.00 29.99 31.60 1rrp n HIS 30 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1rrp n LEU 31 N -1.45 1.53 0.00 2.41 7.94 -0.78 -4.78 117.00 121.87 1rrp n LEU 31 Ca 0.05 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1rrp n LEU 31 Cb 0.18 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1rrp n LEU 31 CO 0.15 0.63 -0.36 0.41 -1.11 0.00 0.00 177.39 177.10 1rrp n THR 32 N -2.86 0.00 -1.01 1.96 -1.04 -1.06 -4.98 114.28 105.29 1rrp n THR 32 Ca -0.32 -0.06 -0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1rrp n THR 32 Cb 0.96 0.50 -0.00 0.00 -1.82 0.00 0.00 70.33 69.96 1rrp n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rrp n GLY 33 N 1.93 0.47 3.93 3.41 0.00 0.84 -5.02 105.19 110.75 1rrp n GLY 33 Ca 0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 1rrp n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rrp s GLU 34 N -0.92 3.51 -0.25 1.61 -1.05 -1.26 -5.01 118.70 115.33 1rrp s GLU 34 Ca 0.00 -0.38 0.02 0.00 -0.15 0.00 0.00 54.97 54.46 1rrp s GLU 34 Cb 0.00 -2.79 0.06 0.00 -0.44 0.00 0.00 34.13 30.96 1rrp s GLU 34 CO 0.00 0.34 -0.07 0.12 0.95 0.00 0.00 175.26 176.60 1rrp s PHE 35 N -2.00 2.79 -0.50 4.83 5.36 -1.26 -4.04 117.98 123.17 1rrp s PHE 35 Ca 0.38 -2.03 -0.29 0.00 -0.96 0.00 0.00 56.93 54.03 1rrp s PHE 35 Cb -0.10 -1.77 0.03 0.00 -0.34 0.00 0.00 43.02 40.83 1rrp s PHE 35 CO 0.31 -0.83 1.19 -2.00 -1.46 0.00 0.00 175.22 172.44 1rrp s GLU 36 N 1.26 3.64 0.26 10.12 2.56 -1.26 -4.88 118.70 130.40 1rrp s GLU 36 Ca -0.06 0.53 0.04 0.00 0.00 0.00 0.00 54.97 55.48 1rrp s GLU 36 Cb -0.19 -3.96 0.34 0.00 2.00 0.00 0.00 34.13 32.32 1rrp s GLU 36 CO -0.06 -1.50 1.63 0.87 -0.56 0.00 0.00 175.26 175.64 1rrp h LYS 37 N 9.55 0.32 -6.57 4.30 1.57 -2.02 -3.46 116.57 120.26 1rrp h LYS 37 Ca -0.24 -0.17 -0.52 0.00 -1.87 0.00 0.00 60.65 57.85 1rrp h LYS 37 Cb 1.07 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 1rrp h LYS 37 CO 1.14 0.72 -0.02 -1.59 -0.57 0.00 0.00 179.45 179.13 1rrp s LYS 38 N -4.05 3.89 -0.20 3.15 -2.85 -1.26 -5.07 119.74 113.35 1rrp s LYS 38 Ca -0.05 0.45 -0.19 0.00 -1.00 0.00 0.00 55.97 55.18 1rrp s LYS 38 Cb 0.13 -2.55 -0.03 0.00 -2.06 0.00 0.00 37.83 33.32 1rrp s LYS 38 CO 0.79 0.25 0.56 -0.47 0.10 0.00 0.00 175.35 176.58 1rrp s TYR 39 N -1.89 3.38 -0.37 1.78 6.14 -1.26 -5.01 117.35 120.11 1rrp s TYR 39 Ca 0.50 0.83 0.01 0.00 0.64 0.00 0.00 57.07 59.06 1rrp s TYR 39 Cb -0.11 -2.72 0.15 0.00 0.42 0.00 0.00 41.96 39.70 1rrp s TYR 39 CO 0.19 -0.12 0.28 0.08 0.64 0.00 0.00 175.55 176.62 1rrp s VAL 40 N 1.71 0.03 0.10 3.14 1.01 -1.26 -5.12 120.40 120.02 1rrp s VAL 40 Ca 0.26 -1.66 -0.33 0.00 0.00 0.00 0.00 61.98 60.25 1rrp s VAL 40 Cb -0.16 -1.01 -0.18 0.00 0.00 0.00 0.00 36.38 35.04 1rrp s VAL 40 CO 0.10 -0.91 0.75 0.00 0.00 0.00 0.00 175.10 175.04 1rrp n ALA 41 N 3.90 -3.16 -2.68 5.51 0.00 -1.26 -4.90 120.51 117.92 1rrp n ALA 41 Ca 0.14 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.66 1rrp n ALA 41 Cb 0.41 -1.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1rrp n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rrp s THR 42 N -0.52 4.78 -1.15 0.00 2.01 -1.26 -4.96 115.64 114.53 1rrp s THR 42 Ca 0.74 1.97 -0.19 0.00 0.31 0.00 0.00 61.69 64.52 1rrp s THR 42 Cb -1.05 -4.28 0.09 0.00 0.01 0.00 0.00 72.50 67.26 1rrp s THR 42 CO 0.55 -0.03 1.53 -0.76 -0.69 0.00 0.00 174.62 175.21 1rrp s LEU 43 N 2.30 4.06 -0.23 4.42 2.01 -1.26 -4.37 118.68 125.61 1rrp s LEU 43 Ca 0.46 -2.16 -0.06 0.00 0.01 0.00 0.00 54.13 52.37 1rrp s LEU 43 Cb -0.17 -2.53 0.01 0.00 0.01 0.00 0.00 46.19 43.51 1rrp s LEU 43 CO 0.14 -1.20 0.15 0.61 1.01 0.00 0.00 176.35 177.06 1rrp n GLY 44 N 5.70 -1.97 1.34 -3.19 0.00 -1.26 -4.84 105.19 100.97 1rrp n GLY 44 Ca 0.39 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.89 1rrp n GLY 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1rrp n VAL 45 N 0.69 -2.53 -3.78 1.61 3.14 -1.25 -4.79 118.33 111.43 1rrp n VAL 45 Ca 0.01 1.17 -0.13 0.00 -2.96 0.00 0.00 64.34 62.43 1rrp n VAL 45 Cb 0.31 -1.64 -0.12 0.00 -1.06 0.00 0.00 33.84 31.32 1rrp n VAL 45 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1rrp s GLU 46 N -3.47 0.25 -0.14 1.45 2.12 0.27 -4.89 118.70 114.28 1rrp s GLU 46 Ca 0.00 0.37 -0.00 0.00 0.36 0.00 0.00 54.97 55.70 1rrp s GLU 46 Cb 0.00 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.44 1rrp s GLU 46 CO 0.00 -0.06 -0.14 0.08 -0.54 0.00 0.00 175.26 174.60 1rrp s VAL 47 N 0.41 2.94 0.03 3.70 1.01 -1.26 0.81 120.40 128.05 1rrp s VAL 47 Ca -0.02 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1rrp s VAL 47 Cb -0.04 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1rrp s VAL 47 CO -0.02 0.52 -0.09 -1.00 0.00 0.00 0.00 175.10 174.51 1rrp s HIS 48 N 0.50 0.77 0.01 5.22 0.09 -0.53 -4.97 115.29 116.38 1rrp s HIS 48 Ca -0.09 -0.38 -0.06 0.00 -0.00 0.00 0.00 55.06 54.52 1rrp s HIS 48 Cb -0.16 -0.46 -0.05 0.00 -0.00 0.00 0.00 32.58 31.92 1rrp s HIS 48 CO 0.04 -0.04 0.26 -1.25 -0.00 0.00 0.00 174.74 173.75 1rrp s PRO 49 N -1.21 3.56 -0.07 8.40 0.04 -1.26 -0.40 135.00 144.06 1rrp s PRO 49 Ca -0.05 -0.11 0.04 0.00 0.04 0.00 0.00 61.00 60.91 1rrp s PRO 49 Cb -0.08 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1rrp s PRO 49 CO 0.01 0.65 -0.18 -0.51 0.04 0.00 0.00 177.00 177.00 1rrp s LEU 50 N -1.82 1.88 -0.10 -3.56 1.43 0.35 -4.92 118.68 111.95 1rrp s LEU 50 Ca 0.28 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1rrp s LEU 50 Cb -0.13 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 1rrp s LEU 50 CO 0.17 0.12 -0.15 0.68 0.23 0.00 0.00 176.35 177.40 1rrp s VAL 51 N 0.33 2.95 -0.11 -1.59 -7.23 -1.26 0.22 120.40 113.72 1rrp s VAL 51 Ca -0.12 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1rrp s VAL 51 Cb -0.15 -2.20 0.02 0.00 0.56 0.00 0.00 36.38 34.61 1rrp s VAL 51 CO 0.05 0.55 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.90 1rrp s PHE 52 N -0.02 1.79 -0.25 2.82 0.08 0.14 -4.97 117.98 117.57 1rrp s PHE 52 Ca -0.04 -0.87 -0.23 0.00 0.12 0.00 0.00 56.93 55.91 1rrp s PHE 52 Cb -0.14 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 40.95 1rrp s PHE 52 CO 0.04 -0.49 0.77 -1.01 -0.10 0.00 0.00 175.22 174.42 1rrp s HIS 53 N 1.24 3.30 0.47 0.36 3.76 -1.26 -0.74 115.29 122.41 1rrp s HIS 53 Ca -0.02 1.03 0.05 0.00 -0.15 0.00 0.00 55.06 55.97 1rrp s HIS 53 Cb -0.14 -2.99 -0.03 0.00 1.11 0.00 0.00 32.58 30.53 1rrp s HIS 53 CO -0.04 -0.38 0.17 0.95 -0.85 0.00 0.00 174.74 174.58 1rrp s THR 54 N 2.74 1.85 0.36 1.30 -4.23 0.83 -0.95 115.64 117.55 1rrp s THR 54 Ca 0.32 -1.75 0.16 0.00 -1.18 0.00 0.00 61.69 59.24 1rrp s THR 54 Cb -0.15 -2.60 0.14 0.00 1.34 0.00 0.00 72.50 71.22 1rrp s THR 54 CO 0.08 0.00 1.88 -0.55 -0.54 0.00 0.00 174.62 175.48 1rrp h ASN 55 N 1.29 0.00 -0.83 3.99 -1.07 -1.86 -1.67 115.58 115.43 1rrp h ASN 55 Ca -0.42 0.00 -0.42 0.00 0.07 0.00 0.00 56.30 55.53 1rrp h ASN 55 Cb 1.28 0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 37.28 1rrp h ASN 55 CO 0.69 0.31 0.53 0.54 0.07 0.00 0.00 177.43 179.57 1rrp n ARG 56 N -3.98 2.19 0.00 4.14 1.74 -1.26 -5.02 116.66 114.46 1rrp n ARG 56 Ca -0.02 -2.57 0.00 0.00 -0.77 0.00 0.00 57.85 54.49 1rrp n ARG 56 Cb 0.37 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 1rrp n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rrp n GLY 57 N -0.83 -3.04 3.93 -0.13 0.00 -0.63 -5.02 105.19 99.47 1rrp n GLY 57 Ca 0.50 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 1rrp n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rrp s PRO 58 N -0.69 3.53 0.04 1.61 0.04 -1.26 -0.12 135.00 138.15 1rrp s PRO 58 Ca 0.00 -0.28 0.03 0.00 0.04 0.00 0.00 61.00 60.79 1rrp s PRO 58 Cb 0.00 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 1rrp s PRO 58 CO 0.00 0.30 -0.09 0.96 0.04 0.00 0.00 177.00 178.21 1rrp s ILE 59 N -2.03 0.70 -0.12 0.56 -4.36 0.09 -4.55 121.20 111.48 1rrp s ILE 59 Ca 0.40 -0.92 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 1rrp s ILE 59 Cb -0.10 -0.69 -0.02 0.00 1.25 0.00 0.00 42.46 42.90 1rrp s ILE 59 CO 0.31 -0.18 -0.13 -0.75 0.24 0.00 0.00 174.94 174.42 1rrp s LYS 60 N -1.21 3.29 -0.27 0.37 2.20 0.13 -0.68 119.74 123.56 1rrp s LYS 60 Ca -0.04 -0.68 -0.07 0.00 -0.36 0.00 0.00 55.97 54.82 1rrp s LYS 60 Cb -0.08 -2.61 -0.01 0.00 -1.51 0.00 0.00 37.83 33.62 1rrp s LYS 60 CO 0.01 0.26 0.07 -0.06 -0.36 0.00 0.00 175.35 175.27 1rrp s PHE 61 N 0.22 3.11 -0.50 4.03 0.08 0.60 -1.85 117.98 123.66 1rrp s PHE 61 Ca -0.08 -0.76 -0.21 0.00 0.12 0.00 0.00 56.93 56.00 1rrp s PHE 61 Cb -0.15 -2.24 0.04 0.00 -0.57 0.00 0.00 43.02 40.10 1rrp s PHE 61 CO 0.05 -0.49 0.74 -0.80 -0.10 0.00 0.00 175.22 174.61 1rrp s ASN 62 N 1.55 6.29 -0.30 1.36 0.01 0.57 0.13 114.94 124.54 1rrp s ASN 62 Ca 0.04 -0.58 -0.14 0.00 -0.71 0.00 0.00 52.86 51.48 1rrp s ASN 62 Cb -0.16 -2.35 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 1rrp s ASN 62 CO 0.03 -0.97 0.30 -0.69 -1.51 0.00 0.00 177.10 174.25 1rrp s VAL 63 N 3.11 5.23 -1.12 1.60 1.01 0.46 0.57 120.40 131.26 1rrp s VAL 63 Ca 0.22 0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 1rrp s VAL 63 Cb -0.16 -3.69 0.20 0.00 0.00 0.00 0.00 36.38 32.73 1rrp s VAL 63 CO 0.16 0.08 1.26 0.26 0.00 0.00 0.00 175.10 176.87 1rrp s TRP 64 N 1.92 3.67 -0.79 5.22 0.52 0.33 -1.45 118.94 128.37 1rrp s TRP 64 Ca 0.10 -2.17 -0.25 0.00 0.02 0.00 0.00 56.10 53.80 1rrp s TRP 64 Cb -0.16 -4.15 -0.05 0.00 -1.15 0.00 0.00 33.47 27.96 1rrp s TRP 64 CO 0.11 -1.26 1.97 0.34 0.02 0.00 0.00 176.95 178.12 1rrp s ASP 65 N 2.49 5.07 0.93 2.95 2.15 0.24 -2.05 116.67 128.45 1rrp s ASP 65 Ca 0.36 -0.24 -0.15 0.00 0.43 0.00 0.00 52.55 52.95 1rrp s ASP 65 Cb -0.05 -2.55 0.17 0.00 -0.30 0.00 0.00 42.92 40.19 1rrp s ASP 65 CO -0.04 -2.71 1.28 0.42 -0.17 0.00 0.00 175.17 173.95 1rrp s THR 66 N 10.16 1.99 0.67 1.71 -4.23 -1.05 0.93 115.64 125.82 1rrp s THR 66 Ca 0.72 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.17 1rrp s THR 66 Cb -0.09 -2.99 0.05 0.00 1.34 0.00 0.00 72.50 70.81 1rrp s THR 66 CO 0.08 0.00 0.98 0.00 -0.54 0.00 0.00 174.62 175.13 1rrp s ALA 67 N -3.79 3.23 -0.05 3.99 0.00 -1.26 -4.47 121.76 119.40 1rrp s ALA 67 Ca 0.71 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1rrp s ALA 67 Cb -0.06 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 1rrp s ALA 67 CO 0.52 -1.16 -0.04 0.41 0.00 0.00 0.00 175.76 175.49 1rrp n GLY 68 N -2.82 -0.09 3.68 0.00 0.00 -1.26 -4.63 105.19 100.07 1rrp n GLY 68 Ca 0.07 -0.04 -0.47 0.00 0.00 0.00 0.00 46.02 45.58 1rrp n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rrp n GLN 69 N -2.58 2.20 0.24 1.61 6.02 -1.26 -4.29 117.38 119.33 1rrp n GLN 69 Ca -0.09 0.80 0.16 0.00 -0.01 0.00 0.00 57.00 57.87 1rrp n GLN 69 Cb 0.60 -2.63 0.74 0.00 1.02 0.00 0.00 30.24 29.97 1rrp n GLN 69 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1rrp h GLU 70 N 8.41 0.00 0.00 -1.09 3.07 -2.01 -1.05 114.58 121.91 1rrp h GLU 70 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1rrp h GLU 70 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1rrp h GLU 70 CO 0.93 0.00 0.17 0.36 -1.40 0.00 0.00 179.01 179.07 1rrp n LYS 71 N -3.14 0.00 0.00 2.33 2.85 -1.26 0.23 118.16 119.17 1rrp n LYS 71 Ca 0.02 0.23 0.05 0.00 -1.05 0.00 0.00 58.31 57.56 1rrp n LYS 71 Cb 0.52 -1.67 -0.02 0.00 -0.65 0.00 0.00 35.03 33.21 1rrp n LYS 71 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1rrp n PHE 72 N -1.19 0.00 -0.24 5.58 3.72 -0.40 -4.74 117.46 120.19 1rrp n PHE 72 Ca 0.00 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.60 1rrp n PHE 72 Cb 0.17 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.03 1rrp n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rrp n GLY 73 N 1.04 -0.40 0.00 1.37 0.00 0.63 -2.36 105.19 105.46 1rrp n GLY 73 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1rrp n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rrp n GLY 74 N -1.27 -1.78 0.56 -0.02 0.00 -1.26 -4.12 105.19 97.29 1rrp n GLY 74 Ca 0.19 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.61 1rrp n GLY 74 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1rrp h LEU 75 N 0.00 0.12 -5.47 0.99 -0.00 -1.86 -3.29 115.31 105.79 1rrp h LEU 75 Ca 0.00 0.05 -0.32 0.00 -0.00 0.00 0.00 57.88 57.61 1rrp h LEU 75 Cb 0.00 0.04 0.01 0.00 -0.00 0.00 0.00 40.66 40.71 1rrp h LEU 75 CO 0.00 -0.05 2.32 -2.11 -0.00 0.00 0.00 178.44 178.60 1rrp n ARG 76 N -4.30 1.78 0.00 0.17 1.85 -1.22 -1.19 116.66 113.76 1rrp n ARG 76 Ca 0.35 -1.30 0.00 0.00 -1.00 0.00 0.00 57.85 55.90 1rrp n ARG 76 Cb 1.51 -2.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.55 1rrp n ARG 76 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1rrp n ASP 77 N 4.25 0.00 0.05 2.89 9.92 -1.24 -4.65 116.55 127.76 1rrp n ASP 77 Ca 0.38 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.59 1rrp n ASP 77 Cb 0.13 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.50 1rrp n ASP 77 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1rrp h GLY 78 N 0.00 0.00 1.33 0.44 0.00 -1.45 -2.78 103.07 100.61 1rrp h GLY 78 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1rrp h GLY 78 CO 0.00 0.00 0.15 -0.97 0.00 0.00 0.00 176.54 175.72 1rrp h TYR 79 N 0.00 0.87 0.00 5.60 0.05 -1.84 -2.95 116.97 118.69 1rrp h TYR 79 Ca -0.10 -0.07 -0.11 0.00 0.05 0.00 0.00 58.73 58.50 1rrp h TYR 79 Cb 1.77 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 39.23 1rrp h TYR 79 CO 0.00 0.72 -0.51 1.88 -1.05 0.00 0.00 178.16 179.19 1rrp h TYR 80 N 0.82 0.00 -2.58 4.88 -1.99 -1.79 -3.45 116.97 112.86 1rrp h TYR 80 Ca 0.18 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.31 1rrp h TYR 80 Cb 0.27 0.00 0.11 0.00 2.00 0.00 0.00 36.73 39.11 1rrp h TYR 80 CO 0.02 0.51 0.16 0.44 -0.00 0.00 0.00 178.16 179.28 1rrp n ILE 81 N -3.67 2.02 -3.26 -2.88 -5.35 -1.06 -2.06 119.36 103.10 1rrp n ILE 81 Ca -0.01 -0.50 -0.20 0.00 -0.27 0.00 0.00 62.75 61.77 1rrp n ILE 81 Cb 0.57 -1.05 -0.01 0.00 -1.74 0.00 0.00 39.64 37.41 1rrp n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rrp n GLN 82 N 0.67 -2.85 -3.06 6.28 6.02 -1.26 -4.94 117.38 118.23 1rrp n GLN 82 Ca 0.09 0.36 -0.33 0.00 -0.01 0.00 0.00 57.00 57.11 1rrp n GLN 82 Cb 0.33 -5.00 -0.06 0.00 1.02 0.00 0.00 30.24 26.52 1rrp n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rrp s ALA 83 N -2.77 3.27 -0.64 -1.58 0.00 -0.87 -4.80 121.76 114.36 1rrp s ALA 83 Ca 0.34 0.13 0.12 0.00 0.00 0.00 0.00 51.96 52.55 1rrp s ALA 83 Cb -0.19 -2.86 -0.11 0.00 0.00 0.00 0.00 23.12 19.97 1rrp s ALA 83 CO 0.42 0.29 0.53 1.04 0.00 0.00 0.00 175.76 178.04 1rrp n GLN 84 N -0.32 2.95 -3.62 0.00 6.02 -0.65 -4.98 117.38 116.77 1rrp n GLN 84 Ca 0.04 -0.10 -0.04 0.00 -0.01 0.00 0.00 57.00 56.89 1rrp n GLN 84 Cb 0.53 -1.07 -0.03 0.00 1.02 0.00 0.00 30.24 30.69 1rrp n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rrp s ALA 86 N -1.48 -0.18 -0.32 0.00 0.00 -0.87 -1.98 121.76 116.92 1rrp s ALA 86 Ca 0.08 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 1rrp s ALA 86 Cb -0.01 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.40 1rrp s ALA 86 CO -0.05 -0.31 0.05 0.42 0.00 0.00 0.00 175.76 175.87 1rrp s ILE 87 N -2.43 3.37 -0.19 0.00 1.01 -1.08 -1.32 121.20 120.56 1rrp s ILE 87 Ca -0.06 -1.29 -0.20 0.00 0.00 0.00 0.00 60.65 59.10 1rrp s ILE 87 Cb -0.02 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1rrp s ILE 87 CO -0.04 -0.16 0.59 -0.63 0.00 0.00 0.00 174.94 174.70 1rrp s ILE 88 N 1.32 5.05 0.03 2.92 1.01 0.15 -2.55 121.20 129.14 1rrp s ILE 88 Ca -0.03 1.10 0.08 0.00 0.00 0.00 0.00 60.65 61.80 1rrp s ILE 88 Cb -0.20 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1rrp s ILE 88 CO 0.01 0.14 -0.22 -0.32 0.00 0.00 0.00 174.94 174.54 1rrp s MET 89 N 1.76 1.59 0.14 2.79 1.75 -0.51 -0.80 119.30 126.02 1rrp s MET 89 Ca 0.27 -0.94 0.02 0.00 -1.25 0.00 0.00 55.69 53.79 1rrp s MET 89 Cb -0.16 -1.68 -0.04 0.00 2.84 0.00 0.00 34.83 35.79 1rrp s MET 89 CO 0.10 0.44 -0.05 -0.59 -0.65 0.00 0.00 175.02 174.27 1rrp s PHE 90 N -0.73 1.09 0.21 4.11 -0.12 -0.29 -4.25 117.98 118.00 1rrp s PHE 90 Ca 0.09 -0.92 0.12 0.00 -0.05 0.00 0.00 56.93 56.17 1rrp s PHE 90 Cb -0.09 -0.61 0.35 0.00 -0.63 0.00 0.00 43.02 42.04 1rrp s PHE 90 CO 0.01 -0.13 1.59 0.22 -0.05 0.00 0.00 175.22 176.87 1rrp h ASP 91 N 2.83 0.00 0.00 1.98 1.82 -1.82 -1.97 116.42 119.26 1rrp h ASP 91 Ca -0.36 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1rrp h ASP 91 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1rrp h ASP 91 CO 0.64 0.60 0.00 0.55 -1.61 0.00 0.00 179.24 179.42 1rrp n VAL 92 N -3.65 0.00 1.02 2.25 3.14 -1.26 -4.29 118.33 115.54 1rrp n VAL 92 Ca -0.01 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.50 1rrp n VAL 92 Cb 0.64 0.00 0.24 0.00 -1.06 0.00 0.00 33.84 33.66 1rrp n VAL 92 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1rrp n THR 93 N -0.14 0.10 -3.15 1.55 -1.04 -1.26 -0.10 114.28 110.24 1rrp n THR 93 Ca 0.00 -0.47 -0.20 0.00 -2.04 0.00 0.00 64.05 61.34 1rrp n THR 93 Cb 0.00 1.10 -0.06 0.00 -1.82 0.00 0.00 70.33 69.55 1rrp n THR 93 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1rrp n SER 94 N 1.03 -1.18 -0.25 8.00 2.88 -1.26 -4.72 113.62 118.12 1rrp n SER 94 Ca 0.16 -2.65 0.21 0.00 -1.33 0.00 0.00 58.87 55.26 1rrp n SER 94 Cb 0.53 0.13 0.36 0.00 -0.75 0.00 0.00 64.21 64.48 1rrp n SER 94 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1rrp n ARG 95 N 2.39 -0.02 -0.16 -1.46 3.00 -1.26 0.41 116.66 119.56 1rrp n ARG 95 Ca 0.23 0.69 -0.09 0.00 -0.01 0.00 0.00 57.85 58.67 1rrp n ARG 95 Cb 0.52 -1.34 -0.04 0.00 0.00 0.00 0.00 32.46 31.60 1rrp n ARG 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1rrp h VAL 96 N 0.00 0.10 -0.65 1.55 2.07 -1.98 0.38 116.25 117.71 1rrp h VAL 96 Ca 0.48 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.07 1rrp h VAL 96 Cb 1.51 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 31.27 1rrp h VAL 96 CO -0.27 0.00 -0.52 0.71 0.02 0.00 0.00 177.57 177.52 1rrp h THR 97 N -0.28 0.03 -0.73 2.57 1.35 -0.48 0.20 112.91 115.57 1rrp h THR 97 Ca 0.15 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.14 1rrp h THR 97 Cb 0.57 0.03 -0.08 0.00 -1.73 0.00 0.00 68.15 66.94 1rrp h THR 97 CO -0.62 0.00 0.32 0.22 -0.25 0.00 0.00 175.52 175.18 1rrp h TYR 98 N -0.22 0.55 -0.52 4.73 5.03 -1.30 -0.86 116.97 124.39 1rrp h TYR 98 Ca 0.15 0.03 0.09 0.00 2.58 0.00 0.00 58.73 61.59 1rrp h TYR 98 Cb 0.54 -0.14 -0.08 0.00 1.55 0.00 0.00 36.73 38.61 1rrp h TYR 98 CO -0.81 0.13 0.08 -0.22 -1.32 0.00 0.00 178.16 176.02 1rrp h LYS 99 N 0.50 0.20 0.00 1.82 3.64 0.14 -0.60 116.57 122.27 1rrp h LYS 99 Ca 0.38 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.70 1rrp h LYS 99 Cb 0.52 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1rrp h LYS 99 CO -0.35 0.13 -0.25 -0.91 -2.27 0.00 0.00 179.45 175.80 1rrp h ASN 100 N 0.20 0.00 -0.50 4.20 4.21 -0.12 -3.34 115.58 120.23 1rrp h ASN 100 Ca 0.27 0.00 0.05 0.00 1.21 0.00 0.00 56.30 57.82 1rrp h ASN 100 Cb 0.38 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.52 1rrp h ASN 100 CO -0.37 0.25 -0.29 0.52 -1.29 0.00 0.00 177.43 176.25 1rrp n VAL 101 N -3.70 -0.34 -0.14 2.81 0.31 -0.23 0.17 118.33 117.21 1rrp n VAL 101 Ca -0.01 1.22 0.28 0.00 -0.01 0.00 0.00 64.34 65.81 1rrp n VAL 101 Cb 0.37 -1.50 0.70 0.00 -0.91 0.00 0.00 33.84 32.49 1rrp n VAL 101 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1rrp h PRO 102 N 0.00 0.00 0.66 5.55 0.11 -1.76 -1.11 132.00 135.46 1rrp h PRO 102 Ca 0.08 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1rrp h PRO 102 Cb 0.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.32 1rrp h PRO 102 CO -0.47 0.00 -0.32 -0.91 -0.21 0.00 0.00 178.00 176.09 1rrp h ASN 103 N 0.00 -0.76 0.01 -2.05 2.35 0.15 -2.86 115.58 112.43 1rrp h ASN 103 Ca 0.41 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 56.17 1rrp h ASN 103 Cb 1.89 0.20 -0.04 0.00 0.05 0.00 0.00 38.32 40.41 1rrp h ASN 103 CO -0.00 -0.41 -0.26 -0.50 -1.65 0.00 0.00 177.43 174.61 1rrp h TRP 104 N -1.12 -0.69 -1.45 1.19 4.06 -1.23 0.06 115.95 116.78 1rrp h TRP 104 Ca -0.09 0.02 0.43 0.00 2.06 0.00 0.00 58.89 61.31 1rrp h TRP 104 Cb 0.72 0.30 -0.09 0.00 -1.00 0.00 0.00 29.16 29.09 1rrp h TRP 104 CO -0.00 -0.35 1.00 1.25 -3.56 0.00 0.00 178.44 176.78 1rrp h HIS 105 N -0.40 0.26 0.12 0.49 2.76 -1.48 0.19 115.15 117.08 1rrp h HIS 105 Ca 0.06 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 1rrp h HIS 105 Cb 0.48 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.38 1rrp h HIS 105 CO -0.29 -0.07 -0.06 -0.09 -1.30 0.00 0.00 177.93 176.13 1rrp h ARG 106 N 0.07 -0.16 -1.02 5.26 2.43 -0.76 -2.43 114.38 117.77 1rrp h ARG 106 Ca 0.77 0.01 0.25 0.00 -0.81 0.00 0.00 59.98 60.20 1rrp h ARG 106 Cb 2.73 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 32.20 1rrp h ARG 106 CO -0.18 0.31 0.63 -0.44 -1.51 0.00 0.00 179.97 178.78 1rrp h ASP 107 N -0.89 0.57 0.53 -3.80 5.19 0.05 -0.48 116.42 117.58 1rrp h ASP 107 Ca -0.02 0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1rrp h ASP 107 Cb 0.53 0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.07 1rrp h ASP 107 CO 0.03 0.10 -0.25 -0.07 -3.12 0.00 0.00 179.24 175.93 1rrp h LEU 108 N 0.50 -0.60 0.00 1.55 3.38 -1.10 -2.88 115.31 116.16 1rrp h LEU 108 Ca 0.62 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.61 1rrp h LEU 108 Cb 1.35 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1rrp h LEU 108 CO -0.39 -0.28 0.00 1.33 0.09 0.00 0.00 178.44 179.19 1rrp n VAL 109 N -4.75 0.00 -0.06 1.22 0.24 -0.73 -1.99 118.33 112.26 1rrp n VAL 109 Ca -0.09 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.19 1rrp n VAL 109 Cb 0.28 -0.55 -0.01 0.00 -1.47 0.00 0.00 33.84 32.10 1rrp n VAL 109 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1rrp h ARG 110 N 0.00 0.00 0.15 7.34 2.43 -0.89 -3.36 114.38 120.05 1rrp h ARG 110 Ca 0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 1rrp h ARG 110 Cb 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1rrp h ARG 110 CO 0.00 0.00 -1.29 -0.39 -1.51 0.00 0.00 179.97 176.78 1rrp h VAL 111 N -0.94 1.33 -2.76 0.20 -1.51 -1.50 -3.42 116.25 107.65 1rrp h VAL 111 Ca 0.00 -2.63 -0.59 0.00 -1.23 0.00 0.00 66.70 62.26 1rrp h VAL 111 Cb 0.29 2.81 -0.39 0.00 -2.13 0.00 0.00 31.29 31.86 1rrp h VAL 111 CO 0.00 0.79 -0.80 0.00 -1.23 0.00 0.00 177.57 176.33 1rrp n GLU 113 N 3.98 -2.46 0.00 0.00 0.00 -1.26 -4.21 120.64 116.69 1rrp n GLU 113 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 57.16 56.52 1rrp n GLU 113 Cb 0.37 -1.51 0.00 0.00 0.00 0.00 0.00 31.44 30.29 1rrp n GLU 113 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1rrp n ASN 114 N -1.63 0.00 -1.09 -1.84 0.23 -1.26 -4.93 115.26 104.74 1rrp n ASN 114 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.11 1rrp n ASN 114 Cb 0.38 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 1rrp n ASN 114 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1rrp n ILE 115 N 0.00 -3.78 -1.71 1.53 5.41 -1.26 -4.85 119.36 114.69 1rrp n ILE 115 Ca 0.00 1.55 -0.43 0.00 1.00 0.00 0.00 62.75 64.87 1rrp n ILE 115 Cb 0.00 -2.41 -0.02 0.00 -0.71 0.00 0.00 39.64 36.50 1rrp n ILE 115 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1rrp n PRO 116 N 0.01 2.34 -3.81 0.38 -0.04 -1.26 -4.87 135.00 127.74 1rrp n PRO 116 Ca 0.00 0.83 -0.13 0.00 -0.04 0.00 0.00 63.50 64.16 1rrp n PRO 116 Cb 0.00 -2.53 -0.15 0.00 -0.04 0.00 0.00 33.50 30.79 1rrp n PRO 116 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rrp s ILE 117 N -0.28 -0.03 -0.07 0.52 1.01 -1.26 -2.05 121.20 119.04 1rrp s ILE 117 Ca 0.63 0.11 0.02 0.00 0.00 0.00 0.00 60.65 61.41 1rrp s ILE 117 Cb -0.57 -0.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 1rrp s ILE 117 CO 0.52 0.04 -0.10 -0.69 0.00 0.00 0.00 174.94 174.71 1rrp s VAL 118 N 0.57 3.39 -0.19 2.92 1.01 -0.43 -3.45 120.40 124.20 1rrp s VAL 118 Ca -0.05 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1rrp s VAL 118 Cb -0.07 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1rrp s VAL 118 CO -0.02 0.59 0.03 -0.22 0.00 0.00 0.00 175.10 175.48 1rrp s LEU 119 N -0.65 3.52 -0.08 3.92 2.96 0.78 0.34 118.68 129.47 1rrp s LEU 119 Ca 0.10 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1rrp s LEU 119 Cb -0.11 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.69 1rrp s LEU 119 CO 0.01 0.11 -0.19 0.00 -1.32 0.00 0.00 176.35 174.97 1rrp s GLY 121 N 0.37 2.61 0.76 0.00 0.00 -1.01 -1.13 107.32 108.92 1rrp s GLY 121 Ca -0.14 -3.29 -0.12 0.00 0.00 0.00 0.00 44.72 41.18 1rrp s GLY 121 CO 0.06 1.22 1.13 0.21 0.00 0.00 0.00 173.10 175.72 1rrp s ASN 122 N 1.90 4.94 0.00 1.64 2.47 -0.74 -1.57 114.94 123.58 1rrp s ASN 122 Ca 0.17 1.02 0.00 0.00 0.42 0.00 0.00 52.86 54.47 1rrp s ASN 122 Cb -0.13 -1.70 0.00 0.00 -1.45 0.00 0.00 41.25 37.97 1rrp s ASN 122 CO -0.07 -1.66 0.00 0.29 -3.72 0.00 0.00 177.10 171.94 1rrp n LYS 123 N -3.19 -0.20 0.00 0.43 5.02 -1.15 -4.25 118.16 114.83 1rrp n LYS 123 Ca 0.07 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1rrp n LYS 123 Cb 0.58 -3.19 0.00 0.00 -0.02 0.00 0.00 35.03 32.40 1rrp n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1rrp n VAL 124 N -2.90 0.00 0.11 -0.18 0.24 -0.95 -1.31 118.33 113.35 1rrp n VAL 124 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 1rrp n VAL 124 Cb 0.05 -0.61 0.01 0.00 -1.47 0.00 0.00 33.84 31.82 1rrp n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1rrp h ASP 125 N 0.00 0.00 -3.52 -1.34 2.03 -1.90 -3.46 116.42 108.23 1rrp h ASP 125 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 1rrp h ASP 125 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1rrp h ASP 125 CO 0.00 0.33 0.38 -0.63 -1.03 0.00 0.00 179.24 178.30 1rrp s ILE 126 N -3.08 4.50 0.09 4.15 1.01 -0.42 -5.00 121.20 122.45 1rrp s ILE 126 Ca 0.01 2.00 -0.33 0.00 0.00 0.00 0.00 60.65 62.34 1rrp s ILE 126 Cb 0.08 -4.28 -0.15 0.00 0.01 0.00 0.00 42.46 38.12 1rrp s ILE 126 CO 0.77 0.27 1.60 0.11 0.00 0.00 0.00 174.94 177.69 1rrp h LYS 127 N 5.84 -0.83 -3.24 2.79 1.79 -1.90 -3.30 116.57 117.72 1rrp h LYS 127 Ca -0.43 0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.01 1rrp h LYS 127 Cb 1.21 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 32.05 1rrp h LYS 127 CO 0.73 -0.55 0.93 -0.25 -1.08 0.00 0.00 179.45 179.23 1rrp n ASP 128 N -5.50 1.56 -4.77 0.86 9.92 -1.26 -4.89 116.55 112.46 1rrp n ASP 128 Ca -0.11 -1.91 -0.40 0.00 -0.53 0.00 0.00 54.79 51.83 1rrp n ASP 128 Cb 0.40 -0.52 0.01 0.00 -0.64 0.00 0.00 41.12 40.38 1rrp n ASP 128 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1rrp s ARG 129 N 3.40 3.81 -0.05 -1.24 3.52 -1.24 -4.94 118.95 122.20 1rrp s ARG 129 Ca 0.15 2.50 -0.01 0.00 -0.13 0.00 0.00 55.73 58.24 1rrp s ARG 129 Cb 0.06 -2.76 -0.03 0.00 -1.56 0.00 0.00 34.95 30.66 1rrp s ARG 129 CO -0.01 -0.74 -0.05 1.63 -0.81 0.00 0.00 175.30 175.32 1rrp n LYS 130 N 0.01 0.12 -2.76 5.12 4.76 -1.11 -4.84 118.16 119.47 1rrp n LYS 130 Ca 0.04 0.04 -0.43 0.00 -2.87 0.00 0.00 58.31 55.08 1rrp n LYS 130 Cb 0.41 -0.98 -0.00 0.00 -1.84 0.00 0.00 35.03 32.61 1rrp n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1rrp s VAL 131 N -2.10 4.54 0.82 -0.18 1.01 0.85 -4.93 120.40 120.41 1rrp s VAL 131 Ca -0.07 -2.13 -0.15 0.00 0.00 0.00 0.00 61.98 59.62 1rrp s VAL 131 Cb 0.02 -5.04 -0.04 0.00 0.00 0.00 0.00 36.38 31.32 1rrp s VAL 131 CO 0.11 -1.81 0.22 0.29 0.00 0.00 0.00 175.10 173.91 1rrp n LYS 132 N 7.11 0.05 0.19 2.72 4.76 -1.26 -4.82 118.16 126.91 1rrp n LYS 132 Ca 0.41 0.05 -0.13 0.00 -2.87 0.00 0.00 58.31 55.77 1rrp n LYS 132 Cb 0.45 -1.63 -0.07 0.00 -1.84 0.00 0.00 35.03 31.94 1rrp n LYS 132 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rrp h ALA 133 N -0.79 -1.01 0.00 7.82 0.00 -1.96 -1.09 119.26 122.23 1rrp h ALA 133 Ca -0.44 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1rrp h ALA 133 Cb 1.33 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1rrp h ALA 133 CO 0.37 -1.05 0.09 0.36 0.00 0.00 0.00 179.25 179.02 1rrp n LYS 134 N -4.67 0.00 -0.02 0.00 2.85 -1.26 -0.45 118.16 114.61 1rrp n LYS 134 Ca -0.08 0.41 -0.16 0.00 -1.05 0.00 0.00 58.31 57.43 1rrp n LYS 134 Cb 0.33 -1.59 -0.09 0.00 -0.65 0.00 0.00 35.03 33.03 1rrp n LYS 134 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1rrp h SER 135 N 0.00 0.68 -2.39 -5.58 0.02 -1.52 -3.44 113.55 101.32 1rrp h SER 135 Ca 0.00 -0.65 -0.56 0.00 -0.84 0.00 0.00 61.79 59.74 1rrp h SER 135 Cb 0.18 -0.20 0.05 0.00 0.14 0.00 0.00 62.40 62.56 1rrp h SER 135 CO 0.00 1.23 1.00 -0.38 -1.14 0.00 0.00 176.83 177.53 1rrp n ILE 136 N -4.17 0.22 0.00 3.27 2.08 0.40 -4.77 119.36 116.39 1rrp n ILE 136 Ca -0.08 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.19 1rrp n ILE 136 Cb 0.64 -1.89 0.00 0.00 -0.75 0.00 0.00 39.64 37.64 1rrp n ILE 136 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1rrp n VAL 137 N 4.24 0.00 -0.31 1.39 0.31 -1.26 -4.93 118.33 117.77 1rrp n VAL 137 Ca 0.18 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.65 1rrp n VAL 137 Cb 0.33 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 33.56 1rrp n VAL 137 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1rrp h PHE 138 N 0.00 0.22 -0.58 3.52 3.57 -1.98 0.76 116.94 122.45 1rrp h PHE 138 Ca 0.00 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.65 1rrp h PHE 138 Cb 0.00 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1rrp h PHE 138 CO 0.00 -0.31 0.39 1.12 -2.23 0.00 0.00 178.31 177.29 1rrp h HIS 139 N 0.12 0.40 -0.00 0.41 2.07 -1.92 0.60 115.15 116.84 1rrp h HIS 139 Ca 0.58 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 58.10 1rrp h HIS 139 Cb 1.20 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 31.05 1rrp h HIS 139 CO -0.34 0.19 -0.03 0.00 -3.07 0.00 0.00 177.93 174.69 1rrp h ARG 140 N 0.38 0.02 0.00 5.12 3.08 0.26 0.36 114.38 123.60 1rrp h ARG 140 Ca 0.27 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 1rrp h ARG 140 Cb 0.55 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1rrp h ARG 140 CO -0.07 0.80 -0.13 1.57 -1.07 0.00 0.00 179.97 181.06 1rrp h LYS 141 N -0.75 0.00 -0.02 0.04 2.10 -0.71 -2.91 116.57 114.32 1rrp h LYS 141 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1rrp h LYS 141 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1rrp h LYS 141 CO 0.01 0.13 -0.10 1.63 -2.00 0.00 0.00 179.45 179.12 1rrp n LYS 142 N -3.38 1.57 -3.31 0.07 4.01 0.21 -5.00 118.16 112.33 1rrp n LYS 142 Ca -0.00 -1.39 -0.16 0.00 -0.51 0.00 0.00 58.31 56.25 1rrp n LYS 142 Cb 0.33 -1.34 0.08 0.00 -0.51 0.00 0.00 35.03 33.58 1rrp n LYS 142 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1rrp n ASN 143 N 0.72 -5.17 -4.05 4.39 3.02 -0.36 -5.01 115.26 108.79 1rrp n ASN 143 Ca 0.10 -0.68 -0.25 0.00 -0.03 0.00 0.00 54.58 53.72 1rrp n ASN 143 Cb 0.44 -5.19 -0.16 0.00 -0.61 0.00 0.00 39.78 34.25 1rrp n ASN 143 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rrp s LEU 144 N -5.70 1.73 0.19 3.41 1.43 0.11 -4.98 118.68 114.88 1rrp s LEU 144 Ca 0.31 -0.31 -0.32 0.00 -1.03 0.00 0.00 54.13 52.79 1rrp s LEU 144 Cb -0.04 -0.84 -0.11 0.00 0.03 0.00 0.00 46.19 45.22 1rrp s LEU 144 CO 0.74 0.07 1.68 -1.58 0.23 0.00 0.00 176.35 177.49 1rrp s GLN 145 N 0.46 4.15 0.19 1.70 2.00 -1.22 -4.58 119.66 122.36 1rrp s GLN 145 Ca -0.11 2.53 0.11 0.00 -2.00 0.00 0.00 55.36 55.89 1rrp s GLN 145 Cb -0.14 -3.14 -0.04 0.00 0.80 0.00 0.00 33.01 30.48 1rrp s GLN 145 CO 0.03 -0.72 -0.23 -0.47 -0.50 0.00 0.00 175.29 173.41 1rrp s TYR 146 N 1.30 2.19 -0.11 1.67 5.04 -1.26 -0.16 117.35 126.02 1rrp s TYR 146 Ca 0.74 -0.38 -0.23 0.00 -2.44 0.00 0.00 57.07 54.75 1rrp s TYR 146 Cb -0.48 -1.08 0.05 0.00 0.35 0.00 0.00 41.96 40.81 1rrp s TYR 146 CO 0.32 0.47 0.56 0.71 -1.34 0.00 0.00 175.55 176.27 1rrp s TYR 147 N -1.78 -0.54 0.15 4.97 2.02 -0.72 -4.93 117.35 116.52 1rrp s TYR 147 Ca 0.20 1.10 -0.26 0.00 -0.37 0.00 0.00 57.07 57.74 1rrp s TYR 147 Cb -0.07 0.27 -0.08 0.00 -0.40 0.00 0.00 41.96 41.68 1rrp s TYR 147 CO 0.09 -0.45 0.80 -0.51 -1.57 0.00 0.00 175.55 173.91 1rrp s ASP 148 N -0.66 7.39 0.39 2.29 1.11 -1.26 -2.40 116.67 123.54 1rrp s ASP 148 Ca -0.07 1.65 0.04 0.00 0.18 0.00 0.00 52.55 54.34 1rrp s ASP 148 Cb -0.03 -2.51 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 1rrp s ASP 148 CO 0.05 0.17 0.08 -0.63 1.18 0.00 0.00 175.17 176.01 1rrp s ILE 149 N -0.94 0.99 -0.41 0.77 -1.09 -0.61 -4.53 121.20 115.39 1rrp s ILE 149 Ca 0.37 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.79 1rrp s ILE 149 Cb -0.23 -2.53 0.23 0.00 -1.58 0.00 0.00 42.46 38.35 1rrp s ILE 149 CO 0.26 0.00 1.00 -0.24 -1.23 0.00 0.00 174.94 174.74 1rrp n SER 150 N -1.05 -2.18 0.00 3.58 2.88 -1.11 -2.23 113.62 113.50 1rrp n SER 150 Ca -0.07 -2.08 0.00 0.00 -1.33 0.00 0.00 58.87 55.40 1rrp n SER 150 Cb 0.66 1.19 0.00 0.00 -0.75 0.00 0.00 64.21 65.31 1rrp n SER 150 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rrp n ALA 151 N 2.24 0.36 0.04 -1.46 0.00 -1.26 0.17 120.51 120.59 1rrp n ALA 151 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1rrp n ALA 151 Cb 0.64 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 1rrp n ALA 151 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1rrp n LYS 152 N -1.12 0.63 -0.01 0.00 4.81 -1.26 -4.32 118.16 116.89 1rrp n LYS 152 Ca 0.00 0.01 0.01 0.00 -0.87 0.00 0.00 58.31 57.46 1rrp n LYS 152 Cb 0.30 -1.69 0.01 0.00 0.02 0.00 0.00 35.03 33.66 1rrp n LYS 152 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1rrp n SER 153 N -2.56 1.66 0.00 3.14 3.41 0.45 -4.97 113.62 114.76 1rrp n SER 153 Ca -0.05 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1rrp n SER 153 Cb 0.63 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1rrp n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rrp n ASN 154 N -0.48 0.00 -4.38 4.04 3.02 0.51 -4.83 115.26 113.13 1rrp n ASN 154 Ca 0.01 0.00 -0.62 0.00 -0.03 0.00 0.00 54.58 53.94 1rrp n ASN 154 Cb 0.33 -1.73 -0.11 0.00 -0.61 0.00 0.00 39.78 37.66 1rrp n ASN 154 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rrp n TYR 155 N -2.00 1.44 -0.55 3.10 4.19 -1.24 -0.02 117.16 122.09 1rrp n TYR 155 Ca 0.00 0.95 0.00 0.00 3.31 0.00 0.00 57.90 62.16 1rrp n TYR 155 Cb 0.00 -2.19 0.00 0.00 0.49 0.00 0.00 39.34 37.64 1rrp n TYR 155 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1rrp n ASN 156 N 5.41 -1.78 0.00 2.98 5.03 -1.26 -2.75 115.26 122.89 1rrp n ASN 156 Ca 0.41 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.86 1rrp n ASN 156 Cb -0.05 -2.33 0.00 0.00 -1.02 0.00 0.00 39.78 36.38 1rrp n ASN 156 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 1rrp n PHE 157 N -1.47 0.00 -0.08 3.10 -1.74 0.97 -1.25 117.46 116.99 1rrp n PHE 157 Ca 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.80 1rrp n PHE 157 Cb 0.15 -0.11 -0.12 0.00 1.52 0.00 0.00 39.48 40.92 1rrp n PHE 157 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1rrp n GLU 158 N -1.05 1.19 -0.36 3.97 4.71 -1.26 -4.55 120.64 123.29 1rrp n GLU 158 Ca 0.00 0.02 0.27 0.00 -0.01 0.00 0.00 57.16 57.44 1rrp n GLU 158 Cb 0.02 -1.41 0.54 0.00 -1.01 0.00 0.00 31.44 29.58 1rrp n GLU 158 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1rrp h LYS 159 N 0.00 0.29 0.37 3.49 1.57 -1.58 0.24 116.57 120.96 1rrp h LYS 159 Ca -0.44 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1rrp h LYS 159 Cb 1.91 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 34.16 1rrp h LYS 159 CO 0.00 0.19 -0.20 -1.35 -0.57 0.00 0.00 179.45 177.52 1rrp h PRO 160 N 0.30 -0.52 -0.27 3.15 0.11 -1.80 0.13 132.00 133.10 1rrp h PRO 160 Ca 0.69 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.81 1rrp h PRO 160 Cb 1.84 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 33.06 1rrp h PRO 160 CO -0.40 -0.35 0.08 0.74 -0.21 0.00 0.00 178.00 177.86 1rrp h PHE 161 N -0.54 0.45 -0.04 0.65 0.04 -1.41 -2.39 116.94 113.69 1rrp h PHE 161 Ca -0.05 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.71 1rrp h PHE 161 Cb 0.43 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 1rrp h PHE 161 CO -0.07 0.49 -0.23 1.25 -0.60 0.00 0.00 178.31 179.15 1rrp h LEU 162 N 0.27 -0.70 -0.50 1.54 5.85 -0.94 0.49 115.31 121.32 1rrp h LEU 162 Ca 0.09 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.01 1rrp h LEU 162 Cb 0.26 0.30 -0.10 0.00 0.37 0.00 0.00 40.66 41.49 1rrp h LEU 162 CO -0.00 -0.30 -0.18 -0.25 -0.34 0.00 0.00 178.44 177.37 1rrp h TRP 163 N -0.35 -0.43 0.35 1.25 7.01 -0.62 -2.24 115.95 120.92 1rrp h TRP 163 Ca 0.07 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 1rrp h TRP 163 Cb 0.45 0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.78 1rrp h TRP 163 CO -0.29 -0.27 -0.17 -0.07 -2.79 0.00 0.00 178.44 174.85 1rrp h LEU 164 N -0.07 -0.39 -0.62 0.65 3.38 -0.84 -2.73 115.31 114.69 1rrp h LEU 164 Ca 0.24 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.23 1rrp h LEU 164 Cb 0.43 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1rrp h LEU 164 CO -0.55 -0.22 -0.37 0.00 0.09 0.00 0.00 178.44 177.39 1rrp n ALA 165 N -2.33 -0.40 -0.23 1.53 0.00 0.16 0.10 120.51 119.35 1rrp n ALA 165 Ca -0.10 0.53 -0.07 0.00 0.00 0.00 0.00 53.44 53.80 1rrp n ALA 165 Cb 0.22 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 1rrp n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rrp h ARG 166 N 0.00 -0.18 -0.50 0.00 3.08 -1.33 0.15 114.38 115.60 1rrp h ARG 166 Ca 0.10 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.23 1rrp h ARG 166 Cb 0.25 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 1rrp h ARG 166 CO -0.58 -0.12 0.16 0.87 -1.07 0.00 0.00 179.97 179.23 1rrp h LYS 167 N -0.18 0.32 0.85 0.04 1.79 -0.07 0.88 116.57 120.19 1rrp h LYS 167 Ca 0.21 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.62 1rrp h LYS 167 Cb 0.56 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1rrp h LYS 167 CO -0.72 0.21 -0.41 -0.07 -1.08 0.00 0.00 179.45 177.38 1rrp h LEU 168 N 0.33 -0.97 0.53 2.94 -0.00 0.18 -3.34 115.31 114.97 1rrp h LEU 168 Ca 0.25 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 58.13 1rrp h LEU 168 Cb 0.28 0.25 0.01 0.00 -0.00 0.00 0.00 40.66 41.20 1rrp h LEU 168 CO -0.27 -0.69 -0.25 0.40 -0.00 0.00 0.00 178.44 177.63 1rrp h ILE 169 N -1.16 0.00 0.00 1.22 1.08 -0.66 -3.48 117.51 114.51 1rrp h ILE 169 Ca -0.12 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1rrp h ILE 169 Cb 0.88 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1rrp h ILE 169 CO 0.19 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.26 1rrp n GLY 170 N -0.90 0.11 3.33 5.37 0.00 0.29 -5.09 105.19 108.30 1rrp n GLY 170 Ca -0.09 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.46 1rrp n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rrp s ASP 171 N -0.26 6.67 0.47 1.61 2.15 -1.22 -4.89 116.67 121.20 1rrp s ASP 171 Ca 0.00 -2.54 0.14 0.00 0.43 0.00 0.00 52.55 50.58 1rrp s ASP 171 Cb 0.00 -2.21 0.77 0.00 -0.30 0.00 0.00 42.92 41.18 1rrp s ASP 171 CO 0.00 -0.62 1.35 -0.65 -0.17 0.00 0.00 175.17 175.08 1rrp h PRO 172 N 7.97 0.00 -0.01 4.34 0.11 -1.98 0.79 132.00 143.21 1rrp h PRO 172 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1rrp h PRO 172 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1rrp h PRO 172 CO 0.80 0.00 -0.00 0.09 -0.21 0.00 0.00 178.00 178.68 1rrp n ASN 173 N -2.30 1.99 -4.48 -2.05 4.13 -1.26 -5.01 115.26 106.28 1rrp n ASN 173 Ca -0.01 -1.49 -0.38 0.00 1.68 0.00 0.00 54.58 54.37 1rrp n ASN 173 Cb 0.49 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.77 1rrp n ASN 173 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1rrp n LEU 174 N 0.66 0.96 -3.75 3.41 0.00 0.27 -4.97 117.00 113.59 1rrp n LEU 174 Ca 0.07 0.76 -0.13 0.00 0.00 0.00 0.00 56.01 56.71 1rrp n LEU 174 Cb 0.30 -1.19 -0.09 0.00 0.00 0.00 0.00 43.42 42.44 1rrp n LEU 174 CO 0.07 -2.93 0.04 -1.83 0.00 0.00 0.00 177.39 172.75 1rrp s GLU 175 N -2.09 0.58 0.25 1.96 -1.05 -1.26 -4.95 118.70 112.15 1rrp s GLU 175 Ca 0.69 0.11 -0.30 0.00 -0.15 0.00 0.00 54.97 55.32 1rrp s GLU 175 Cb -0.46 0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 33.41 1rrp s GLU 175 CO 0.54 -0.13 1.09 -0.06 0.95 0.00 0.00 175.26 177.64 1rrp s PHE 176 N -0.70 3.62 -0.27 4.83 0.40 -1.26 -2.52 117.98 122.08 1rrp s PHE 176 Ca -0.08 1.69 -0.01 0.00 -0.60 0.00 0.00 56.93 57.93 1rrp s PHE 176 Cb -0.04 -3.25 0.12 0.00 0.51 0.00 0.00 43.02 40.36 1rrp s PHE 176 CO 0.03 -0.47 0.27 0.14 0.70 0.00 0.00 175.22 175.89 1rrp s VAL 177 N -0.93 -0.36 0.00 -0.44 -7.23 -0.13 -4.95 120.40 106.36 1rrp s VAL 177 Ca 0.45 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 1rrp s VAL 177 Cb -0.31 -0.93 0.00 0.00 0.56 0.00 0.00 36.38 35.70 1rrp s VAL 177 CO 0.39 -0.44 0.00 0.00 -0.31 0.00 0.00 175.10 174.74 1rrp n ALA 178 N 5.31 0.00 -3.53 1.32 0.00 -1.26 -4.78 120.51 117.57 1rrp n ALA 178 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 1rrp n ALA 178 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 1rrp n ALA 178 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1rrp s MET 179 N 0.00 0.38 -0.38 0.00 1.75 -1.26 -4.60 119.30 115.19 1rrp s MET 179 Ca 0.00 0.82 -0.41 0.00 -1.25 0.00 0.00 55.69 54.85 1rrp s MET 179 Cb 0.00 0.35 -0.16 0.00 2.84 0.00 0.00 34.83 37.86 1rrp s MET 179 CO 0.00 -0.11 1.89 -2.30 -0.65 0.00 0.00 175.02 173.86 1rrp n PRO 180 N 4.56 0.67 -1.59 4.11 -0.02 -1.26 -4.81 135.00 136.66 1rrp n PRO 180 Ca -0.13 0.22 -0.32 0.00 -2.02 0.00 0.00 63.50 61.25 1rrp n PRO 180 Cb 0.54 -1.93 -0.05 0.00 -0.02 0.00 0.00 33.50 32.04 1rrp n PRO 180 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rrp n ALA 181 N 6.49 6.77 -0.99 3.55 0.00 -1.26 -5.00 120.51 130.06 1rrp n ALA 181 Ca 0.36 -3.37 -0.33 0.00 0.00 0.00 0.00 53.44 50.11 1rrp n ALA 181 Cb 0.08 -2.61 0.02 0.00 0.00 0.00 0.00 19.45 16.93 1rrp n ALA 181 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rrp n LEU 182 N 1.86 -4.04 -4.73 0.00 4.32 -1.26 -4.86 117.00 108.29 1rrp n LEU 182 Ca 0.58 0.40 -0.41 0.00 -0.02 0.00 0.00 56.01 56.56 1rrp n LEU 182 Cb 0.43 -0.70 -0.03 0.00 -1.62 0.00 0.00 43.42 41.50 1rrp n LEU 182 CO 0.52 -4.61 1.01 0.00 -1.22 0.00 0.00 177.39 173.09 1rrp s ALA 183 N -1.74 3.54 1.02 -1.18 0.00 -1.26 -5.03 121.76 117.12 1rrp s ALA 183 Ca 0.43 1.13 -0.11 0.00 0.00 0.00 0.00 51.96 53.41 1rrp s ALA 183 Cb -0.32 -3.50 0.16 0.00 0.00 0.00 0.00 23.12 19.46 1rrp s ALA 183 CO 0.63 -0.56 0.85 -0.35 0.00 0.00 0.00 175.76 176.33 1rrp n PRO 184 N 2.82 -1.08 -2.25 0.00 -0.04 -1.26 -5.09 135.00 128.11 1rrp n PRO 184 Ca 0.07 -1.32 -0.29 0.00 -0.04 0.00 0.00 63.50 61.92 1rrp n PRO 184 Cb 0.42 -0.93 0.01 0.00 -0.04 0.00 0.00 33.50 32.97 1rrp n PRO 184 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1rrp s PRO 185 N -4.87 3.40 -0.30 0.54 0.02 -1.26 -5.08 135.00 127.45 1rrp s PRO 185 Ca 0.49 0.40 -0.08 0.00 0.02 0.00 0.00 61.00 61.82 1rrp s PRO 185 Cb -0.02 -2.22 -0.00 0.00 0.02 0.00 0.00 34.50 32.28 1rrp s PRO 185 CO 0.35 -0.49 0.12 -1.21 -0.33 0.00 0.00 177.00 175.43 1rrp s GLU 186 N -5.00 3.25 -0.25 5.54 0.41 -1.26 -5.07 118.70 116.31 1rrp s GLU 186 Ca 0.52 -0.77 -0.00 0.00 -0.41 0.00 0.00 54.97 54.32 1rrp s GLU 186 Cb -0.11 -3.48 0.07 0.00 -1.78 0.00 0.00 34.13 28.84 1rrp s GLU 186 CO 0.49 -0.42 0.01 0.08 -0.49 0.00 0.00 175.26 174.93 1rrp s VAL 187 N 1.57 1.25 0.00 2.63 1.01 -1.26 -5.12 120.40 120.48 1rrp s VAL 187 Ca 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1rrp s VAL 187 Cb -0.17 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1rrp s VAL 187 CO 0.05 -0.29 0.00 1.33 0.00 0.00 0.00 175.10 176.18 1rrp n VAL 188 N 4.75 0.00 -1.09 2.92 0.24 -1.26 -5.05 118.33 118.84 1rrp n VAL 188 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1rrp n VAL 188 Cb 0.44 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 1rrp n VAL 188 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1rrp n MET 189 N -0.76 -2.17 -0.13 7.34 2.81 -1.26 -5.04 117.12 117.90 1rrp n MET 189 Ca 0.00 1.83 -0.25 0.00 -1.81 0.00 0.00 57.70 57.47 1rrp n MET 189 Cb 0.00 -1.65 -0.11 0.00 -0.71 0.00 0.00 33.22 30.75 1rrp n MET 189 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1rrp n ASP 190 N 0.70 1.96 0.00 7.83 2.03 -1.26 -4.51 116.55 123.30 1rrp n ASP 190 Ca 0.00 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1rrp n ASP 190 Cb 0.00 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 1rrp n ASP 190 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1rrp n PRO 191 N -3.86 0.00 0.01 -0.67 -0.02 -1.26 -0.55 135.00 128.65 1rrp n PRO 191 Ca -0.51 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 60.86 1rrp n PRO 191 Cb 0.92 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.42 1rrp n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rrp h ALA 192 N 0.00 0.58 -1.29 3.55 0.00 -1.98 -3.22 119.26 116.90 1rrp h ALA 192 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1rrp h ALA 192 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1rrp h ALA 192 CO 0.00 0.71 0.00 1.28 0.00 0.00 0.00 179.25 181.24 1rrp n LEU 193 N -3.92 0.00 0.26 0.00 7.99 -0.99 -0.42 117.00 119.91 1rrp n LEU 193 Ca -0.04 0.13 0.17 0.00 -0.01 0.00 0.00 56.01 56.26 1rrp n LEU 193 Cb 0.66 0.00 0.77 0.00 -0.11 0.00 0.00 43.42 44.74 1rrp n LEU 193 CO 0.49 0.00 1.00 0.00 -1.51 0.00 0.00 177.39 177.37 1rrp h ALA 194 N -1.02 1.00 -0.49 -1.18 0.00 -0.98 -2.66 119.26 113.93 1rrp h ALA 194 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1rrp h ALA 194 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1rrp h ALA 194 CO 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.05 1rrp h ALA 195 N 2.05 0.72 0.05 0.00 0.00 -0.75 -3.12 119.26 118.20 1rrp h ALA 195 Ca 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1rrp h ALA 195 Cb 0.33 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1rrp h ALA 195 CO 0.00 0.67 -0.56 0.37 0.00 0.00 0.00 179.25 179.74 1rrp h GLN 196 N 0.86 0.29 -1.04 0.00 5.75 -0.52 -3.15 115.11 117.30 1rrp h GLN 196 Ca 0.11 -0.38 0.30 0.00 -0.15 0.00 0.00 58.65 58.54 1rrp h GLN 196 Cb 0.78 0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.41 1rrp h GLN 196 CO 0.06 1.11 1.15 1.88 -2.65 0.00 0.00 178.83 180.38 1rrp h TYR 197 N -0.35 0.00 0.36 3.99 -1.99 -1.47 0.24 116.97 117.75 1rrp h TYR 197 Ca -0.08 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.63 1rrp h TYR 197 Cb 1.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.08 1rrp h TYR 197 CO 0.18 0.00 -0.17 0.93 -0.00 0.00 0.00 178.16 179.10 1rrp h GLU 198 N 0.00 -0.47 -0.20 4.88 5.08 -1.49 -3.21 114.58 119.17 1rrp h GLU 198 Ca 0.49 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.91 1rrp h GLU 198 Cb 2.79 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 32.11 1rrp h GLU 198 CO -0.01 -0.31 -0.18 1.25 -1.00 0.00 0.00 179.01 178.76 1rrp h HIS 199 N -1.07 -0.56 -0.15 4.33 -0.00 -0.61 -0.74 115.15 116.35 1rrp h HIS 199 Ca -0.05 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.40 1rrp h HIS 199 Cb 0.37 0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 28.05 1rrp h HIS 199 CO 0.01 -0.14 0.31 0.22 -0.00 0.00 0.00 177.93 178.33 1rrp h ASP 200 N -0.08 0.00 0.93 3.26 3.58 -1.73 0.34 116.42 122.72 1rrp h ASP 200 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1rrp h ASP 200 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1rrp h ASP 200 CO -0.23 0.00 0.00 -0.07 -2.88 0.00 0.00 179.24 176.06 1rrp h LEU 201 N 0.00 0.00 -0.41 2.28 -0.00 -1.13 -2.69 115.31 113.36 1rrp h LEU 201 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 1rrp h LEU 201 Cb 0.69 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.33 1rrp h LEU 201 CO -0.00 0.00 0.22 -0.33 -0.00 0.00 0.00 178.44 178.32 1rrp h GLU 202 N 0.00 0.58 -1.11 1.13 4.39 -0.24 -2.49 114.58 116.85 1rrp h GLU 202 Ca 0.00 -0.07 0.32 0.00 0.34 0.00 0.00 59.36 59.94 1rrp h GLU 202 Cb 0.46 -0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 28.89 1rrp h GLU 202 CO 0.00 0.48 0.70 0.28 -1.16 0.00 0.00 179.01 179.32 1rrp h VAL 203 N 0.53 0.39 0.00 3.13 2.07 -1.63 -2.71 116.25 118.04 1rrp h VAL 203 Ca 0.14 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1rrp h VAL 203 Cb 0.08 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1rrp h VAL 203 CO -0.02 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.63 1rrp n ALA 204 N -2.46 -0.09 0.00 1.67 0.00 -0.94 -3.77 120.51 114.91 1rrp n ALA 204 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1rrp n ALA 204 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.48 1rrp n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rrp n GLN 205 N -1.23 0.00 -0.28 0.00 10.64 -1.18 0.23 117.38 125.55 1rrp n GLN 205 Ca 0.00 0.14 0.08 0.00 -1.83 0.00 0.00 57.00 55.39 1rrp n GLN 205 Cb 0.00 -1.74 0.23 0.00 -0.86 0.00 0.00 30.24 27.87 1rrp n GLN 205 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1rrp n THR 206 N -1.06 0.76 -3.88 -0.39 -2.24 -1.03 -4.68 114.28 101.76 1rrp n THR 206 Ca 0.00 -0.70 -0.35 0.00 -2.27 0.00 0.00 64.05 60.73 1rrp n THR 206 Cb 0.24 0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 68.63 1rrp n THR 206 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1rrp s THR 207 N -1.38 2.96 0.30 4.28 2.01 0.62 -5.08 115.64 119.35 1rrp s THR 207 Ca 0.34 -1.85 -0.18 0.00 0.31 0.00 0.00 61.69 60.32 1rrp s THR 207 Cb 0.18 -2.92 -0.13 0.00 0.01 0.00 0.00 72.50 69.64 1rrp s THR 207 CO 0.22 -0.44 0.12 0.00 -0.69 0.00 0.00 174.62 173.84 1rrp n ALA 208 N 4.54 -2.66 -2.61 7.40 0.00 -1.26 -4.90 120.51 121.01 1rrp n ALA 208 Ca -0.06 0.13 -0.38 0.00 0.00 0.00 0.00 53.44 53.13 1rrp n ALA 208 Cb 0.42 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1rrp n ALA 208 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rrp s LEU 209 N 3.37 4.36 0.07 0.00 2.01 -1.26 -5.04 118.68 122.20 1rrp s LEU 209 Ca 0.49 0.91 -0.33 0.00 0.01 0.00 0.00 54.13 55.20 1rrp s LEU 209 Cb -0.55 -2.69 -0.13 0.00 0.01 0.00 0.00 46.19 42.83 1rrp s LEU 209 CO 0.50 0.12 1.73 -2.65 1.01 0.00 0.00 176.35 177.06 1rrp n PRO 210 N 2.95 2.29 0.00 1.29 -0.02 -1.26 -5.30 135.00 134.95 1rrp n PRO 210 Ca -0.09 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1rrp n PRO 210 Cb 0.52 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1rrp n PRO 210 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23