#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef s SER 2 N 0.00 0.23 -0.17 1.61 0.15 -1.26 -5.05 113.70 109.21 2eef s SER 2 Ca 0.00 0.29 -0.23 0.00 0.70 0.00 0.00 55.95 56.71 2eef s SER 2 Cb 0.00 0.20 -0.20 0.00 -1.71 0.00 0.00 66.02 64.30 2eef s SER 2 CO 0.00 -0.18 0.41 0.28 1.20 0.00 0.00 173.24 174.94 2eef h SER 3 N 7.67 0.00 -4.45 5.45 0.02 -2.14 -3.50 113.55 116.61 2eef h SER 3 Ca -0.32 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 59.98 2eef h SER 3 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2eef h SER 3 CO 0.32 1.21 -0.60 0.61 -1.14 0.00 0.00 176.83 177.23 2eef n GLY 4 N 1.53 -3.29 2.97 -3.77 0.00 -1.26 -5.01 105.19 96.35 2eef n GLY 4 Ca -0.20 0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2eef n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eef s SER 5 N -1.29 4.45 0.30 1.61 0.15 -1.26 -5.08 113.70 112.56 2eef s SER 5 Ca 0.03 -2.71 0.03 0.00 0.70 0.00 0.00 55.95 54.00 2eef s SER 5 Cb -0.01 -1.61 -0.06 0.00 -1.71 0.00 0.00 66.02 62.63 2eef s SER 5 CO 0.53 -0.28 0.08 -0.55 1.20 0.00 0.00 173.24 174.21 2eef s SER 6 N 0.14 1.83 -1.12 5.45 0.15 -1.26 -5.05 113.70 113.84 2eef s SER 6 Ca 0.15 -1.39 -0.22 0.00 0.70 0.00 0.00 55.95 55.19 2eef s SER 6 Cb -0.24 0.05 -0.09 0.00 -1.71 0.00 0.00 66.02 64.03 2eef s SER 6 CO -0.03 -0.68 1.92 0.61 1.20 0.00 0.00 173.24 176.27 2eef n GLY 7 N -0.59 1.39 3.02 9.45 0.00 -1.26 -4.83 105.19 112.37 2eef n GLY 7 Ca -0.01 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 2eef n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eef s ALA 8 N 9.57 3.44 -0.86 4.61 0.00 -1.26 -5.04 121.76 132.22 2eef s ALA 8 Ca 0.66 -3.26 -0.25 0.00 0.00 0.00 0.00 51.96 49.11 2eef s ALA 8 Cb 0.02 -2.40 -0.06 0.00 0.00 0.00 0.00 23.12 20.68 2eef s ALA 8 CO 0.13 -2.05 2.02 -1.83 0.00 0.00 0.00 175.76 174.03 2eef s GLU 9 N -0.16 2.40 1.01 0.00 -1.05 -1.26 -4.94 118.70 114.69 2eef s GLU 9 Ca 0.17 -0.10 -0.16 0.00 -0.15 0.00 0.00 54.97 54.73 2eef s GLU 9 Cb -0.23 -4.98 -0.01 0.00 -0.44 0.00 0.00 34.13 28.48 2eef s GLU 9 CO -0.02 -3.52 -0.11 0.43 0.95 0.00 0.00 175.26 172.99 2eef n SER 10 N 14.71 -3.04 -4.94 0.83 7.64 -1.26 -4.98 113.62 122.58 2eef n SER 10 Ca 0.40 0.16 -0.25 0.00 1.01 0.00 0.00 58.87 60.19 2eef n SER 10 Cb 0.47 -0.99 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 2eef n SER 10 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2eef s GLU 11 N -3.12 3.46 0.98 1.43 8.01 -1.26 -5.09 118.70 123.12 2eef s GLU 11 Ca 0.51 -0.54 -0.12 0.00 0.01 0.00 0.00 54.97 54.83 2eef s GLU 11 Cb -0.15 -2.90 0.18 0.00 -4.31 0.00 0.00 34.13 26.95 2eef s GLU 11 CO 0.70 0.45 1.08 -1.12 0.01 0.00 0.00 175.26 176.38 2eef s SER 12 N -3.41 2.58 0.55 -0.19 0.01 -1.26 -4.78 113.70 107.20 2eef s SER 12 Ca 0.36 1.62 0.06 0.00 1.31 0.00 0.00 55.95 59.30 2eef s SER 12 Cb -0.11 -2.27 0.06 0.00 0.21 0.00 0.00 66.02 63.91 2eef s SER 12 CO 0.29 -3.22 0.47 0.49 0.41 0.00 0.00 173.24 171.69 2eef n PHE 13 N -4.27 -0.90 -4.11 2.43 3.01 -1.26 -1.43 117.46 110.92 2eef n PHE 13 Ca 0.07 -2.25 -0.12 0.00 1.01 0.00 0.00 57.45 56.15 2eef n PHE 13 Cb 0.54 -0.46 -0.04 0.00 -0.01 0.00 0.00 39.48 39.51 2eef n PHE 13 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 2eef n VAL 14 N -1.85 0.00 -3.69 -4.37 0.24 0.36 -4.50 118.33 104.51 2eef n VAL 14 Ca 0.01 -1.52 -0.37 0.00 -2.04 0.00 0.00 64.34 60.43 2eef n VAL 14 Cb 0.61 0.80 -0.11 0.00 -1.47 0.00 0.00 33.84 33.67 2eef n VAL 14 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2eef s LEU 15 N 0.00 3.93 -0.25 1.34 1.43 -1.26 -3.40 118.68 120.48 2eef s LEU 15 Ca 0.25 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2eef s LEU 15 Cb 0.01 -2.06 0.33 0.00 0.03 0.00 0.00 46.19 44.49 2eef s LEU 15 CO 0.18 0.02 1.55 -0.67 0.23 0.00 0.00 176.35 177.66 2eef n ASP 16 N 4.56 3.85 -3.89 2.29 2.03 -1.16 -4.87 116.55 119.35 2eef n ASP 16 Ca -0.15 -2.87 -0.09 0.00 0.52 0.00 0.00 54.79 52.20 2eef n ASP 16 Cb 0.52 -0.73 -0.05 0.00 -0.72 0.00 0.00 41.12 40.14 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2eef s PHE 17 N -1.73 0.20 0.14 -0.67 -0.12 -1.26 -4.86 117.98 109.68 2eef s PHE 17 Ca 0.30 -0.56 -0.10 0.00 -0.05 0.00 0.00 56.93 56.52 2eef s PHE 17 Cb 0.25 0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 42.76 2eef s PHE 17 CO 0.05 -0.88 0.46 -1.12 -0.05 0.00 0.00 175.22 173.68 2eef s SER 18 N -2.95 6.65 0.35 1.98 0.01 -1.26 -5.04 113.70 113.44 2eef s SER 18 Ca 0.16 0.85 -0.29 0.00 1.31 0.00 0.00 55.95 57.98 2eef s SER 18 Cb 0.00 -2.20 -0.11 0.00 0.21 0.00 0.00 66.02 63.93 2eef s SER 18 CO 0.02 0.08 1.53 -1.10 0.41 0.00 0.00 173.24 174.17 2eef s GLN 19 N -2.26 4.11 0.00 12.44 -1.52 -1.26 -4.94 119.66 126.23 2eef s GLN 19 Ca 0.39 2.59 -0.24 0.00 -1.95 0.00 0.00 55.36 56.15 2eef s GLN 19 Cb -0.13 -2.98 -0.18 0.00 -0.22 0.00 0.00 33.01 29.50 2eef s GLN 19 CO 0.20 -0.57 1.30 -1.00 -0.25 0.00 0.00 175.29 174.97 2eef h PRO 20 N 3.57 0.15 -1.16 2.91 0.13 -1.81 -3.17 132.00 132.62 2eef h PRO 20 Ca -0.50 -0.08 0.36 0.00 -0.87 0.00 0.00 66.00 64.92 2eef h PRO 20 Cb 1.23 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 2eef h PRO 20 CO 0.69 0.59 0.72 0.66 -0.23 0.00 0.00 178.00 180.43 2eef h SER 21 N -0.29 0.36 -0.70 1.44 4.64 -1.75 -0.27 113.55 116.99 2eef h SER 21 Ca 0.01 0.14 0.27 0.00 -0.47 0.00 0.00 61.79 61.74 2eef h SER 21 Cb 0.56 0.11 -0.13 0.00 -0.31 0.00 0.00 62.40 62.63 2eef h SER 21 CO 0.01 -0.12 0.30 0.00 -0.87 0.00 0.00 176.83 176.16 2eef n ALA 22 N -2.44 0.64 -3.62 5.18 0.00 -1.20 -2.71 120.51 116.37 2eef n ALA 22 Ca 0.33 0.72 -0.39 0.00 0.00 0.00 0.00 53.44 54.10 2eef n ALA 22 Cb 1.18 -0.68 -0.09 0.00 0.00 0.00 0.00 19.45 19.86 2eef n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2eef s ASP 23 N -4.74 5.60 0.20 0.00 1.01 -0.11 -4.95 116.67 113.68 2eef s ASP 23 Ca -0.07 -2.27 -0.10 0.00 0.71 0.00 0.00 52.55 50.82 2eef s ASP 23 Cb 0.23 -1.95 0.25 0.00 1.01 0.00 0.00 42.92 42.45 2eef s ASP 23 CO 0.55 -0.57 1.76 0.22 0.21 0.00 0.00 175.17 177.34 2eef h TYR 24 N 7.92 0.43 0.12 4.23 3.20 -1.76 0.13 116.97 131.25 2eef h TYR 24 Ca -0.11 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2eef h TYR 24 Cb 1.03 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2eef h TYR 24 CO 0.68 0.14 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.21 2eef h LEU 25 N 0.44 -0.14 -1.40 2.82 -0.00 -1.92 0.43 115.31 115.54 2eef h LEU 25 Ca 0.29 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 58.34 2eef h LEU 25 Cb 0.32 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 2eef h LEU 25 CO -0.27 -0.06 0.81 -0.78 -0.00 0.00 0.00 178.44 178.14 2eef h ASP 26 N -0.25 0.00 0.00 -0.43 1.82 -1.94 -0.29 116.42 115.34 2eef h ASP 26 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 2eef h ASP 26 Cb 0.13 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.14 2eef h ASP 26 CO 0.03 0.00 -0.13 0.15 -1.61 0.00 0.00 179.24 177.68 2eef h PHE 27 N 0.00 0.00 -0.93 0.28 3.04 -0.65 -3.32 116.94 115.36 2eef h PHE 27 Ca 0.27 0.00 0.23 0.00 3.98 0.00 0.00 57.97 62.45 2eef h PHE 27 Cb 1.88 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 40.33 2eef h PHE 27 CO 0.00 0.17 0.63 0.07 -2.02 0.00 0.00 178.31 177.15 2eef h ARG 28 N -1.00 0.27 -0.93 1.11 0.11 0.69 0.13 114.38 114.76 2eef h ARG 28 Ca -0.01 -0.02 0.04 0.00 0.10 0.00 0.00 59.98 60.09 2eef h ARG 28 Cb 0.25 -0.06 -0.06 0.00 1.11 0.00 0.00 29.97 31.21 2eef h ARG 28 CO -0.01 0.18 0.60 -0.91 0.10 0.00 0.00 179.97 179.93 2eef h ASN 29 N 0.28 0.99 -0.11 0.08 2.35 -1.27 0.04 115.58 117.94 2eef h ASN 29 Ca 0.48 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 56.04 2eef h ASN 29 Cb 1.40 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.55 2eef h ASN 29 CO -0.14 0.67 -0.60 0.03 -1.65 0.00 0.00 177.43 175.74 2eef h ARG 30 N 1.15 0.72 0.00 0.81 2.47 -0.85 0.16 114.38 118.84 2eef h ARG 30 Ca 0.38 -0.49 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 2eef h ARG 30 Cb 0.04 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2eef h ARG 30 CO -0.13 1.11 0.00 -0.11 0.56 0.00 0.00 179.97 181.40 2eef n LEU 31 N -3.96 0.00 -0.08 3.04 7.94 -0.86 0.70 117.00 123.77 2eef n LEU 31 Ca -0.04 0.45 -0.10 0.00 -1.11 0.00 0.00 56.01 55.21 2eef n LEU 31 Cb 0.65 -0.45 -0.10 0.00 0.53 0.00 0.00 43.42 44.05 2eef n LEU 31 CO 0.50 -0.13 -1.03 1.67 -1.11 0.00 0.00 177.39 177.29 2eef n GLN 32 N -1.45 1.06 -0.04 1.96 7.27 -0.05 -3.12 117.38 123.00 2eef n GLN 32 Ca 0.06 0.05 -0.09 0.00 0.07 0.00 0.00 57.00 57.09 2eef n GLN 32 Cb 0.23 -1.36 -0.15 0.00 2.41 0.00 0.00 30.24 31.37 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2eef n ALA 33 N -2.78 1.49 0.33 1.69 0.00 0.55 -4.32 120.51 117.46 2eef n ALA 33 Ca -0.28 -0.92 0.07 0.00 0.00 0.00 0.00 53.44 52.31 2eef n ALA 33 Cb 0.90 -0.67 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 2eef n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2eef n ASP 34 N -2.97 1.22 -1.76 0.00 -0.08 0.22 -4.99 116.55 108.18 2eef n ASP 34 Ca -0.21 -0.43 -0.16 0.00 -1.51 0.00 0.00 54.79 52.48 2eef n ASP 34 Cb 1.08 1.29 -0.01 0.00 2.34 0.00 0.00 41.12 45.82 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2eef n HIS 35 N -1.62 -0.69 -3.65 -0.67 8.25 -0.80 -4.82 115.22 111.22 2eef n HIS 35 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 2eef n HIS 35 Cb 0.28 -3.22 -0.07 0.00 1.12 0.00 0.00 29.99 28.10 2eef n HIS 35 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eef s VAL 36 N -2.77 0.00 -0.28 1.59 0.11 -1.22 -2.65 120.40 115.17 2eef s VAL 36 Ca 0.00 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 2eef s VAL 36 Cb 0.00 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.97 2eef s VAL 36 CO 0.00 0.00 0.88 0.00 -3.33 0.00 0.00 175.10 172.65 2eef s LEU 38 N 1.24 4.35 0.00 0.00 2.96 -1.26 -0.77 118.68 125.20 2eef s LEU 38 Ca -0.07 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 2eef s LEU 38 Cb -0.04 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.07 2eef s LEU 38 CO -0.15 -0.70 0.00 1.21 -1.32 0.00 0.00 176.35 175.40 2eef n GLU 39 N 4.60 0.00 -4.34 1.98 2.13 0.00 -4.37 120.64 120.64 2eef n GLU 39 Ca 0.12 0.29 -0.19 0.00 0.66 0.00 0.00 57.16 58.05 2eef n GLU 39 Cb 0.43 -0.79 -0.14 0.00 0.27 0.00 0.00 31.44 31.21 2eef n GLU 39 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2eef s ASN 40 N -2.20 1.36 -0.07 4.31 4.22 -1.23 -3.20 114.94 118.13 2eef s ASN 40 Ca 0.00 -0.36 -0.02 0.00 -2.14 0.00 0.00 52.86 50.34 2eef s ASN 40 Cb 0.00 -0.10 0.03 0.00 1.28 0.00 0.00 41.25 42.47 2eef s ASN 40 CO 0.00 0.04 0.05 0.00 -2.04 0.00 0.00 177.10 175.15 2eef s VAL 42 N 2.10 3.32 0.01 0.00 -7.23 0.74 -4.99 120.40 114.35 2eef s VAL 42 Ca 0.04 -1.80 0.08 0.00 -1.81 0.00 0.00 61.98 58.49 2eef s VAL 42 Cb -0.13 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 2eef s VAL 42 CO -0.05 -0.29 -0.26 -0.22 -0.31 0.00 0.00 175.10 173.97 2eef s LEU 43 N -3.75 2.10 0.00 1.32 0.20 -1.26 -2.01 118.68 115.27 2eef s LEU 43 Ca 0.34 -0.52 0.03 0.00 0.69 0.00 0.00 54.13 54.67 2eef s LEU 43 Cb -0.05 -1.30 -0.01 0.00 -0.43 0.00 0.00 46.19 44.40 2eef s LEU 43 CO 0.21 0.29 0.11 0.29 -0.29 0.00 0.00 176.35 176.96 2eef n LYS 44 N 2.16 0.52 -1.61 1.98 5.02 0.14 -4.98 118.16 121.38 2eef n LYS 44 Ca -0.16 -1.83 -0.44 0.00 -2.02 0.00 0.00 58.31 53.86 2eef n LYS 44 Cb 0.51 1.21 -0.03 0.00 -0.02 0.00 0.00 35.03 36.70 2eef n LYS 44 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2eef n ASP 45 N -2.00 3.40 -4.15 4.39 5.68 -1.26 -2.40 116.55 120.21 2eef n ASP 45 Ca -0.00 0.44 -0.35 0.00 -0.50 0.00 0.00 54.79 54.38 2eef n ASP 45 Cb 0.33 -1.51 -0.06 0.00 -1.14 0.00 0.00 41.12 38.73 2eef n ASP 45 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2eef n LYS 46 N 8.28 -1.33 -3.48 0.11 5.02 -1.26 -4.85 118.16 120.65 2eef n LYS 46 Ca 0.28 0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.61 2eef n LYS 46 Cb 0.41 -4.72 -0.02 0.00 -0.02 0.00 0.00 35.03 30.68 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2eef s ALA 47 N -3.03 -1.69 0.22 7.82 0.00 -1.01 -0.73 121.76 123.34 2eef s ALA 47 Ca 0.68 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.34 2eef s ALA 47 Cb -0.40 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 2eef s ALA 47 CO 0.84 -0.75 0.11 0.96 0.00 0.00 0.00 175.76 176.92 2eef s ILE 48 N -3.46 0.28 -0.28 0.00 -4.36 -0.25 0.23 121.20 113.36 2eef s ILE 48 Ca 0.03 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.26 2eef s ILE 48 Cb -0.01 -2.54 0.08 0.00 1.25 0.00 0.00 42.46 41.24 2eef s ILE 48 CO -0.10 -0.03 0.72 0.00 0.24 0.00 0.00 174.94 175.77 2eef s ALA 49 N -3.95 -1.90 0.11 2.27 0.00 -0.85 -3.07 121.76 114.37 2eef s ALA 49 Ca 0.38 2.36 -0.25 0.00 0.00 0.00 0.00 51.96 54.45 2eef s ALA 49 Cb 0.07 -1.42 0.07 0.00 0.00 0.00 0.00 23.12 21.84 2eef s ALA 49 CO 0.12 -0.37 0.63 0.20 0.00 0.00 0.00 175.76 176.34 2eef s GLY 50 N 1.46 -0.61 -0.16 0.00 0.00 -0.97 -0.19 107.32 106.86 2eef s GLY 50 Ca -0.09 0.67 -0.00 0.00 0.00 0.00 0.00 44.72 45.30 2eef s GLY 50 CO -0.17 0.32 -0.14 -0.51 0.00 0.00 0.00 173.10 172.59 2eef s THR 51 N -3.25 2.74 -0.17 0.90 -4.23 -0.60 -1.35 115.64 109.67 2eef s THR 51 Ca -0.01 -0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 59.68 2eef s THR 51 Cb -0.01 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 2eef s THR 51 CO -0.09 0.51 0.08 -0.69 -0.54 0.00 0.00 174.62 173.90 2eef s VAL 52 N 0.85 5.00 0.13 2.29 1.01 0.32 -0.82 120.40 129.19 2eef s VAL 52 Ca -0.04 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 2eef s VAL 52 Cb -0.15 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2eef s VAL 52 CO -0.01 0.49 0.36 -0.75 0.00 0.00 0.00 175.10 175.19 2eef s LYS 53 N 0.11 3.61 0.11 2.72 2.47 0.05 -0.13 119.74 128.67 2eef s LYS 53 Ca 0.06 -0.11 -0.10 0.00 -1.56 0.00 0.00 55.97 54.27 2eef s LYS 53 Cb -0.12 -2.86 0.00 0.00 -1.46 0.00 0.00 37.83 33.39 2eef s LYS 53 CO 0.00 0.48 0.24 0.14 0.16 0.00 0.00 175.35 176.37 2eef s VAL 54 N -1.64 0.11 0.40 4.02 -7.23 0.08 -0.94 120.40 115.20 2eef s VAL 54 Ca 0.40 -1.14 -0.13 0.00 -1.81 0.00 0.00 61.98 59.31 2eef s VAL 54 Cb -0.12 -1.43 -0.07 0.00 0.56 0.00 0.00 36.38 35.31 2eef s VAL 54 CO 0.25 -0.52 0.79 -1.10 -0.31 0.00 0.00 175.10 174.21 2eef s GLN 55 N -3.88 3.88 -0.29 4.82 -1.52 -1.08 -2.17 119.66 119.42 2eef s GLN 55 Ca 0.07 0.61 -0.01 0.00 -1.95 0.00 0.00 55.36 54.08 2eef s GLN 55 Cb 0.04 -2.36 0.16 0.00 -0.22 0.00 0.00 33.01 30.63 2eef s GLN 55 CO -0.09 -0.01 2.16 -1.71 -0.25 0.00 0.00 175.29 175.39 2eef n ASN 56 N -1.04 6.32 -0.01 5.90 2.85 -1.26 -4.63 115.26 123.38 2eef n ASN 56 Ca 0.03 -2.99 -0.13 0.00 -0.11 0.00 0.00 54.58 51.38 2eef n ASN 56 Cb 0.54 -1.10 -0.07 0.00 1.24 0.00 0.00 39.78 40.39 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2eef h LEU 57 N 2.82 -1.42 0.00 1.20 3.38 -1.93 -3.44 115.31 115.92 2eef h LEU 57 Ca 0.27 0.18 -0.53 0.00 0.09 0.00 0.00 57.88 57.89 2eef h LEU 57 Cb 0.92 0.57 -0.10 0.00 0.09 0.00 0.00 40.66 42.14 2eef h LEU 57 CO 0.68 -0.44 -0.38 0.00 0.09 0.00 0.00 178.44 178.39 2eef n ALA 58 N -2.96 0.37 -0.02 1.53 0.00 -1.26 -5.04 120.51 113.13 2eef n ALA 58 Ca -0.04 -1.84 -0.00 0.00 0.00 0.00 0.00 53.44 51.55 2eef n ALA 58 Cb 0.37 0.99 -0.00 0.00 0.00 0.00 0.00 19.45 20.81 2eef n ALA 58 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2eef h PHE 59 N 1.18 -0.01 -3.86 0.00 0.04 -1.98 -3.46 116.94 108.84 2eef h PHE 59 Ca -0.34 -0.00 -0.49 0.00 2.80 0.00 0.00 57.97 59.94 2eef h PHE 59 Cb 1.03 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.19 2eef h PHE 59 CO 0.00 -0.01 0.42 -1.21 -0.60 0.00 0.00 178.31 176.92 2eef s GLU 60 N -1.31 4.50 -0.01 1.51 2.02 -1.26 -5.06 118.70 119.09 2eef s GLU 60 Ca -0.00 1.61 -0.03 0.00 0.02 0.00 0.00 54.97 56.57 2eef s GLU 60 Cb 0.00 -2.93 -0.00 0.00 0.10 0.00 0.00 34.13 31.30 2eef s GLU 60 CO 0.00 0.14 0.05 0.15 0.02 0.00 0.00 175.26 175.63 2eef s LYS 61 N -1.85 0.23 -0.61 1.61 1.02 -1.26 -4.77 119.74 114.11 2eef s LYS 61 Ca 0.49 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 56.29 2eef s LYS 61 Cb -0.26 0.09 0.15 0.00 -0.52 0.00 0.00 37.83 37.29 2eef s LYS 61 CO 0.33 -0.04 0.38 0.99 -0.92 0.00 0.00 175.35 176.09 2eef s THR 62 N -0.71 2.94 -0.25 2.17 2.01 -1.05 -5.01 115.64 115.74 2eef s THR 62 Ca -0.08 -3.58 -0.18 0.00 0.31 0.00 0.00 61.69 58.16 2eef s THR 62 Cb -0.05 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 2eef s THR 62 CO 0.00 -0.89 0.50 -0.69 -0.69 0.00 0.00 174.62 172.86 2eef s VAL 63 N -0.66 5.08 -0.13 3.82 1.01 -1.26 -2.71 120.40 125.55 2eef s VAL 63 Ca 0.20 0.87 -0.08 0.00 0.00 0.00 0.00 61.98 62.97 2eef s VAL 63 Cb -0.18 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.43 2eef s VAL 63 CO -0.06 0.11 0.32 -0.54 0.00 0.00 0.00 175.10 174.94 2eef s LYS 64 N 2.17 0.30 0.01 2.72 1.02 -1.08 -2.68 119.74 122.20 2eef s LYS 64 Ca 0.21 0.64 -0.25 0.00 0.02 0.00 0.00 55.97 56.58 2eef s LYS 64 Cb -0.16 -0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.06 2eef s LYS 64 CO 0.09 -0.15 0.79 0.42 -0.92 0.00 0.00 175.35 175.58 2eef s ILE 65 N 1.23 4.83 -0.44 2.17 -1.09 -1.04 -2.65 121.20 124.21 2eef s ILE 65 Ca -0.09 1.66 -0.08 0.00 -2.23 0.00 0.00 60.65 59.91 2eef s ILE 65 Cb -0.09 -4.13 0.10 0.00 -1.58 0.00 0.00 42.46 36.76 2eef s ILE 65 CO -0.10 0.30 0.28 -0.60 -1.23 0.00 0.00 174.94 173.60 2eef s ARG 66 N 0.33 2.46 0.10 2.79 3.52 -1.16 -2.83 118.95 124.16 2eef s ARG 66 Ca 0.40 -1.64 0.10 0.00 -0.13 0.00 0.00 55.73 54.46 2eef s ARG 66 Cb -0.20 -3.81 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 2eef s ARG 66 CO 0.23 -1.07 -0.24 1.41 -0.81 0.00 0.00 175.30 174.81 2eef s MET 67 N 1.35 1.62 0.09 5.12 1.75 -1.26 -1.63 119.30 126.33 2eef s MET 67 Ca 0.05 -1.24 0.02 0.00 -1.25 0.00 0.00 55.69 53.28 2eef s MET 67 Cb -0.24 -1.98 -0.04 0.00 2.84 0.00 0.00 34.83 35.41 2eef s MET 67 CO -0.00 0.48 -0.08 -0.08 -0.65 0.00 0.00 175.02 174.69 2eef s THR 68 N -1.01 0.73 0.00 10.11 -1.32 -0.97 -2.64 115.64 120.55 2eef s THR 68 Ca 0.14 -1.66 0.00 0.00 -1.21 0.00 0.00 61.69 58.96 2eef s THR 68 Cb -0.10 -1.35 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 2eef s THR 68 CO 0.06 -0.67 0.71 0.49 -2.21 0.00 0.00 174.62 172.99 2eef n PHE 69 N 0.46 0.00 -3.44 9.09 3.72 -1.26 -3.50 117.46 122.53 2eef n PHE 69 Ca -0.16 -0.24 -0.26 0.00 -0.05 0.00 0.00 57.45 56.74 2eef n PHE 69 Cb 0.59 -0.02 -0.09 0.00 -0.94 0.00 0.00 39.48 39.01 2eef n PHE 69 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2eef n ASP 70 N -0.24 1.65 -3.74 4.37 9.92 -1.25 -4.56 116.55 122.69 2eef n ASP 70 Ca 0.00 -2.95 -0.22 0.00 -0.53 0.00 0.00 54.79 51.09 2eef n ASP 70 Cb 0.30 -0.65 -0.05 0.00 -0.64 0.00 0.00 41.12 40.07 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2eef n THR 71 N 1.65 -0.82 -3.64 -3.53 -1.04 -1.23 0.19 114.28 105.86 2eef n THR 71 Ca 0.25 -0.34 -0.21 0.00 -2.04 0.00 0.00 64.05 61.71 2eef n THR 71 Cb 0.45 -0.78 0.05 0.00 -1.82 0.00 0.00 70.33 68.23 2eef n THR 71 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2eef n TRP 72 N -3.40 -2.09 -0.13 -1.42 7.02 -1.26 -4.92 117.44 111.23 2eef n TRP 72 Ca -0.19 0.88 -0.24 0.00 -1.02 0.00 0.00 57.50 56.93 2eef n TRP 72 Cb 0.44 -4.58 -0.11 0.00 -2.42 0.00 0.00 31.31 24.65 2eef n TRP 72 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2eef n LYS 73 N -4.32 0.61 -3.54 -0.99 4.76 0.49 -4.97 118.16 110.21 2eef n LYS 73 Ca -0.24 0.20 -0.11 0.00 -2.87 0.00 0.00 58.31 55.28 2eef n LYS 73 Cb 0.65 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.24 2eef n LYS 73 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2eef s SER 74 N -6.97 0.30 0.26 4.39 0.15 -1.26 -5.07 113.70 105.51 2eef s SER 74 Ca -0.36 0.47 0.09 0.00 0.70 0.00 0.00 55.95 56.84 2eef s SER 74 Cb 0.12 0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 65.34 2eef s SER 74 CO 0.54 -0.27 0.05 -0.72 1.20 0.00 0.00 173.24 174.04 2eef s TYR 75 N 2.50 2.81 -0.12 3.44 -0.85 -1.26 -4.29 117.35 119.58 2eef s TYR 75 Ca 0.05 -0.19 0.02 0.00 -0.52 0.00 0.00 57.07 56.42 2eef s TYR 75 Cb -0.14 -1.26 -0.01 0.00 0.38 0.00 0.00 41.96 40.94 2eef s TYR 75 CO -0.12 0.59 -0.17 0.99 -1.52 0.00 0.00 175.55 175.31 2eef s THR 76 N -2.27 2.65 -0.74 -3.49 2.01 -1.08 -4.96 115.64 107.76 2eef s THR 76 Ca 0.32 -0.81 -0.26 0.00 0.31 0.00 0.00 61.69 61.25 2eef s THR 76 Cb -0.07 -2.08 0.04 0.00 0.01 0.00 0.00 72.50 70.40 2eef s THR 76 CO 0.21 0.54 1.24 1.51 -0.69 0.00 0.00 174.62 177.44 2eef s ASP 77 N 0.33 6.18 -0.11 3.53 -4.77 -1.26 -4.07 116.67 116.50 2eef s ASP 77 Ca -0.14 -0.57 -0.20 0.00 -3.30 0.00 0.00 52.55 48.34 2eef s ASP 77 Cb -0.17 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.08 2eef s ASP 77 CO 0.07 -1.77 0.58 -0.36 0.70 0.00 0.00 175.17 174.38 2eef s PHE 78 N 5.47 3.53 0.12 2.11 0.08 -1.13 -4.93 117.98 123.23 2eef s PHE 78 Ca 0.34 1.03 -0.31 0.00 0.12 0.00 0.00 56.93 58.11 2eef s PHE 78 Cb -0.09 -2.67 -0.08 0.00 -0.57 0.00 0.00 43.02 39.61 2eef s PHE 78 CO 0.13 0.11 1.35 -1.25 -0.10 0.00 0.00 175.22 175.46 2eef s PRO 79 N 0.80 4.35 0.12 0.24 0.04 -1.26 -2.51 135.00 136.78 2eef s PRO 79 Ca 0.31 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.36 2eef s PRO 79 Cb -0.16 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 2eef s PRO 79 CO 0.13 -0.38 0.31 0.00 0.04 0.00 0.00 177.00 177.10 2eef n GLN 81 N 0.04 0.62 -4.73 0.00 1.13 -0.58 -4.84 117.38 109.01 2eef n GLN 81 Ca -0.04 -3.06 -0.33 0.00 -1.94 0.00 0.00 57.00 51.63 2eef n GLN 81 Cb 0.52 -0.21 -0.13 0.00 0.11 0.00 0.00 30.24 30.53 2eef n GLN 81 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2eef s TYR 82 N -2.52 2.83 -0.36 1.08 6.14 -1.26 -0.11 117.35 123.16 2eef s TYR 82 Ca 0.58 -0.39 -0.02 0.00 0.64 0.00 0.00 57.07 57.88 2eef s TYR 82 Cb -0.05 -1.79 0.08 0.00 0.42 0.00 0.00 41.96 40.62 2eef s TYR 82 CO 0.37 -0.02 0.10 0.08 0.64 0.00 0.00 175.55 176.72 2eef s VAL 83 N -0.06 3.12 -0.90 3.14 1.01 -0.71 -4.86 120.40 121.14 2eef s VAL 83 Ca -0.02 -1.75 -0.21 0.00 0.00 0.00 0.00 61.98 60.00 2eef s VAL 83 Cb -0.14 -2.99 0.10 0.00 0.00 0.00 0.00 36.38 33.35 2eef s VAL 83 CO 0.04 -0.42 1.18 -0.54 0.00 0.00 0.00 175.10 175.36 2eef s LYS 84 N 1.18 3.51 -0.17 2.72 1.02 -1.26 -4.53 119.74 122.21 2eef s LYS 84 Ca 0.02 -1.42 -0.08 0.00 0.02 0.00 0.00 55.97 54.52 2eef s LYS 84 Cb -0.21 -4.89 -0.04 0.00 -0.52 0.00 0.00 37.83 32.16 2eef s LYS 84 CO -0.03 -1.89 0.09 -0.51 -0.92 0.00 0.00 175.35 172.08 2eef s ASP 85 N 3.96 5.86 0.20 2.83 1.11 -1.08 -4.99 116.67 124.57 2eef s ASP 85 Ca 0.34 0.17 -0.05 0.00 0.18 0.00 0.00 52.55 53.20 2eef s ASP 85 Cb -0.06 -1.98 0.36 0.00 1.07 0.00 0.00 42.92 42.31 2eef s ASP 85 CO -0.06 0.22 1.12 0.41 1.18 0.00 0.00 175.17 178.04 2eef n THR 86 N 3.26 -0.30 0.04 -1.27 -1.04 -1.26 0.20 114.28 113.91 2eef n THR 86 Ca -0.17 1.63 -0.16 0.00 -2.04 0.00 0.00 64.05 63.31 2eef n THR 86 Cb 0.53 -2.27 -0.06 0.00 -1.82 0.00 0.00 70.33 66.70 2eef n THR 86 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 2eef h TYR 87 N 0.00 0.83 -3.58 -1.42 3.20 -2.00 -3.42 116.97 110.58 2eef h TYR 87 Ca 0.36 -0.43 -0.62 0.00 3.14 0.00 0.00 58.73 61.17 2eef h TYR 87 Cb 0.57 -0.10 -0.13 0.00 1.54 0.00 0.00 36.73 38.61 2eef h TYR 87 CO -0.53 1.25 0.41 0.00 -1.64 0.00 0.00 178.16 177.65 2eef s ALA 88 N -3.40 3.27 0.00 1.82 0.00 0.52 -4.21 121.76 119.76 2eef s ALA 88 Ca -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2eef s ALA 88 Cb 0.08 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2eef s ALA 88 CO 0.89 -2.00 0.00 0.41 0.00 0.00 0.00 175.76 175.06 2eef n GLY 89 N 5.00 0.30 3.49 0.00 0.00 -1.25 -2.63 105.19 110.09 2eef n GLY 89 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2eef n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eef n SER 90 N 0.00 1.55 -2.09 1.61 7.64 -1.26 -1.99 113.62 119.08 2eef n SER 90 Ca 0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2eef n SER 90 Cb 0.00 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 2eef n SER 90 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2eef n ASP 91 N 12.14 -0.79 -3.12 6.43 8.00 -1.26 -4.80 116.55 133.15 2eef n ASP 91 Ca 0.48 0.40 -0.17 0.00 0.71 0.00 0.00 54.79 56.21 2eef n ASP 91 Cb 0.27 -0.81 -0.05 0.00 -0.02 0.00 0.00 41.12 40.51 2eef n ASP 91 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2eef n ARG 92 N -2.01 0.71 -3.73 -1.24 1.85 -0.84 -4.13 116.66 107.27 2eef n ARG 92 Ca 0.00 -2.35 -0.12 0.00 -1.00 0.00 0.00 57.85 54.38 2eef n ARG 92 Cb 0.40 1.26 -0.13 0.00 -1.05 0.00 0.00 32.46 32.94 2eef n ARG 92 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2eef s ASP 93 N -2.71 -0.29 -0.06 2.89 -1.08 -0.92 -4.61 116.67 109.90 2eef s ASP 93 Ca 0.14 0.56 0.05 0.00 -0.52 0.00 0.00 52.55 52.78 2eef s ASP 93 Cb 0.01 0.45 -0.02 0.00 -1.46 0.00 0.00 42.92 41.90 2eef s ASP 93 CO 0.10 -0.16 -0.22 -0.89 0.52 0.00 0.00 175.17 174.51 2eef s THR 94 N 1.21 2.33 0.13 1.71 2.01 -1.26 -0.75 115.64 121.02 2eef s THR 94 Ca -0.09 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.01 2eef s THR 94 Cb -0.10 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 2eef s THR 94 CO -0.08 0.57 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.89 2eef s PHE 95 N -0.30 1.62 0.43 4.92 0.40 0.81 -1.73 117.98 124.14 2eef s PHE 95 Ca 0.01 -0.48 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 2eef s PHE 95 Cb -0.13 -0.85 -0.06 0.00 0.51 0.00 0.00 43.02 42.49 2eef s PHE 95 CO 0.02 0.22 0.05 -1.54 0.70 0.00 0.00 175.22 174.67 2eef s SER 96 N -2.33 4.03 -0.27 1.36 1.04 0.84 0.12 113.70 118.49 2eef s SER 96 Ca 0.10 -1.37 -0.22 0.00 0.48 0.00 0.00 55.95 54.93 2eef s SER 96 Cb -0.07 -0.23 0.08 0.00 0.10 0.00 0.00 66.02 65.90 2eef s SER 96 CO 0.04 -0.55 0.76 0.72 0.98 0.00 0.00 173.24 175.20 2eef s PHE 97 N -2.72 -0.81 -0.33 5.02 -0.12 -0.46 -1.53 117.98 117.03 2eef s PHE 97 Ca 0.31 1.85 -0.01 0.00 -0.05 0.00 0.00 56.93 59.03 2eef s PHE 97 Cb 0.07 0.38 0.11 0.00 -0.63 0.00 0.00 43.02 42.95 2eef s PHE 97 CO 0.16 -0.39 0.14 -0.51 -0.05 0.00 0.00 175.22 174.57 2eef s ASP 98 N 0.72 3.75 0.20 1.98 1.11 -1.26 -2.28 116.67 120.88 2eef s ASP 98 Ca -0.02 -1.79 -0.00 0.00 0.18 0.00 0.00 52.55 50.91 2eef s ASP 98 Cb -0.05 -0.74 -0.04 0.00 1.07 0.00 0.00 42.92 43.16 2eef s ASP 98 CO -0.06 -0.38 0.38 -0.63 1.18 0.00 0.00 175.17 175.66 2eef s ILE 99 N 1.45 5.22 -0.39 0.77 1.01 -1.17 -4.95 121.20 123.14 2eef s ILE 99 Ca 0.12 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 2eef s ILE 99 Cb -0.19 -3.74 0.10 0.00 0.01 0.00 0.00 42.46 38.64 2eef s ILE 99 CO -0.20 -0.18 0.17 -0.94 0.00 0.00 0.00 174.94 173.79 2eef s SER 100 N -3.22 5.18 0.66 3.58 1.04 -1.26 -1.10 113.70 118.58 2eef s SER 100 Ca 0.38 -1.93 -0.17 0.00 0.48 0.00 0.00 55.95 54.70 2eef s SER 100 Cb -0.11 -1.80 -0.15 0.00 0.10 0.00 0.00 66.02 64.06 2eef s SER 100 CO 0.29 -0.49 -0.34 0.18 0.98 0.00 0.00 173.24 173.85 2eef n LEU 101 N 4.58 -4.38 0.00 2.42 4.77 0.09 -4.89 117.00 119.58 2eef n LEU 101 Ca -0.03 0.49 -0.21 0.00 -0.03 0.00 0.00 56.01 56.23 2eef n LEU 101 Cb 0.42 -0.81 0.17 0.00 -2.33 0.00 0.00 43.42 40.87 2eef n LEU 101 CO 0.31 -5.13 0.42 -0.81 -1.33 0.00 0.00 177.39 170.86 2eef n PRO 102 N 1.80 -2.50 0.22 3.23 -0.04 -1.26 -4.80 135.00 131.65 2eef n PRO 102 Ca 0.05 -1.22 -0.15 0.00 -0.04 0.00 0.00 63.50 62.14 2eef n PRO 102 Cb 0.49 -1.14 -0.08 0.00 -0.04 0.00 0.00 33.50 32.73 2eef n PRO 102 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2eef h GLU 103 N 0.00 -0.50 -3.47 0.54 4.11 -1.98 -3.47 114.58 109.81 2eef h GLU 103 Ca -0.29 0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.14 2eef h GLU 103 Cb 0.88 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 30.14 2eef h GLU 103 CO 0.19 -0.33 -0.05 0.15 0.07 0.00 0.00 179.01 179.03 2eef s LYS 104 N -6.11 1.42 -0.13 1.06 1.02 -1.26 -5.00 119.74 110.74 2eef s LYS 104 Ca -0.16 -1.03 -0.05 0.00 0.02 0.00 0.00 55.97 54.75 2eef s LYS 104 Cb 0.05 0.49 0.06 0.00 -0.52 0.00 0.00 37.83 37.91 2eef s LYS 104 CO 0.64 -0.59 0.27 0.42 -0.92 0.00 0.00 175.35 175.17 2eef s ILE 105 N -3.93 -0.35 0.48 2.17 1.01 -1.26 -5.16 121.20 114.16 2eef s ILE 105 Ca 0.14 0.24 0.08 0.00 0.00 0.00 0.00 60.65 61.12 2eef s ILE 105 Cb -0.01 -0.45 0.03 0.00 0.01 0.00 0.00 42.46 42.05 2eef s ILE 105 CO 0.02 0.10 0.59 -1.10 0.00 0.00 0.00 174.94 174.55 2eef s GLN 106 N 2.19 2.54 0.51 2.79 -1.52 -1.26 -5.00 119.66 119.91 2eef s GLN 106 Ca -0.01 -1.51 0.18 0.00 -1.95 0.00 0.00 55.36 52.07 2eef s GLN 106 Cb -0.12 -2.58 1.29 0.00 -0.22 0.00 0.00 33.01 31.38 2eef s GLN 106 CO -0.09 -0.49 2.12 0.77 -0.25 0.00 0.00 175.29 177.35 2eef h SER 107 N 0.57 0.00 -0.16 5.90 0.02 -2.04 -2.34 113.55 115.50 2eef h SER 107 Ca -0.37 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.49 2eef h SER 107 Cb 1.28 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 2eef h SER 107 CO 0.47 0.06 0.13 0.00 -1.14 0.00 0.00 176.83 176.35 2eef n TYR 108 N -4.31 0.50 -3.36 3.45 4.11 -1.26 -4.64 117.16 111.65 2eef n TYR 108 Ca -0.03 -1.12 0.00 0.00 -0.00 0.00 0.00 57.90 56.75 2eef n TYR 108 Cb 0.14 -0.56 -0.03 0.00 -0.00 0.00 0.00 39.34 38.89 2eef n TYR 108 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 2eef s GLU 109 N -0.58 0.53 0.11 -3.48 2.02 -0.88 -4.94 118.70 111.48 2eef s GLU 109 Ca 0.10 1.09 -0.26 0.00 0.02 0.00 0.00 54.97 55.93 2eef s GLU 109 Cb 0.08 0.53 -0.07 0.00 0.10 0.00 0.00 34.13 34.77 2eef s GLU 109 CO 0.00 -0.47 0.79 0.50 0.02 0.00 0.00 175.26 176.10 2eef s ARG 110 N 2.82 4.55 -0.21 1.61 3.52 -1.26 -4.71 118.95 125.27 2eef s ARG 110 Ca 0.10 1.15 -0.00 0.00 -0.13 0.00 0.00 55.73 56.85 2eef s ARG 110 Cb -0.14 -3.32 0.06 0.00 -1.56 0.00 0.00 34.95 29.99 2eef s ARG 110 CO -0.19 0.41 -0.04 1.41 -0.81 0.00 0.00 175.30 176.08 2eef s MET 111 N -0.57 1.41 0.11 5.12 -2.45 -1.26 -3.52 119.30 118.14 2eef s MET 111 Ca 0.38 -0.79 -0.02 0.00 -1.25 0.00 0.00 55.69 54.02 2eef s MET 111 Cb -0.22 -2.39 -0.04 0.00 1.25 0.00 0.00 34.83 33.43 2eef s MET 111 CO 0.25 -0.57 0.04 -1.21 1.05 0.00 0.00 175.02 174.58 2eef s GLU 112 N 1.53 0.85 -0.09 4.11 0.41 -1.23 -3.23 118.70 121.05 2eef s GLU 112 Ca -0.04 -1.35 -0.06 0.00 -0.41 0.00 0.00 54.97 53.11 2eef s GLU 112 Cb -0.18 0.24 0.04 0.00 -1.78 0.00 0.00 34.13 32.45 2eef s GLU 112 CO -0.07 -0.23 0.22 -0.59 -0.49 0.00 0.00 175.26 174.11 2eef s PHE 113 N -4.00 -0.28 -0.12 1.61 -0.12 -1.25 -2.28 117.98 111.54 2eef s PHE 113 Ca 0.19 0.68 0.01 0.00 -0.05 0.00 0.00 56.93 57.75 2eef s PHE 113 Cb 0.07 0.05 0.02 0.00 -0.63 0.00 0.00 43.02 42.53 2eef s PHE 113 CO -0.02 -0.18 -0.13 0.00 -0.05 0.00 0.00 175.22 174.84 2eef s ALA 114 N 0.82 1.67 0.37 1.99 0.00 -0.65 -4.02 121.76 121.94 2eef s ALA 114 Ca -0.06 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 50.87 2eef s ALA 114 Cb -0.07 -0.93 -0.11 0.00 0.00 0.00 0.00 23.12 22.01 2eef s ALA 114 CO -0.05 -0.26 1.42 0.28 0.00 0.00 0.00 175.76 177.15 2eef n VAL 115 N 4.57 2.02 -3.80 0.00 0.31 -1.09 -2.97 118.33 117.37 2eef n VAL 115 Ca -0.17 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.36 2eef n VAL 115 Cb 0.50 -1.84 -0.14 0.00 -0.91 0.00 0.00 33.84 31.45 2eef n VAL 115 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2eef s TYR 116 N -1.11 2.28 -0.33 3.52 5.04 -1.08 -2.09 117.35 123.57 2eef s TYR 116 Ca 0.54 -2.24 -0.10 0.00 -2.44 0.00 0.00 57.07 52.82 2eef s TYR 116 Cb -0.50 -2.07 0.00 0.00 0.35 0.00 0.00 41.96 39.74 2eef s TYR 116 CO 0.63 -0.86 0.18 -0.47 -1.34 0.00 0.00 175.55 173.69 2eef s TYR 117 N 1.07 3.20 -0.17 4.97 5.04 -0.70 -2.64 117.35 128.13 2eef s TYR 117 Ca 0.12 -0.64 -0.08 0.00 -2.44 0.00 0.00 57.07 54.03 2eef s TYR 117 Cb -0.20 -2.40 -0.04 0.00 0.35 0.00 0.00 41.96 39.67 2eef s TYR 117 CO -0.14 -0.50 0.09 -2.00 -1.34 0.00 0.00 175.55 171.66 2eef s GLU 118 N 1.61 3.84 -0.20 4.97 -6.30 -1.10 -1.60 118.70 119.93 2eef s GLU 118 Ca 0.04 -0.27 -0.28 0.00 -2.50 0.00 0.00 54.97 51.96 2eef s GLU 118 Cb -0.18 -3.23 0.12 0.00 0.00 0.00 0.00 34.13 30.84 2eef s GLU 118 CO 0.07 0.42 0.99 0.00 0.02 0.00 0.00 175.26 176.76 2eef n ASN 120 N 1.29 -1.80 -2.47 0.00 3.02 -1.26 -0.23 115.26 113.81 2eef n ASN 120 Ca -0.12 -0.93 -0.16 0.00 -0.03 0.00 0.00 54.58 53.35 2eef n ASN 120 Cb 0.57 -3.37 -0.01 0.00 -0.61 0.00 0.00 39.78 36.36 2eef n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eef n GLY 121 N -1.75 -0.50 3.49 7.41 0.00 -1.26 -4.96 105.19 107.63 2eef n GLY 121 Ca -0.18 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 2eef n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eef s GLN 122 N -5.09 1.70 -0.07 1.61 -0.21 0.68 -5.15 119.66 113.13 2eef s GLN 122 Ca 0.02 -1.90 -0.01 0.00 0.02 0.00 0.00 55.36 53.49 2eef s GLN 122 Cb -0.01 -1.32 0.03 0.00 1.00 0.00 0.00 33.01 32.71 2eef s GLN 122 CO 0.03 0.01 0.00 0.99 -2.12 0.00 0.00 175.29 174.20 2eef s THR 123 N -2.91 0.38 -0.13 -0.19 2.01 -1.26 -2.37 115.64 111.16 2eef s THR 123 Ca 0.32 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.43 2eef s THR 123 Cb 0.05 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 2eef s THR 123 CO 0.15 0.26 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.93 2eef s TYR 124 N 1.96 2.89 -0.24 4.92 2.02 -0.63 -5.00 117.35 123.28 2eef s TYR 124 Ca 0.05 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 2eef s TYR 124 Cb -0.12 -1.87 0.05 0.00 -0.40 0.00 0.00 41.96 39.61 2eef s TYR 124 CO -0.05 -0.11 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.11 2eef s TRP 125 N 0.27 3.12 -0.55 2.71 0.52 -1.26 -1.72 118.94 122.03 2eef s TRP 125 Ca -0.07 -2.10 -0.16 0.00 0.02 0.00 0.00 56.10 53.78 2eef s TRP 125 Cb -0.15 -1.93 0.13 0.00 -1.15 0.00 0.00 33.47 30.36 2eef s TRP 125 CO 0.04 -0.85 0.53 0.34 0.02 0.00 0.00 176.95 177.03 2eef s ASP 126 N 1.16 6.20 -0.45 2.95 2.15 -0.89 -4.94 116.67 122.86 2eef s ASP 126 Ca -0.05 -1.76 0.03 0.00 0.43 0.00 0.00 52.55 51.21 2eef s ASP 126 Cb -0.18 -2.22 0.12 0.00 -0.30 0.00 0.00 42.92 40.34 2eef s ASP 126 CO -0.07 -0.89 0.19 -0.94 -0.17 0.00 0.00 175.17 173.28 2eef s SER 127 N 3.58 4.62 -0.12 -0.34 1.04 -1.26 -2.66 113.70 118.56 2eef s SER 127 Ca 0.05 -2.61 -0.02 0.00 0.48 0.00 0.00 55.95 53.85 2eef s SER 127 Cb -0.29 -1.66 0.02 0.00 0.10 0.00 0.00 66.02 64.18 2eef s SER 127 CO 0.03 -0.32 0.04 0.59 0.98 0.00 0.00 173.24 174.56 2eef n ASN 128 N 3.67 -0.91 -1.82 7.02 4.13 -1.26 -0.14 115.26 125.95 2eef n ASN 128 Ca 0.04 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.62 2eef n ASN 128 Cb 0.37 -0.90 0.00 0.00 -1.54 0.00 0.00 39.78 37.71 2eef n ASN 128 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2eef n ARG 129 N -2.25 -2.12 0.00 3.52 1.74 -1.26 -4.18 116.66 112.10 2eef n ARG 129 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2eef n ARG 129 Cb 0.43 -4.05 0.00 0.00 -1.02 0.00 0.00 32.46 27.82 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2eef n GLY 130 N -0.29 -1.30 0.06 -0.13 0.00 0.80 -5.09 105.19 99.24 2eef n GLY 130 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2eef n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eef n LYS 131 N -0.53 0.00 -3.60 1.61 5.02 -1.24 -5.01 118.16 114.42 2eef n LYS 131 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 2eef n LYS 131 Cb 0.00 -0.21 -0.02 0.00 -0.02 0.00 0.00 35.03 34.78 2eef n LYS 131 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2eef s ASN 132 N -2.35 -0.14 -0.73 4.39 2.20 -1.26 -4.76 114.94 112.29 2eef s ASN 132 Ca 0.00 0.03 -0.26 0.00 -0.94 0.00 0.00 52.86 51.70 2eef s ASN 132 Cb 0.00 0.14 -0.04 0.00 -2.00 0.00 0.00 41.25 39.35 2eef s ASN 132 CO 0.00 -0.22 1.95 -0.31 -2.94 0.00 0.00 177.10 175.59 2eef s TYR 133 N -2.16 1.66 -0.10 1.54 2.02 -1.26 -4.66 117.35 114.38 2eef s TYR 133 Ca 0.09 0.82 -0.30 0.00 -0.37 0.00 0.00 57.07 57.31 2eef s TYR 133 Cb -0.01 -4.01 -0.02 0.00 -0.40 0.00 0.00 41.96 37.52 2eef s TYR 133 CO -0.05 -2.06 1.09 0.50 -1.57 0.00 0.00 175.55 173.47 2eef s ARG 134 N 7.19 4.37 -0.32 -0.62 3.52 -1.26 -3.77 118.95 128.06 2eef s ARG 134 Ca 0.71 1.49 -0.00 0.00 -0.13 0.00 0.00 55.73 57.80 2eef s ARG 134 Cb -0.10 -3.57 0.07 0.00 -1.56 0.00 0.00 34.95 29.79 2eef s ARG 134 CO 0.12 -0.41 0.03 0.42 -0.81 0.00 0.00 175.30 174.65 2eef s ILE 135 N 2.28 2.82 0.33 4.11 1.01 -1.20 -3.00 121.20 127.55 2eef s ILE 135 Ca 0.51 -1.70 0.08 0.00 0.00 0.00 0.00 60.65 59.54 2eef s ILE 135 Cb -0.20 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 2eef s ILE 135 CO 0.18 -0.28 0.24 0.27 0.00 0.00 0.00 174.94 175.34 2eef s ILE 136 N 1.16 3.40 1.11 2.92 -4.36 -1.22 -4.77 121.20 119.45 2eef s ILE 136 Ca -0.01 -1.48 -0.16 0.00 -0.26 0.00 0.00 60.65 58.75 2eef s ILE 136 Cb -0.20 -3.12 0.24 0.00 1.25 0.00 0.00 42.46 40.63 2eef s ILE 136 CO -0.03 -0.19 1.09 -0.60 0.24 0.00 0.00 174.94 175.45 2eef s ARG 137 N -3.94 -0.49 0.06 0.37 3.52 -1.26 -0.49 118.95 116.72 2eef s ARG 137 Ca 0.39 0.26 0.01 0.00 -0.13 0.00 0.00 55.73 56.26 2eef s ARG 137 Cb -0.05 -1.65 -0.25 0.00 -1.56 0.00 0.00 34.95 31.43 2eef s ARG 137 CO 0.25 -3.29 1.06 0.00 -0.81 0.00 0.00 175.30 172.51 2eef h ALA 138 N -2.29 0.28 -0.72 6.12 0.00 -1.47 -3.27 119.26 117.92 2eef h ALA 138 Ca -0.51 -1.01 -0.03 0.00 0.00 0.00 0.00 54.91 53.36 2eef h ALA 138 Cb 1.32 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2eef h ALA 138 CO 0.47 1.16 0.32 1.05 0.00 0.00 0.00 179.25 182.25 2eef h GLU 139 N 0.04 1.05 0.02 0.00 4.11 -1.94 -3.01 114.58 114.85 2eef h GLU 139 Ca -0.14 -0.17 -0.00 0.00 0.07 0.00 0.00 59.36 59.12 2eef h GLU 139 Cb 1.93 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.00 2eef h GLU 139 CO 0.16 0.84 -0.01 -0.07 0.07 0.00 0.00 179.01 180.00 2eef h LEU 140 N 1.01 -0.02 -8.54 3.06 3.38 -1.96 -3.39 115.31 108.86 2eef h LEU 140 Ca 0.24 -0.05 -0.47 0.00 0.09 0.00 0.00 57.88 57.69 2eef h LEU 140 Cb 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2eef h LEU 140 CO -0.03 0.04 1.46 -0.75 0.09 0.00 0.00 178.44 179.26 2eef s LYS 141 N -5.97 2.34 0.06 1.13 2.47 -1.14 -4.95 119.74 113.68 2eef s LYS 141 Ca -0.13 0.99 0.03 0.00 -1.56 0.00 0.00 55.97 55.29 2eef s LYS 141 Cb 0.05 -4.50 -0.04 0.00 -1.46 0.00 0.00 37.83 31.88 2eef s LYS 141 CO 0.66 -3.05 0.05 0.45 0.16 0.00 0.00 175.35 173.62 2eef s SER 142 N 10.21 5.36 -0.30 1.43 0.15 -1.26 -4.95 113.70 124.34 2eef s SER 142 Ca 0.83 -0.03 -0.38 0.00 0.70 0.00 0.00 55.95 57.06 2eef s SER 142 Cb -0.15 -1.41 -0.14 0.00 -1.71 0.00 0.00 66.02 62.61 2eef s SER 142 CO 0.23 0.20 1.92 0.35 1.20 0.00 0.00 173.24 177.14 2eef n THR 143 N 0.71 0.28 -4.52 6.45 -2.24 -1.26 -4.93 114.28 108.76 2eef n THR 143 Ca -0.10 -0.12 -0.25 0.00 -2.27 0.00 0.00 64.05 61.31 2eef n THR 143 Cb 0.52 -1.36 -0.09 0.00 -2.10 0.00 0.00 70.33 67.30 2eef n THR 143 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2eef s GLN 144 N 4.59 1.87 -0.39 -0.78 0.74 -1.26 -5.11 119.66 119.33 2eef s GLN 144 Ca 1.03 -2.12 0.10 0.00 0.05 0.00 0.00 55.36 54.41 2eef s GLN 144 Cb -1.00 -0.77 0.31 0.00 1.10 0.00 0.00 33.01 32.64 2eef s GLN 144 CO 0.60 -0.38 0.72 0.41 -0.55 0.00 0.00 175.29 176.09 2eef n GLY 145 N -0.88 2.80 2.91 2.59 0.00 -1.26 -5.10 105.19 106.25 2eef n GLY 145 Ca -0.06 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 2eef n GLY 145 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2eef s MET 146 N -1.54 0.16 0.01 1.61 0.00 -1.26 -5.16 119.30 113.13 2eef s MET 146 Ca 0.36 -0.12 0.04 0.00 0.00 0.00 0.00 55.69 55.98 2eef s MET 146 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 34.83 34.98 2eef s MET 146 CO -0.10 0.03 -0.14 0.95 0.00 0.00 0.00 175.02 175.77 2eef s THR 147 N -0.17 1.07 -0.09 10.11 -4.23 -1.26 -5.14 115.64 115.93 2eef s THR 147 Ca -0.01 -0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 59.67 2eef s THR 147 Cb -0.02 -0.94 0.04 0.00 1.34 0.00 0.00 72.50 72.93 2eef s THR 147 CO -0.00 0.16 0.22 -0.54 -0.54 0.00 0.00 174.62 173.91 2eef s LYS 148 N -0.71 0.20 -0.02 3.99 -0.14 -1.26 -5.07 119.74 116.74 2eef s LYS 148 Ca 0.03 0.42 -0.25 0.00 -1.36 0.00 0.00 55.97 54.81 2eef s LYS 148 Cb -0.06 -0.04 -0.20 0.00 -1.68 0.00 0.00 37.83 35.85 2eef s LYS 148 CO 0.00 -0.12 1.23 -1.00 -0.76 0.00 0.00 175.35 174.71 2eef h PRO 149 N 6.71 -0.05 -6.35 -1.68 0.13 -2.04 -3.46 132.00 125.26 2eef h PRO 149 Ca -0.36 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.29 2eef h PRO 149 Cb 1.17 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.01 2eef h PRO 149 CO 0.38 0.42 -0.71 -2.39 -0.23 0.00 0.00 178.00 175.47 2eef n HIS 150 N -4.89 -1.00 0.02 1.56 1.44 -1.26 -4.71 115.22 106.39 2eef n HIS 150 Ca -0.08 0.54 -0.01 0.00 -2.01 0.00 0.00 57.72 56.15 2eef n HIS 150 Cb 0.25 -1.50 -0.00 0.00 0.12 0.00 0.00 29.99 28.86 2eef n HIS 150 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2eef n SER 151 N -1.86 0.93 0.00 4.39 2.88 -1.26 -5.15 113.62 113.55 2eef n SER 151 Ca 0.09 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2eef n SER 151 Cb 0.37 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2eef n SER 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eef n GLY 152 N 3.16 -1.86 3.77 0.46 0.00 -1.26 -4.97 105.19 104.48 2eef n GLY 152 Ca -0.02 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 2eef n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eef s PRO 153 N 0.00 3.92 -0.11 1.61 0.04 -1.26 -4.98 135.00 134.22 2eef s PRO 153 Ca 0.00 1.84 -0.18 0.00 0.04 0.00 0.00 61.00 62.70 2eef s PRO 153 Cb 0.00 -2.56 -0.27 0.00 0.04 0.00 0.00 34.50 31.71 2eef s PRO 153 CO 0.00 -0.44 0.58 0.22 0.04 0.00 0.00 177.00 177.41 2eef h ASP 154 N 2.38 0.34 -2.97 6.66 1.82 -2.08 -3.46 116.42 119.11 2eef h ASP 154 Ca -0.49 -0.85 -0.65 0.00 -0.39 0.00 0.00 57.03 54.66 2eef h ASP 154 Cb 1.24 -0.11 -0.08 0.00 0.68 0.00 0.00 39.33 41.06 2eef h ASP 154 CO 0.61 1.54 -0.54 -0.76 -1.61 0.00 0.00 179.24 178.49 2eef s LEU 155 N -7.65 4.11 0.00 2.28 1.43 -1.26 -5.23 118.68 112.35 2eef s LEU 155 Ca -0.20 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2eef s LEU 155 Cb 0.04 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.81 2eef s LEU 155 CO 0.76 0.26 0.00 0.61 0.23 0.00 0.00 176.35 178.21